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- 3_epc/displacements/group_5/reconstruction/aohamiltonian/pred_ham_std/src/deeph/__pycache__/__init__.cpython-312.pyc +0 -0
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3_epc/displacements/group_5/reconstruction/aohamiltonian/pred_ham_std/src/deeph/__pycache__/__init__.cpython-312.pyc
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3_epc/displacements/group_5/reconstruction/aohamiltonian/pred_ham_std/src/deeph/__pycache__/graph.cpython-312.pyc
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3_epc/displacements/group_5/reconstruction/aohamiltonian/pred_ham_std/src/deeph/__pycache__/kernel.cpython-312.pyc
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3_epc/displacements/group_5/reconstruction/aohamiltonian/pred_ham_std/src/deeph/__pycache__/rotate.cpython-312.pyc
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3_epc/displacements/out/comparison_100_1.txt
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|
3_epc/displacements/out/comparison_101_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 4 2 28.514011 8.721010 -0.000119 0.000000 0.000000000000 0.000000000000
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| 357 |
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8 4 3 28.514011 8.721010 -0.000118 0.000000 0.000000000000 0.000000000000
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| 358 |
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8 4 4 28.514011 8.721010 1288.895966 0.000000 0.000001467539 0.000000000000
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| 359 |
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8 4 5 28.514011 8.721010 1288.895966 0.000000 0.000001467539 0.000000000000
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| 360 |
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8 4 6 28.514011 8.721010 1288.895966 0.000000 0.000001467539 0.000000000000
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| 361 |
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8 5 1 28.514011 19.817923 -0.000121 0.000000 0.000000000000 0.000000000000
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| 362 |
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8 5 2 28.514011 19.817923 -0.000119 0.000000 0.000000000000 0.000000000000
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| 363 |
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8 5 3 28.514011 19.817923 -0.000118 0.000000 0.000000000000 0.000000000000
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| 364 |
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8 5 4 28.514011 19.817923 1288.895966 0.000000 0.101110495748 0.000000000000
|
| 365 |
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8 5 5 28.514011 19.817923 1288.895966 0.000000 0.101110495748 0.000000000000
|
| 366 |
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8 5 6 28.514011 19.817923 1288.895966 0.000000 0.101110495748 0.000000000000
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| 367 |
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8 6 1 28.514011 26.493357 -0.000121 0.000000 0.000000000000 0.000000000000
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| 368 |
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8 6 2 28.514011 26.493357 -0.000119 0.000000 0.000000000000 0.000000000000
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| 369 |
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8 6 3 28.514011 26.493357 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 370 |
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8 6 4 28.514011 26.493357 1288.895966 0.000000 0.114491548640 0.000000000000
|
| 371 |
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8 6 5 28.514011 26.493357 1288.895966 0.000000 0.114491548640 0.000000000000
|
| 372 |
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8 6 6 28.514011 26.493357 1288.895966 0.000000 0.114491548640 0.000000000000
|
| 373 |
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8 7 1 28.514011 27.058212 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 374 |
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8 7 2 28.514011 27.058212 -0.000119 0.000000 0.000000000000 0.000000000000
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| 375 |
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8 7 3 28.514011 27.058212 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 376 |
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8 7 4 28.514011 27.058212 1288.895966 0.000000 0.457416752437 0.000000000000
|
| 377 |
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8 7 5 28.514011 27.058212 1288.895966 0.000000 0.457416752437 0.000000000000
|
| 378 |
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8 7 6 28.514011 27.058212 1288.895966 0.000000 0.457416752437 0.000000000000
|
| 379 |
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8 8 1 28.514011 28.514011 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 380 |
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8 8 2 28.514011 28.514011 -0.000119 0.000000 0.000000000000 0.000000000000
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| 381 |
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8 8 3 28.514011 28.514011 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 382 |
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8 8 4 28.514011 28.514011 1288.895966 0.000000 0.015652698415 0.000000000000
|
| 383 |
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8 8 5 28.514011 28.514011 1288.895966 0.000000 0.015652698415 0.000000000000
|
| 384 |
+
8 8 6 28.514011 28.514011 1288.895966 0.000000 0.015652698415 0.000000000000
|
3_epc/displacements/out/comparison_102_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 -0.534489 -0.534489 -0.000121 0.000000 0.000000000000 0.000000000000
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|
3_epc/displacements/out/comparison_103_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 5 2 28.629947 21.533835 -0.000119 0.000000 0.000000000000 0.000000000000
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| 363 |
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8 5 3 28.629947 21.533835 -0.000118 0.000000 0.000000000000 0.000000000000
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| 364 |
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8 5 4 28.629947 21.533835 1288.895966 0.000000 0.099014578408 0.000000000000
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| 365 |
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8 5 5 28.629947 21.533835 1288.895966 0.000000 0.099014578408 0.000000000000
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| 366 |
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8 5 6 28.629947 21.533835 1288.895966 0.000000 0.099014578408 0.000000000000
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| 367 |
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8 6 1 28.629947 23.066195 -0.000121 0.000000 0.000000000000 0.000000000000
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| 368 |
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8 6 2 28.629947 23.066195 -0.000119 0.000000 0.000000000000 0.000000000000
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| 369 |
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8 6 3 28.629947 23.066195 -0.000118 0.000000 0.000000000000 0.000000000000
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| 370 |
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8 6 4 28.629947 23.066195 1288.895966 0.000000 0.111965591484 0.000000000000
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| 371 |
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8 6 5 28.629947 23.066195 1288.895966 0.000000 0.111965591484 0.000000000000
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| 372 |
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8 6 6 28.629947 23.066195 1288.895966 0.000000 0.111965591484 0.000000000000
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| 373 |
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8 7 1 28.629947 24.511731 -0.000121 0.000000 0.000000000000 0.000000000000
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| 374 |
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8 7 2 28.629947 24.511731 -0.000119 0.000000 0.000000000000 0.000000000000
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| 375 |
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8 7 3 28.629947 24.511731 -0.000118 0.000000 0.000000000000 0.000000000000
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| 376 |
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8 7 4 28.629947 24.511731 1288.895966 0.000000 0.204768006263 0.000000000000
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| 377 |
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8 7 5 28.629947 24.511731 1288.895966 0.000000 0.204768006263 0.000000000000
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| 378 |
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| 379 |
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8 8 1 28.629947 28.629947 -0.000121 0.000000 0.000000000000 0.000000000000
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| 380 |
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8 8 2 28.629947 28.629947 -0.000119 0.000000 0.000000000000 0.000000000000
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| 381 |
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8 8 3 28.629947 28.629947 -0.000118 0.000000 0.000000000000 0.000000000000
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| 382 |
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| 383 |
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8 8 5 28.629947 28.629947 1288.895966 0.000000 0.225513500053 0.000000000000
|
| 384 |
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8 8 6 28.629947 28.629947 1288.895966 0.000000 0.225513500053 0.000000000000
|
3_epc/displacements/out/comparison_104_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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|
3_epc/displacements/out/comparison_105_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 7 1 28.714409 28.399486 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 374 |
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8 7 2 28.714409 28.399486 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 375 |
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8 7 3 28.714409 28.399486 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 376 |
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8 7 4 28.714409 28.399486 1288.895966 0.000000 0.031978767942 0.000000000000
|
| 377 |
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8 7 5 28.714409 28.399486 1288.895966 0.000000 0.031978767942 0.000000000000
|
| 378 |
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8 7 6 28.714409 28.399486 1288.895966 0.000000 0.031978767942 0.000000000000
|
| 379 |
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8 8 1 28.714409 28.714409 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 380 |
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8 8 2 28.714409 28.714409 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 381 |
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8 8 3 28.714409 28.714409 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 382 |
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8 8 4 28.714409 28.714409 1288.895966 0.000000 0.172257232367 0.000000000000
|
| 383 |
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8 8 5 28.714409 28.714409 1288.895966 0.000000 0.172257232367 0.000000000000
|
| 384 |
+
8 8 6 28.714409 28.714409 1288.895966 0.000000 0.172257232367 0.000000000000
|
3_epc/displacements/out/comparison_106_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 1.160704 1.160704 -0.000121 0.000000 0.000000000000 0.000000000000
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| 2 |
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1 1 2 1.160704 1.160704 -0.000119 0.000000 0.000000000000 0.000000000000
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1 1 3 1.160704 1.160704 -0.000118 0.000000 0.000000000000 0.000000000000
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1 1 4 1.160704 1.160704 1288.895966 0.000000 0.099608966682 0.000000000000
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1 1 5 1.160704 1.160704 1288.895966 0.000000 0.099608966682 0.000000000000
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1 1 6 1.160704 1.160704 1288.895966 0.000000 0.099608966682 0.000000000000
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1 2 1 1.160704 1.160704 -0.000121 0.000000 0.000000000000 0.000000000000
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1 2 4 1.160704 1.160704 1288.895966 0.000000 0.099608966682 0.000000000000
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| 287 |
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8 8 5 28.045928 28.045928 1288.895966 0.000000 0.096193019690 0.000000000000
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| 384 |
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8 8 6 28.045928 28.045928 1288.895966 0.000000 0.096193019690 0.000000000000
|
3_epc/displacements/out/comparison_107_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 -0.534489 -0.534489 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 2 |
+
1 1 2 -0.534489 -0.534489 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 3 |
+
1 1 3 -0.534489 -0.534489 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 4 |
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1 1 4 -0.534489 -0.534489 1288.895966 0.000000 0.091418591644 0.000000000000
|
| 5 |
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1 1 5 -0.534489 -0.534489 1288.895966 0.000000 0.091418591644 0.000000000000
|
| 6 |
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1 1 6 -0.534489 -0.534489 1288.895966 0.000000 0.091418591644 0.000000000000
|
| 7 |
+
1 2 1 -0.534489 1.653448 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 8 |
+
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8 8 6 27.539176 27.539176 1288.895966 0.000000 0.325060549980 0.000000000000
|
3_epc/displacements/out/comparison_108_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 8 6 28.029847 28.029847 1288.895966 0.000000 0.242853560253 0.000000000000
|
3_epc/displacements/out/comparison_109_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 -2.266779 -2.266779 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 2 |
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1 1 2 -2.266779 -2.266779 -0.000119 0.000000 0.000000000000 0.000000000000
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1 1 3 -2.266779 -2.266779 -0.000118 0.000000 0.000000000000 0.000000000000
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1 1 4 -2.266779 -2.266779 1288.895966 0.000000 0.080752513168 0.000000000000
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1 1 5 -2.266779 -2.266779 1288.895966 0.000000 0.080752513168 0.000000000000
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1 1 6 -2.266779 -2.266779 1288.895966 0.000000 0.080752513168 0.000000000000
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1 2 1 -2.266779 -0.005444 -0.000121 0.000000 0.000000000000 0.000000000000
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1 2 2 -2.266779 -0.005444 -0.000119 0.000000 0.000000000000 0.000000000000
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1 2 3 -2.266779 -0.005444 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 10 |
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1 2 4 -2.266779 -0.005444 1288.895966 0.000000 0.000000355634 0.000000000000
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| 11 |
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1 2 5 -2.266779 -0.005444 1288.895966 0.000000 0.000000355634 0.000000000000
|
| 12 |
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1 2 6 -2.266779 -0.005444 1288.895966 0.000000 0.000000355634 0.000000000000
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1 3 1 -2.266779 10.583323 -0.000121 0.000000 0.000000000000 0.000000000000
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1 3 2 -2.266779 10.583323 -0.000119 0.000000 0.000000000000 0.000000000000
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| 15 |
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1 3 3 -2.266779 10.583323 -0.000118 0.000000 0.000000000000 0.000000000000
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| 16 |
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1 3 4 -2.266779 10.583323 1288.895966 0.000000 0.211832143206 0.000000000000
|
| 17 |
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1 3 5 -2.266779 10.583323 1288.895966 0.000000 0.211832143206 0.000000000000
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| 18 |
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1 3 6 -2.266779 10.583323 1288.895966 0.000000 0.211832143206 0.000000000000
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| 19 |
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1 4 1 -2.266779 10.583323 -0.000121 0.000000 0.000000000000 0.000000000000
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| 20 |
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1 4 2 -2.266779 10.583323 -0.000119 0.000000 0.000000000000 0.000000000000
|
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3_epc/displacements/out/comparison_10_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 6 1 28.029847 24.238372 -0.000121 0.000000 0.000000000000 0.000000000000
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8 6 5 28.029847 24.238372 1288.895966 0.000000 0.049205165564 0.000000000000
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8 8 6 28.029847 28.029847 1288.895966 0.000000 0.243879534535 0.000000000000
|
3_epc/displacements/out/comparison_110_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 -2.314467 -2.314467 -0.000121 0.000000 0.000000000000 0.000000000000
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| 2 |
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1 1 2 -2.314467 -2.314467 -0.000119 0.000000 0.000000000000 0.000000000000
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1 1 3 -2.314467 -2.314467 -0.000118 0.000000 0.000000000000 0.000000000000
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1 1 4 -2.314467 -2.314467 1288.895966 0.000000 0.039549990455 0.000000000000
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1 2 2 -2.314467 1.367893 -0.000119 0.000000 0.000000000000 0.000000000000
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1 2 3 -2.314467 1.367893 -0.000118 0.000000 0.000000000000 0.000000000000
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1 2 5 -2.314467 1.367893 1288.895966 0.000000 0.103288002755 0.000000000000
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1 2 6 -2.314467 1.367893 1288.895966 0.000000 0.103288002755 0.000000000000
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1 3 1 -2.314467 8.422347 -0.000121 0.000000 0.000000000000 0.000000000000
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1 3 2 -2.314467 8.422347 -0.000119 0.000000 0.000000000000 0.000000000000
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| 19 |
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1 4 1 -2.314467 9.432998 -0.000121 0.000000 0.000000000000 0.000000000000
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1 4 2 -2.314467 9.432998 -0.000119 0.000000 0.000000000000 0.000000000000
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1 4 4 -2.314467 9.432998 1288.895966 0.000000 0.188924425586 0.000000000000
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| 23 |
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1 4 6 -2.314467 9.432998 1288.895966 0.000000 0.188924425586 0.000000000000
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| 25 |
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1 5 1 -2.314467 20.576717 -0.000121 0.000000 0.000000000000 0.000000000000
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| 26 |
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1 5 2 -2.314467 20.576717 -0.000119 0.000000 0.000000000000 0.000000000000
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| 27 |
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1 5 3 -2.314467 20.576717 -0.000118 0.000000 0.000000000000 0.000000000000
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| 28 |
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1 5 4 -2.314467 20.576717 1288.895966 0.000000 0.053893275731 0.000000000000
|
| 29 |
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1 5 5 -2.314467 20.576717 1288.895966 0.000000 0.053893275731 0.000000000000
|
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3_epc/displacements/out/comparison_111_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 384 |
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8 8 6 28.714409 28.714409 1288.895966 0.000000 0.171329065910 0.000000000000
|
3_epc/displacements/out/comparison_112_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 0.637217 0.637217 -0.000121 0.000000 0.000000000000 0.000000000000
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1 6 4 0.637217 18.204805 1288.895966 0.000000 0.101487229157 0.000000000000
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|
3_epc/displacements/out/comparison_113_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 1 5 28.714409 -1.480397 1288.895966 0.000000 0.066842020775 0.000000000000
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| 342 |
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8 1 6 28.714409 -1.480397 1288.895966 0.000000 0.066842020775 0.000000000000
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| 343 |
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8 2 1 28.714409 3.169825 -0.000121 0.000000 0.000000000000 0.000000000000
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| 347 |
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8 2 5 28.714409 3.169825 1288.895966 0.000000 0.100976671790 0.000000000000
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8 3 5 28.714409 5.739087 1288.895966 0.000000 0.138945308393 0.000000000000
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8 4 5 28.714409 7.760147 1288.895966 0.000000 0.061304297732 0.000000000000
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8 5 1 28.714409 18.717585 -0.000121 0.000000 0.000000000000 0.000000000000
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8 5 2 28.714409 18.717585 -0.000119 0.000000 0.000000000000 0.000000000000
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| 363 |
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8 5 3 28.714409 18.717585 -0.000118 0.000000 0.000000000000 0.000000000000
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| 364 |
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8 5 4 28.714409 18.717585 1288.895966 0.000000 0.189637645925 0.000000000000
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| 365 |
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8 5 5 28.714409 18.717585 1288.895966 0.000000 0.189637645925 0.000000000000
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| 366 |
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8 5 6 28.714409 18.717585 1288.895966 0.000000 0.189637645925 0.000000000000
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| 367 |
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8 6 1 28.714409 21.836400 -0.000121 0.000000 0.000000000000 0.000000000000
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| 368 |
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8 6 2 28.714409 21.836400 -0.000119 0.000000 0.000000000000 0.000000000000
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| 369 |
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8 6 3 28.714409 21.836400 -0.000118 0.000000 0.000000000000 0.000000000000
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| 370 |
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8 6 4 28.714409 21.836400 1288.895966 0.000000 0.492312688654 0.000000000000
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| 371 |
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8 6 5 28.714409 21.836400 1288.895966 0.000000 0.492312688654 0.000000000000
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| 372 |
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8 6 6 28.714409 21.836400 1288.895966 0.000000 0.492312688654 0.000000000000
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| 373 |
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8 7 1 28.714409 28.399486 -0.000121 0.000000 0.000000000000 0.000000000000
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| 374 |
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8 7 2 28.714409 28.399486 -0.000119 0.000000 0.000000000000 0.000000000000
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| 375 |
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8 7 3 28.714409 28.399486 -0.000118 0.000000 0.000000000000 0.000000000000
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| 376 |
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8 7 4 28.714409 28.399486 1288.895966 0.000000 0.031986667442 0.000000000000
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| 377 |
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8 7 5 28.714409 28.399486 1288.895966 0.000000 0.031986667442 0.000000000000
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8 7 6 28.714409 28.399486 1288.895966 0.000000 0.031986667442 0.000000000000
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| 379 |
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8 8 1 28.714409 28.714409 -0.000121 0.000000 0.000000000000 0.000000000000
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| 380 |
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8 8 2 28.714409 28.714409 -0.000119 0.000000 0.000000000000 0.000000000000
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| 381 |
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8 8 3 28.714409 28.714409 -0.000118 0.000000 0.000000000000 0.000000000000
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| 382 |
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8 8 4 28.714409 28.714409 1288.895966 0.000000 0.171329003570 0.000000000000
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| 383 |
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8 8 5 28.714409 28.714409 1288.895966 0.000000 0.171329003570 0.000000000000
|
| 384 |
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8 8 6 28.714409 28.714409 1288.895966 0.000000 0.171329003570 0.000000000000
|
3_epc/displacements/out/comparison_114_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 -2.314467 -2.314467 -0.000121 0.000000 0.000000000000 0.000000000000
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|
3_epc/displacements/out/comparison_115_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 4 6 28.029847 9.432998 1288.895966 0.000000 0.062950481670 0.000000000000
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| 361 |
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8 5 1 28.029847 20.576717 -0.000121 0.000000 0.000000000000 0.000000000000
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| 362 |
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8 5 2 28.029847 20.576717 -0.000119 0.000000 0.000000000000 0.000000000000
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| 363 |
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8 5 3 28.029847 20.576717 -0.000118 0.000000 0.000000000000 0.000000000000
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| 364 |
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8 5 4 28.029847 20.576717 1288.895966 0.000000 0.063996514098 0.000000000000
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| 365 |
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8 5 5 28.029847 20.576717 1288.895966 0.000000 0.063996514098 0.000000000000
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| 366 |
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8 5 6 28.029847 20.576717 1288.895966 0.000000 0.063996514098 0.000000000000
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| 367 |
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8 6 1 28.029847 24.238372 -0.000121 0.000000 0.000000000000 0.000000000000
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| 368 |
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8 6 2 28.029847 24.238372 -0.000119 0.000000 0.000000000000 0.000000000000
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| 369 |
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8 6 3 28.029847 24.238372 -0.000118 0.000000 0.000000000000 0.000000000000
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| 370 |
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8 6 4 28.029847 24.238372 1288.895966 0.000000 0.049205165241 0.000000000000
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| 371 |
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8 6 5 28.029847 24.238372 1288.895966 0.000000 0.049205165241 0.000000000000
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| 372 |
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8 6 6 28.029847 24.238372 1288.895966 0.000000 0.049205165241 0.000000000000
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| 373 |
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8 7 1 28.029847 24.685424 -0.000121 0.000000 0.000000000000 0.000000000000
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| 374 |
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8 7 2 28.029847 24.685424 -0.000119 0.000000 0.000000000000 0.000000000000
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| 375 |
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8 7 3 28.029847 24.685424 -0.000118 0.000000 0.000000000000 0.000000000000
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| 376 |
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8 7 4 28.029847 24.685424 1288.895966 0.000000 0.344520904648 0.000000000000
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| 377 |
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8 7 5 28.029847 24.685424 1288.895966 0.000000 0.344520904648 0.000000000000
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| 378 |
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8 7 6 28.029847 24.685424 1288.895966 0.000000 0.344520904648 0.000000000000
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| 379 |
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8 8 1 28.029847 28.029847 -0.000121 0.000000 0.000000000000 0.000000000000
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| 380 |
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8 8 2 28.029847 28.029847 -0.000119 0.000000 0.000000000000 0.000000000000
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| 381 |
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8 8 3 28.029847 28.029847 -0.000118 0.000000 0.000000000000 0.000000000000
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| 382 |
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8 8 4 28.029847 28.029847 1288.895966 0.000000 0.243879827210 0.000000000000
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| 383 |
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8 8 5 28.029847 28.029847 1288.895966 0.000000 0.243879827210 0.000000000000
|
| 384 |
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8 8 6 28.029847 28.029847 1288.895966 0.000000 0.243879827210 0.000000000000
|
3_epc/displacements/out/comparison_116_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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|
3_epc/displacements/out/comparison_117_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 6 2 27.717954 23.504510 -0.000119 0.000000 0.000000000000 0.000000000000
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| 369 |
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8 6 3 27.717954 23.504510 -0.000118 0.000000 0.000000000000 0.000000000000
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| 370 |
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8 6 4 27.717954 23.504510 1288.895966 0.000000 0.188695539909 0.000000000000
|
| 371 |
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8 6 5 27.717954 23.504510 1288.895966 0.000000 0.188695539909 0.000000000000
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| 372 |
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8 6 6 27.717954 23.504510 1288.895966 0.000000 0.188695539909 0.000000000000
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| 373 |
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8 7 1 27.717954 24.918278 -0.000121 0.000000 0.000000000000 0.000000000000
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| 374 |
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8 7 2 27.717954 24.918278 -0.000119 0.000000 0.000000000000 0.000000000000
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| 375 |
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8 7 3 27.717954 24.918278 -0.000118 0.000000 0.000000000000 0.000000000000
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| 376 |
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8 7 4 27.717954 24.918278 1288.895966 0.000000 0.338050184126 0.000000000000
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| 377 |
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8 7 5 27.717954 24.918278 1288.895966 0.000000 0.338050184126 0.000000000000
|
| 378 |
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8 7 6 27.717954 24.918278 1288.895966 0.000000 0.338050184126 0.000000000000
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| 379 |
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8 8 1 27.717954 27.717954 -0.000121 0.000000 0.000000000000 0.000000000000
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| 380 |
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8 8 2 27.717954 27.717954 -0.000119 0.000000 0.000000000000 0.000000000000
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| 381 |
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8 8 3 27.717954 27.717954 -0.000118 0.000000 0.000000000000 0.000000000000
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| 382 |
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8 8 4 27.717954 27.717954 1288.895966 0.000000 0.145503862155 0.000000000000
|
| 383 |
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8 8 5 27.717954 27.717954 1288.895966 0.000000 0.145503862155 0.000000000000
|
| 384 |
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8 8 6 27.717954 27.717954 1288.895966 0.000000 0.145503862155 0.000000000000
|
3_epc/displacements/out/comparison_118_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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| 384 |
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8 8 6 28.714409 28.714409 1288.895966 0.000000 0.169914817347 0.000000000000
|
3_epc/displacements/out/comparison_119_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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8 7 4 28.045928 28.045928 1288.895966 0.000000 0.096193047962 0.000000000000
|
| 377 |
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8 7 5 28.045928 28.045928 1288.895966 0.000000 0.096193047962 0.000000000000
|
| 378 |
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8 7 6 28.045928 28.045928 1288.895966 0.000000 0.096193047962 0.000000000000
|
| 379 |
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8 8 1 28.045928 28.045928 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 380 |
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8 8 2 28.045928 28.045928 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 381 |
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8 8 3 28.045928 28.045928 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 382 |
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8 8 4 28.045928 28.045928 1288.895966 0.000000 0.096193047962 0.000000000000
|
| 383 |
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8 8 5 28.045928 28.045928 1288.895966 0.000000 0.096193047962 0.000000000000
|
| 384 |
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8 8 6 28.045928 28.045928 1288.895966 0.000000 0.096193047962 0.000000000000
|
3_epc/displacements/out/comparison_11_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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|
3_epc/displacements/out/comparison_120_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 -0.534489 -0.534489 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 2 |
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1 1 2 -0.534489 -0.534489 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 3 |
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1 1 3 -0.534489 -0.534489 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 4 |
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1 1 4 -0.534489 -0.534489 1288.895966 0.000000 0.094164518553 0.000000000000
|
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8 8 3 27.539176 27.539176 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 382 |
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8 8 4 27.539176 27.539176 1288.895966 0.000000 0.326656164695 0.000000000000
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| 383 |
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8 8 5 27.539176 27.539176 1288.895966 0.000000 0.326656164695 0.000000000000
|
| 384 |
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8 8 6 27.539176 27.539176 1288.895966 0.000000 0.326656164695 0.000000000000
|
3_epc/displacements/out/comparison_121_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 290 |
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7 7 5 28.399486 28.399486 1288.895966 0.000000 0.298967007232 0.000000000000
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8 3 6 28.714409 5.739087 1288.895966 0.000000 0.138945343433 0.000000000000
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8 4 1 28.714409 7.760147 -0.000121 0.000000 0.000000000000 0.000000000000
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8 4 5 28.714409 7.760147 1288.895966 0.000000 0.061304288607 0.000000000000
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8 4 6 28.714409 7.760147 1288.895966 0.000000 0.061304288607 0.000000000000
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8 5 1 28.714409 18.717585 -0.000121 0.000000 0.000000000000 0.000000000000
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8 5 2 28.714409 18.717585 -0.000119 0.000000 0.000000000000 0.000000000000
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| 363 |
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8 5 3 28.714409 18.717585 -0.000118 0.000000 0.000000000000 0.000000000000
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8 5 4 28.714409 18.717585 1288.895966 0.000000 0.189637738549 0.000000000000
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8 5 5 28.714409 18.717585 1288.895966 0.000000 0.189637738549 0.000000000000
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8 5 6 28.714409 18.717585 1288.895966 0.000000 0.189637738549 0.000000000000
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| 367 |
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8 6 1 28.714409 21.836400 -0.000121 0.000000 0.000000000000 0.000000000000
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| 368 |
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8 6 2 28.714409 21.836400 -0.000119 0.000000 0.000000000000 0.000000000000
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| 369 |
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8 6 3 28.714409 21.836400 -0.000118 0.000000 0.000000000000 0.000000000000
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8 6 4 28.714409 21.836400 1288.895966 0.000000 0.492312645726 0.000000000000
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| 371 |
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8 6 5 28.714409 21.836400 1288.895966 0.000000 0.492312645726 0.000000000000
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| 372 |
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8 6 6 28.714409 21.836400 1288.895966 0.000000 0.492312645726 0.000000000000
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| 373 |
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8 7 1 28.714409 28.399486 -0.000121 0.000000 0.000000000000 0.000000000000
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| 374 |
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8 7 2 28.714409 28.399486 -0.000119 0.000000 0.000000000000 0.000000000000
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| 375 |
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8 7 3 28.714409 28.399486 -0.000118 0.000000 0.000000000000 0.000000000000
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8 7 4 28.714409 28.399486 1288.895966 0.000000 0.031986674849 0.000000000000
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| 377 |
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8 7 5 28.714409 28.399486 1288.895966 0.000000 0.031986674849 0.000000000000
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| 379 |
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8 8 1 28.714409 28.714409 -0.000121 0.000000 0.000000000000 0.000000000000
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| 380 |
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8 8 2 28.714409 28.714409 -0.000119 0.000000 0.000000000000 0.000000000000
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| 381 |
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8 8 3 28.714409 28.714409 -0.000118 0.000000 0.000000000000 0.000000000000
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| 382 |
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8 8 4 28.714409 28.714409 1288.895966 0.000000 0.171328192074 0.000000000000
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| 383 |
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8 8 5 28.714409 28.714409 1288.895966 0.000000 0.171328192074 0.000000000000
|
| 384 |
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8 8 6 28.714409 28.714409 1288.895966 0.000000 0.171328192074 0.000000000000
|
3_epc/displacements/out/comparison_122_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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|
|
| 1 |
+
1 1 1 -3.134288 -3.134288 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 2 |
+
1 1 2 -3.134288 -3.134288 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 3 |
+
1 1 3 -3.134288 -3.134288 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 4 |
+
1 1 4 -3.134288 -3.134288 1288.895966 0.000000 0.007566490489 0.000000000000
|
| 5 |
+
1 1 5 -3.134288 -3.134288 1288.895966 0.000000 0.007566490489 0.000000000000
|
| 6 |
+
1 1 6 -3.134288 -3.134288 1288.895966 0.000000 0.007566490489 0.000000000000
|
| 7 |
+
1 2 1 -3.134288 4.716617 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 8 |
+
1 2 2 -3.134288 4.716617 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 9 |
+
1 2 3 -3.134288 4.716617 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 10 |
+
1 2 4 -3.134288 4.716617 1288.895966 0.000000 0.145021162783 0.000000000000
|
| 11 |
+
1 2 5 -3.134288 4.716617 1288.895966 0.000000 0.145021162783 0.000000000000
|
| 12 |
+
1 2 6 -3.134288 4.716617 1288.895966 0.000000 0.145021162783 0.000000000000
|
| 13 |
+
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3_epc/displacements/out/comparison_123_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 8 6 28.629947 28.629947 1288.895966 0.000000 0.224286456983 0.000000000000
|
3_epc/displacements/out/comparison_124_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 -2.314467 -2.314467 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 2 |
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1 1 2 -2.314467 -2.314467 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 3 |
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1 1 3 -2.314467 -2.314467 -0.000118 0.000000 0.000000000000 0.000000000000
|
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1 1 4 -2.314467 -2.314467 1288.895966 0.000000 0.039310271768 0.000000000000
|
| 5 |
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1 1 5 -2.314467 -2.314467 1288.895966 0.000000 0.039310271768 0.000000000000
|
| 6 |
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1 1 6 -2.314467 -2.314467 1288.895966 0.000000 0.039310271768 0.000000000000
|
| 7 |
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1 2 1 -2.314467 1.367893 -0.000121 0.000000 0.000000000000 0.000000000000
|
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1 2 2 -2.314467 1.367893 -0.000119 0.000000 0.000000000000 0.000000000000
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| 9 |
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1 2 3 -2.314467 1.367893 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 10 |
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1 2 4 -2.314467 1.367893 1288.895966 0.000000 0.103287849496 0.000000000000
|
| 11 |
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1 2 5 -2.314467 1.367893 1288.895966 0.000000 0.103287849496 0.000000000000
|
| 12 |
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1 2 6 -2.314467 1.367893 1288.895966 0.000000 0.103287849496 0.000000000000
|
| 13 |
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1 3 1 -2.314467 8.422347 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 14 |
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1 3 2 -2.314467 8.422347 -0.000119 0.000000 0.000000000000 0.000000000000
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| 15 |
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1 3 3 -2.314467 8.422347 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 16 |
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1 3 4 -2.314467 8.422347 1288.895966 0.000000 0.161356586170 0.000000000000
|
| 17 |
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1 3 5 -2.314467 8.422347 1288.895966 0.000000 0.161356586170 0.000000000000
|
| 18 |
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1 3 6 -2.314467 8.422347 1288.895966 0.000000 0.161356586170 0.000000000000
|
| 19 |
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1 4 1 -2.314467 9.432998 -0.000121 0.000000 0.000000000000 0.000000000000
|
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3_epc/displacements/out/comparison_125_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 8 6 27.539176 27.539176 1288.895966 0.000000 0.324756489428 0.000000000000
|
3_epc/displacements/out/comparison_126_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 1.160704 1.160704 -0.000121 0.000000 0.000000000000 0.000000000000
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| 2 |
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1 1 2 1.160704 1.160704 -0.000119 0.000000 0.000000000000 0.000000000000
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1 1 3 1.160704 1.160704 -0.000118 0.000000 0.000000000000 0.000000000000
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1 1 4 1.160704 1.160704 1288.895966 0.000000 0.099608933359 0.000000000000
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1 1 5 1.160704 1.160704 1288.895966 0.000000 0.099608933359 0.000000000000
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1 1 6 1.160704 1.160704 1288.895966 0.000000 0.099608933359 0.000000000000
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1 2 1 1.160704 1.160704 -0.000121 0.000000 0.000000000000 0.000000000000
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| 8 |
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1 2 2 1.160704 1.160704 -0.000119 0.000000 0.000000000000 0.000000000000
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| 9 |
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1 2 3 1.160704 1.160704 -0.000118 0.000000 0.000000000000 0.000000000000
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| 10 |
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1 2 4 1.160704 1.160704 1288.895966 0.000000 0.099608933359 0.000000000000
|
| 11 |
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1 2 5 1.160704 1.160704 1288.895966 0.000000 0.099608933359 0.000000000000
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| 12 |
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1 2 6 1.160704 1.160704 1288.895966 0.000000 0.099608933359 0.000000000000
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| 13 |
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1 3 1 1.160704 5.575865 -0.000121 0.000000 0.000000000000 0.000000000000
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1 3 2 1.160704 5.575865 -0.000119 0.000000 0.000000000000 0.000000000000
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| 15 |
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1 3 3 1.160704 5.575865 -0.000118 0.000000 0.000000000000 0.000000000000
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| 16 |
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1 3 4 1.160704 5.575865 1288.895966 0.000000 0.157483127145 0.000000000000
|
| 17 |
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1 3 5 1.160704 5.575865 1288.895966 0.000000 0.157483127145 0.000000000000
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| 18 |
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1 3 6 1.160704 5.575865 1288.895966 0.000000 0.157483127145 0.000000000000
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| 19 |
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1 4 1 1.160704 5.575865 -0.000121 0.000000 0.000000000000 0.000000000000
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| 20 |
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1 4 2 1.160704 5.575865 -0.000119 0.000000 0.000000000000 0.000000000000
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| 21 |
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1 4 3 1.160704 5.575865 -0.000118 0.000000 0.000000000000 0.000000000000
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| 22 |
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1 4 4 1.160704 5.575865 1288.895966 0.000000 0.157483127145 0.000000000000
|
| 23 |
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1 4 5 1.160704 5.575865 1288.895966 0.000000 0.157483127145 0.000000000000
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| 24 |
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1 4 6 1.160704 5.575865 1288.895966 0.000000 0.157483127145 0.000000000000
|
| 25 |
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1 5 1 1.160704 21.686897 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 26 |
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1 5 2 1.160704 21.686897 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 27 |
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1 5 3 1.160704 21.686897 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 28 |
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1 5 4 1.160704 21.686897 1288.895966 0.000000 0.131133492005 0.000000000000
|
| 29 |
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1 5 5 1.160704 21.686897 1288.895966 0.000000 0.131133492005 0.000000000000
|
| 30 |
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1 5 6 1.160704 21.686897 1288.895966 0.000000 0.131133492005 0.000000000000
|
| 31 |
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1 6 1 1.160704 21.686897 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 32 |
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1 6 2 1.160704 21.686897 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 33 |
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1 6 3 1.160704 21.686897 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 34 |
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1 6 4 1.160704 21.686897 1288.895966 0.000000 0.131133492005 0.000000000000
|
| 35 |
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1 6 5 1.160704 21.686897 1288.895966 0.000000 0.131133492005 0.000000000000
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|
3_epc/displacements/out/comparison_127_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 384 |
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8 8 6 30.270189 30.270189 1288.895966 0.000000 0.191981894540 0.000000000000
|
3_epc/displacements/out/comparison_128_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 -1.480397 -1.480397 -0.000121 0.000000 0.000000000000 0.000000000000
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|
3_epc/displacements/out/comparison_129_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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|
| 384 |
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8 8 6 28.029847 28.029847 1288.895966 0.000000 0.242586125168 0.000000000000
|
3_epc/displacements/out/comparison_12_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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|
3_epc/displacements/out/comparison_130_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 2 6 29.968265 -0.005444 1288.895966 0.000000 0.000001197193 0.000000000000
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| 349 |
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8 3 1 29.968265 10.583323 -0.000121 0.000000 0.000000000000 0.000000000000
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8 3 2 29.968265 10.583323 -0.000119 0.000000 0.000000000000 0.000000000000
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| 351 |
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8 3 3 29.968265 10.583323 -0.000118 0.000000 0.000000000000 0.000000000000
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| 352 |
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8 3 4 29.968265 10.583323 1288.895966 0.000000 0.031612915737 0.000000000000
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| 353 |
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8 3 5 29.968265 10.583323 1288.895966 0.000000 0.031612915737 0.000000000000
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| 354 |
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8 3 6 29.968265 10.583323 1288.895966 0.000000 0.031612915737 0.000000000000
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| 355 |
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8 4 1 29.968265 10.583323 -0.000121 0.000000 0.000000000000 0.000000000000
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8 4 3 29.968265 10.583323 -0.000118 0.000000 0.000000000000 0.000000000000
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8 4 4 29.968265 10.583323 1288.895966 0.000000 0.031612915737 0.000000000000
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| 359 |
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8 4 5 29.968265 10.583323 1288.895966 0.000000 0.031612915737 0.000000000000
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| 360 |
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8 4 6 29.968265 10.583323 1288.895966 0.000000 0.031612915737 0.000000000000
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| 361 |
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8 5 1 29.968265 21.936018 -0.000121 0.000000 0.000000000000 0.000000000000
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| 362 |
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8 5 2 29.968265 21.936018 -0.000119 0.000000 0.000000000000 0.000000000000
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| 363 |
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8 5 3 29.968265 21.936018 -0.000118 0.000000 0.000000000000 0.000000000000
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| 364 |
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8 5 4 29.968265 21.936018 1288.895966 0.000000 0.000000042076 0.000000000000
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| 365 |
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8 5 5 29.968265 21.936018 1288.895966 0.000000 0.000000042076 0.000000000000
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| 366 |
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8 5 6 29.968265 21.936018 1288.895966 0.000000 0.000000042076 0.000000000000
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| 367 |
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8 6 1 29.968265 21.936018 -0.000121 0.000000 0.000000000000 0.000000000000
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| 368 |
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8 6 2 29.968265 21.936018 -0.000119 0.000000 0.000000000000 0.000000000000
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| 369 |
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8 6 3 29.968265 21.936018 -0.000118 0.000000 0.000000000000 0.000000000000
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| 370 |
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8 6 4 29.968265 21.936018 1288.895966 0.000000 0.000000042076 0.000000000000
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| 371 |
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8 6 5 29.968265 21.936018 1288.895966 0.000000 0.000000042076 0.000000000000
|
| 372 |
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8 6 6 29.968265 21.936018 1288.895966 0.000000 0.000000042076 0.000000000000
|
| 373 |
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8 7 1 29.968265 22.291184 -0.000121 0.000000 0.000000000000 0.000000000000
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| 374 |
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8 7 2 29.968265 22.291184 -0.000119 0.000000 0.000000000000 0.000000000000
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| 375 |
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8 7 3 29.968265 22.291184 -0.000118 0.000000 0.000000000000 0.000000000000
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| 376 |
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8 7 4 29.968265 22.291184 1288.895966 0.000000 0.000000484413 0.000000000000
|
| 377 |
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8 7 5 29.968265 22.291184 1288.895966 0.000000 0.000000484413 0.000000000000
|
| 378 |
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8 7 6 29.968265 22.291184 1288.895966 0.000000 0.000000484413 0.000000000000
|
| 379 |
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8 8 1 29.968265 29.968265 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 380 |
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8 8 2 29.968265 29.968265 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 381 |
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8 8 3 29.968265 29.968265 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 382 |
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8 8 4 29.968265 29.968265 1288.895966 0.000000 0.388942100907 0.000000000000
|
| 383 |
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8 8 5 29.968265 29.968265 1288.895966 0.000000 0.388942100907 0.000000000000
|
| 384 |
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8 8 6 29.968265 29.968265 1288.895966 0.000000 0.388942100907 0.000000000000
|
3_epc/displacements/out/comparison_131_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 -2.314467 -2.314467 -0.000121 0.000000 0.000000000000 0.000000000000
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|
3_epc/displacements/out/comparison_132_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 4 6 28.714409 7.760147 1288.895966 0.000000 0.061304223266 0.000000000000
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| 361 |
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8 5 1 28.714409 18.717585 -0.000121 0.000000 0.000000000000 0.000000000000
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| 362 |
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8 5 2 28.714409 18.717585 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 363 |
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8 5 3 28.714409 18.717585 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 364 |
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8 5 4 28.714409 18.717585 1288.895966 0.000000 0.189637641244 0.000000000000
|
| 365 |
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8 5 5 28.714409 18.717585 1288.895966 0.000000 0.189637641244 0.000000000000
|
| 366 |
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8 5 6 28.714409 18.717585 1288.895966 0.000000 0.189637641244 0.000000000000
|
| 367 |
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8 6 1 28.714409 21.836400 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 368 |
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8 6 2 28.714409 21.836400 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 369 |
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8 6 3 28.714409 21.836400 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 370 |
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8 6 4 28.714409 21.836400 1288.895966 0.000000 0.492316783043 0.000000000000
|
| 371 |
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8 6 5 28.714409 21.836400 1288.895966 0.000000 0.492316783043 0.000000000000
|
| 372 |
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8 6 6 28.714409 21.836400 1288.895966 0.000000 0.492316783043 0.000000000000
|
| 373 |
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8 7 1 28.714409 28.399486 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 374 |
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8 7 2 28.714409 28.399486 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 375 |
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8 7 3 28.714409 28.399486 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 376 |
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8 7 4 28.714409 28.399486 1288.895966 0.000000 0.031980158011 0.000000000000
|
| 377 |
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8 7 5 28.714409 28.399486 1288.895966 0.000000 0.031980158011 0.000000000000
|
| 378 |
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8 7 6 28.714409 28.399486 1288.895966 0.000000 0.031980158011 0.000000000000
|
| 379 |
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8 8 1 28.714409 28.714409 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 380 |
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8 8 2 28.714409 28.714409 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 381 |
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8 8 3 28.714409 28.714409 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 382 |
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8 8 4 28.714409 28.714409 1288.895966 0.000000 0.169915600751 0.000000000000
|
| 383 |
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8 8 5 28.714409 28.714409 1288.895966 0.000000 0.169915600751 0.000000000000
|
| 384 |
+
8 8 6 28.714409 28.714409 1288.895966 0.000000 0.169915600751 0.000000000000
|
3_epc/displacements/out/comparison_133_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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1 1 1 -1.480397 -1.480397 -0.000121 0.000000 0.000000000000 0.000000000000
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| 2 |
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8 8 6 28.714409 28.714409 1288.895966 0.000000 0.171328200135 0.000000000000
|
3_epc/displacements/out/comparison_134_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 6 4 28.045928 21.686897 1288.895966 0.000000 0.377053633203 0.000000000000
|
| 371 |
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8 6 5 28.045928 21.686897 1288.895966 0.000000 0.377053633203 0.000000000000
|
| 372 |
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8 6 6 28.045928 21.686897 1288.895966 0.000000 0.377053633203 0.000000000000
|
| 373 |
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8 7 1 28.045928 28.045928 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 374 |
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8 7 2 28.045928 28.045928 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 375 |
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8 7 3 28.045928 28.045928 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 376 |
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8 7 4 28.045928 28.045928 1288.895966 0.000000 0.096193046292 0.000000000000
|
| 377 |
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8 7 5 28.045928 28.045928 1288.895966 0.000000 0.096193046292 0.000000000000
|
| 378 |
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8 7 6 28.045928 28.045928 1288.895966 0.000000 0.096193046292 0.000000000000
|
| 379 |
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8 8 1 28.045928 28.045928 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 380 |
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8 8 2 28.045928 28.045928 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 381 |
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8 8 3 28.045928 28.045928 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 382 |
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8 8 4 28.045928 28.045928 1288.895966 0.000000 0.096193046292 0.000000000000
|
| 383 |
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8 8 5 28.045928 28.045928 1288.895966 0.000000 0.096193046292 0.000000000000
|
| 384 |
+
8 8 6 28.045928 28.045928 1288.895966 0.000000 0.096193046292 0.000000000000
|
3_epc/displacements/out/comparison_135_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
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8 8 6 27.539176 27.539176 1288.895966 0.000000 0.324756489415 0.000000000000
|
3_epc/displacements/out/comparison_136_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 -2.314467 -2.314467 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 2 |
+
1 1 2 -2.314467 -2.314467 -0.000119 0.000000 0.000000000000 0.000000000000
|
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8 8 5 28.029847 28.029847 1288.895966 0.000000 0.242586652784 0.000000000000
|
| 384 |
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8 8 6 28.029847 28.029847 1288.895966 0.000000 0.242586652784 0.000000000000
|
3_epc/displacements/out/comparison_137_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 8 6 28.629947 28.629947 1288.895966 0.000000 0.224286457000 0.000000000000
|
3_epc/displacements/out/comparison_138_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 -3.134288 -3.134288 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 2 |
+
1 1 2 -3.134288 -3.134288 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 3 |
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1 1 3 -3.134288 -3.134288 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 4 |
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1 1 4 -3.134288 -3.134288 1288.895966 0.000000 0.007566490489 0.000000000000
|
| 5 |
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1 1 5 -3.134288 -3.134288 1288.895966 0.000000 0.007566490489 0.000000000000
|
| 6 |
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1 1 6 -3.134288 -3.134288 1288.895966 0.000000 0.007566490489 0.000000000000
|
| 7 |
+
1 2 1 -3.134288 4.716617 -0.000121 0.000000 0.000000000000 0.000000000000
|
| 8 |
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1 2 2 -3.134288 4.716617 -0.000119 0.000000 0.000000000000 0.000000000000
|
| 9 |
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1 2 3 -3.134288 4.716617 -0.000118 0.000000 0.000000000000 0.000000000000
|
| 10 |
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1 2 4 -3.134288 4.716617 1288.895966 0.000000 0.145021162723 0.000000000000
|
| 11 |
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1 2 5 -3.134288 4.716617 1288.895966 0.000000 0.145021162723 0.000000000000
|
| 12 |
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1 2 6 -3.134288 4.716617 1288.895966 0.000000 0.145021162723 0.000000000000
|
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3_epc/displacements/out/comparison_139_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 8 6 28.029847 28.029847 1288.895966 0.000000 0.243879826861 0.000000000000
|
3_epc/displacements/out/comparison_13_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 -5.053141 -5.053141 -0.000121 0.000000 0.000000000000 0.000000000000
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| 2 |
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1 1 2 -5.053141 -5.053141 -0.000119 0.000000 0.000000000000 0.000000000000
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1 1 3 -5.053141 -5.053141 -0.000118 0.000000 0.000000000000 0.000000000000
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1 1 4 -5.053141 -5.053141 1288.895966 0.000000 0.001840617021 0.000000000000
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1 2 2 -5.053141 4.035566 -0.000119 0.000000 0.000000000000 0.000000000000
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1 2 3 -5.053141 4.035566 -0.000118 0.000000 0.000000000000 0.000000000000
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1 2 4 -5.053141 4.035566 1288.895966 0.000000 0.127578009683 0.000000000000
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1 3 1 -5.053141 11.063767 -0.000121 0.000000 0.000000000000 0.000000000000
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1 3 3 -5.053141 11.063767 -0.000118 0.000000 0.000000000000 0.000000000000
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1 3 4 -5.053141 11.063767 1288.895966 0.000000 0.166239375432 0.000000000000
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1 3 5 -5.053141 11.063767 1288.895966 0.000000 0.166239375432 0.000000000000
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| 18 |
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1 3 6 -5.053141 11.063767 1288.895966 0.000000 0.166239375432 0.000000000000
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1 4 1 -5.053141 11.063767 -0.000121 0.000000 0.000000000000 0.000000000000
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| 20 |
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1 4 2 -5.053141 11.063767 -0.000119 0.000000 0.000000000000 0.000000000000
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| 21 |
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1 4 3 -5.053141 11.063767 -0.000118 0.000000 0.000000000000 0.000000000000
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1 4 4 -5.053141 11.063767 1288.895966 0.000000 0.166239375432 0.000000000000
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| 23 |
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1 4 5 -5.053141 11.063767 1288.895966 0.000000 0.166239375432 0.000000000000
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| 24 |
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1 4 6 -5.053141 11.063767 1288.895966 0.000000 0.166239375432 0.000000000000
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| 25 |
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1 5 1 -5.053141 21.747775 -0.000121 0.000000 0.000000000000 0.000000000000
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1 5 2 -5.053141 21.747775 -0.000119 0.000000 0.000000000000 0.000000000000
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| 27 |
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3_epc/displacements/out/comparison_140_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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8 8 6 27.539176 27.539176 1288.895966 0.000000 0.326656152618 0.000000000000
|
3_epc/displacements/out/comparison_141_1.txt
ADDED
|
@@ -0,0 +1,384 @@
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| 1 |
+
1 1 1 1.160704 1.160704 -0.000121 0.000000 0.000000000000 0.000000000000
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| 2 |
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1 1 2 1.160704 1.160704 -0.000119 0.000000 0.000000000000 0.000000000000
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1 1 3 1.160704 1.160704 -0.000118 0.000000 0.000000000000 0.000000000000
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1 1 4 1.160704 1.160704 1288.895966 0.000000 0.099608941053 0.000000000000
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1 1 5 1.160704 1.160704 1288.895966 0.000000 0.099608941053 0.000000000000
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1 1 6 1.160704 1.160704 1288.895966 0.000000 0.099608941053 0.000000000000
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1 2 1 1.160704 1.160704 -0.000121 0.000000 0.000000000000 0.000000000000
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1 2 2 1.160704 1.160704 -0.000119 0.000000 0.000000000000 0.000000000000
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1 2 3 1.160704 1.160704 -0.000118 0.000000 0.000000000000 0.000000000000
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1 2 4 1.160704 1.160704 1288.895966 0.000000 0.099608941053 0.000000000000
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| 11 |
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1 2 5 1.160704 1.160704 1288.895966 0.000000 0.099608941053 0.000000000000
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1 2 6 1.160704 1.160704 1288.895966 0.000000 0.099608941053 0.000000000000
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1 3 1 1.160704 5.575865 -0.000121 0.000000 0.000000000000 0.000000000000
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1 3 2 1.160704 5.575865 -0.000119 0.000000 0.000000000000 0.000000000000
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1 3 3 1.160704 5.575865 -0.000118 0.000000 0.000000000000 0.000000000000
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1 3 4 1.160704 5.575865 1288.895966 0.000000 0.157483117655 0.000000000000
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| 17 |
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1 3 5 1.160704 5.575865 1288.895966 0.000000 0.157483117655 0.000000000000
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| 18 |
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1 3 6 1.160704 5.575865 1288.895966 0.000000 0.157483117655 0.000000000000
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| 19 |
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1 4 1 1.160704 5.575865 -0.000121 0.000000 0.000000000000 0.000000000000
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| 20 |
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1 4 2 1.160704 5.575865 -0.000119 0.000000 0.000000000000 0.000000000000
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| 21 |
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1 4 3 1.160704 5.575865 -0.000118 0.000000 0.000000000000 0.000000000000
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| 22 |
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1 4 4 1.160704 5.575865 1288.895966 0.000000 0.157483117655 0.000000000000
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| 23 |
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1 4 5 1.160704 5.575865 1288.895966 0.000000 0.157483117655 0.000000000000
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1 4 6 1.160704 5.575865 1288.895966 0.000000 0.157483117655 0.000000000000
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| 25 |
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1 5 1 1.160704 21.686897 -0.000121 0.000000 0.000000000000 0.000000000000
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| 26 |
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1 5 2 1.160704 21.686897 -0.000119 0.000000 0.000000000000 0.000000000000
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| 27 |
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1 5 3 1.160704 21.686897 -0.000118 0.000000 0.000000000000 0.000000000000
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| 28 |
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1 5 4 1.160704 21.686897 1288.895966 0.000000 0.131133498413 0.000000000000
|
| 29 |
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1 5 5 1.160704 21.686897 1288.895966 0.000000 0.131133498413 0.000000000000
|
| 30 |
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1 5 6 1.160704 21.686897 1288.895966 0.000000 0.131133498413 0.000000000000
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| 31 |
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1 6 1 1.160704 21.686897 -0.000121 0.000000 0.000000000000 0.000000000000
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| 32 |
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1 6 2 1.160704 21.686897 -0.000119 0.000000 0.000000000000 0.000000000000
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| 33 |
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1 6 3 1.160704 21.686897 -0.000118 0.000000 0.000000000000 0.000000000000
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| 34 |
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1 6 4 1.160704 21.686897 1288.895966 0.000000 0.131133498413 0.000000000000
|
| 35 |
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