elastic_constant_matrix_yy_yz float64 -25.3 21.4 | elastic_compliance_matrix_xx_yy float64 2 2 | elastic_compliance_matrix_xy_yz float64 -0.02 0.11 ⌀ | cell_length_a float64 4.71 43.2 | elastic_constant_matrix_yy_xy float64 -49.66 141 | elastic_constant_matrix_xy_zz float64 -40.73 40.8 | high_freq_dielectric_constant_tensor_y_x float64 -0.04 0.03 | cell_length_c float64 4.76 41.7 | elastic_compliance_matrix_zz_yz float64 -0.04 0.07 | poissons_ratio_x_y float64 -3.62 8.68 | shear_modulus_Hill float64 -1,252.13 1.41k | elastic_compliance_matrix_yy_xy float64 -0.1 0.12 | elastic_compliance_matrix_zz_zz float64 -0.05 0.12 | high_freq_dielectric_constant_tensor_y_z float64 -0.03 0.04 | youngs_moduli_Hill float64 -1,461.22 262 | velocity_p_wave_Voigt float64 3.15 43.6 | AV_A3 float64 0 3.73k | high_freq_dielectric_constant_tensor_z_z float64 1.4 2.27 | AV_vol_frac float64 0 0.39 | velocity_s_wave_Voigt float64 -14.2 37.6 | elastic_compliance_matrix_xz_xy float64 -0.83 2.88 | elastic_constant_matrix_yy_yy float64 -41.18 105 | elastic_constant_matrix_yy_zz float64 -37.19 177 | poissons_ratio_z_y float64 -1.67 1.18 | elastic_constant_matrix_zz_zz float64 -18.23 148 | elastic_constant_matrix_yz_yy float64 -18.23 148 | elastic_constant_matrix_xz_zz float64 -33.2 32.3 | elastic_compliance_matrix_yy_xx float64 -0.14 1.24 | elastic_constant_matrix_xx_yy float64 2 2 | elastic_compliance_matrix_xz_xz float64 -0.02 0.11 | static_dielectric_constant_tensor_z_y float64 -0.77 2.49 | elastic_compliance_matrix_xx_yz float64 4 4 | chemical_formula_sum stringclasses 1
value | elastic_constant_matrix_xx_zz float64 3 3 | elastic_compliance_matrix_yy_zz float64 -0.1 0.02 | cell_angle_gamma float64 10.5 161 | total_gulp_energy float64 -4,366,138.48 -111,534.89 | crystal_chemfile stringlengths 3.45k 4.97k | elastic_compliance_matrix_xx_xz float64 5 5 | density float64 0.99 3.07 | elastic_compliance_matrix_xz_zz float64 -0.07 0.03 | elastic_constant_matrix_zz_xx float64 -41.18 105 | elastic_compliance_matrix_xy_xy float64 -0.03 0.14 ⌀ | elastic_constant_matrix_yy_xx float64 -208.12 244 | elastic_constant_matrix_yy_xz float64 -33.22 45.5 | elastic_compliance_matrix_xz_xx float64 -0.06 0.04 | ASA_m2_g float64 0 1.43k | elastic_compliance_matrix_xy_xx float64 -0.1 0.07 ⌀ | framework_density float64 9.96 30.8 | elastic_constant_matrix_xy_xx float64 -33.22 45.5 | cell_angle_alpha float64 16.2 163 | Df_largest_free_sphere float64 0.23 21.6 | elastic_constant_matrix_zz_xy float64 -53.69 32.5 | elastic_compliance_matrix_yy_xz float64 -0.1 0.07 | static_dielectric_constant_tensor_x_z float64 -1.93 1.82 | gulp_energy_per_si_atom float64 -12,411.92 -12,388.05 | Di_largest_included_sphere float64 1.6 21.7 | bulk_modulus_Voigt float64 14 138 | velocity_p_wave_Hill float64 1.99 31.1 | bulk_modulus_Hill float64 1.54 130 | elastic_constant_matrix_yz_xz float64 -40.73 40.8 | static_dielectric_constant_tensor_z_x float64 -1.93 1.82 | high_freq_dielectric_constant_tensor_x_y float64 -0.04 0.03 | bulk_modulus_Reuss float64 -24.93 123 | static_dielectric_constant_tensor_y_x float64 -6.17 2.02 | elastic_constant_matrix_zz_xz float64 -29.31 98.4 | elastic_constant_matrix_yz_zz float64 9.3 336 | cell_angle_beta float64 16.6 164 | NAV_cm3_g float64 0 9.94 | ASA_A2 float64 0 2.48k | elastic_compliance_matrix_yz_xz float64 -0.07 0.06 | elastic_constant_matrix_xy_yz float64 -14.02 92.8 | elastic_compliance_matrix_xz_yy float64 -0.04 0.07 | elastic_constant_matrix_xz_yz float64 -550.73 6.97k | si_number_density float64 9.96 30.8 | elastic_compliance_matrix_xx_xx float64 1 1 | elastic_compliance_matrix_xy_xz float64 -6.05 2.51 ⌀ | space_group_number_it int64 2 230 | high_freq_dielectric_constant_tensor_x_x float64 1.39 2.27 | elastic_compliance_matrix_zz_xx float64 -1.21 0.1 | static_dielectric_constant_tensor_x_y float64 -6.17 2.02 | space_group_name_hm stringclasses 129
values | poissons_ratio_z_x float64 -1.67 2 | shear_modulus_Reuss float64 -2,531.16 1.02k | velocity_s_wave_Reuss float64 -34.97 22.6 | static_dielectric_constant_tensor_z_z float64 2 7.13 | NASA_A2 float64 0 1.05k | velocity_s_wave_Hill float64 -24.6 26.6 | cell_length_b float64 4.57 36.7 | elastic_compliance_matrix_yz_xx float64 -0.1 0.02 | elastic_compliance_matrix_yz_yz float64 -0.07 0.03 | elastic_constant_matrix_xy_yy float64 -29.31 98.4 | elastic_compliance_matrix_yz_yy float64 -0.05 0.12 | elastic_constant_matrix_xx_yz float64 4 4 | elastic_constant_matrix_xx_xz float64 5 5 | high_freq_dielectric_constant_tensor_z_x float64 -0.05 0.04 | shear_modulus_Voigt float64 -437.39 2.8k | n_channels int64 1 12 ⌀ | Dif_largest_included_sphere_along_free_path float64 0.87 21.7 | elastic_compliance_matrix_xx_zz float64 3 3 | cell_volume float64 379 19.9k | crystal_name stringlengths 7 7 | elastic_compliance_matrix_xx_xy float64 6 6 | elastic_compliance_matrix_yz_zz float64 -0.11 0.16 | NAV_vol_frac float64 0 0.11 | elastic_compliance_matrix_zz_xy float64 -0.15 0.1 | NASA_m2_g float64 0 936 | youngs_moduli_Reuss float64 -1,093.47 369 | static_dielectric_constant_tensor_x_x float64 -1.36 10.6 | high_freq_dielectric_constant_tensor_x_z float64 -0.05 0.04 | velocity_p_wave_Reuss float64 0.11 40.1 | poissons_ratio_y_z float64 -0.97 23.5 | elastic_compliance_matrix_yy_yy float64 -1.21 0.1 | elastic_compliance_matrix_yz_xy float64 -0.03 0.15 | elastic_constant_matrix_xz_xx float64 -25.3 21.4 | elastic_constant_matrix_xz_xz float64 -14.02 92.8 | elastic_compliance_matrix_zz_yy float64 -0.11 1.24 | static_dielectric_constant_tensor_y_z float64 -0.77 2.49 | static_dielectric_constant_tensor_y_y float64 -4.71 53.3 | ASA_m2_cm3 float64 0 2.12k | channel_dim int64 1 3 ⌀ | elastic_constant_matrix_xx_xx float64 1 1 | elastic_constant_matrix_xx_xy float64 6 6 | elastic_constant_matrix_yz_yz float64 -33.2 32.3 | elastic_constant_matrix_xy_xy float64 -14.22 31.2 | compressibility float64 -0.38 0.24 | elastic_constant_matrix_xz_xy float64 -82.37 92.3 | elastic_constant_matrix_yz_xy float64 -40.85 30.2 | elastic_compliance_matrix_yy_yz float64 -0.06 0.04 | elastic_compliance_matrix_zz_xz float64 -0.04 0.06 | elastic_compliance_matrix_xy_yy float64 -0.04 0.06 ⌀ | poissons_ratio_x_z float64 -18.39 1.6 | elastic_compliance_matrix_xy_zz float64 -0.07 0.06 ⌀ | AV_cm3_g float64 0 0.35 | poissons_ratio_y_x float64 -2.11 8.68 | elastic_constant_matrix_xz_yy float64 -36.17 81.3 | high_freq_dielectric_constant_tensor_z_y float64 -0.03 0.04 | NASA_m2_cm3 float64 0 1.56k | elastic_constant_matrix_zz_yy float64 -14.5 244 | elastic_compliance_matrix_xz_yz float64 -6.2 3.37 | youngs_moduli_Voigt float64 -1,093.47 272 | high_freq_dielectric_constant_tensor_y_y float64 1.42 2.34 | elastic_constant_matrix_yz_xx float64 -37.19 177 | elastic_constant_matrix_zz_yz float64 -36.17 81.3 | NAV_A3 float64 0 928 | elastic_constant_matrix_xy_xz float64 -408.62 6.97k | tiling_name stringlengths 7 7 ⌀ | tiling_type stringclasses 2
values | tiling_periodic_complex stringlengths 75.6k 2.37M ⌀ | crystal_tiling_periodic_complex_embedding stringlengths 77k 2.4M ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11.3701 | 2 | -0.005515 | 22.170731 | 17.9041 | 3.1146 | 0.0192 | 8.995836 | 0.001341 | 0.28687 | 31.37438 | -0.005979 | -0.005414 | -0.00576 | 93.81856 | 7.39585 | 0 | 1.8287 | 0 | 3.97986 | -0.000549 | 38.8389 | 32.7904 | 0.44414 | 70.4697 | 70.4697 | -2.8229 | 0.015803 | 2 | -0.005515 | -0.00805 | 4 | Si O2 | 3 | -0.001618 | 19.764155 | -198,282.338142 | "data_PCOD8000604\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 2.089827 | 0.001513 | 38.8389 | 0.005261 | 86.5589 | 5.0094 | -0.005404 | 0 | -0.002094 | 20.945948 | 5.0094 | 115.809439 | 1.51765 | 10.3137 | -0.002094 | -0.0489 | -12,392.646134 | 3.95961 | 70.18333 | 7.09951 | 63.51284 | 3.1146 | -0.0489 | 0.0192 | 56.84235 | 0.18902 | 3.3396 | 135.877 | 113.52298 | 0.008996 | 0 | -0.000608 | 4.8114 | 0.001341 | 30.8491 | 20.945948 | 1 | 0.037741 | 2 | 1.83173 | -0.003497 | 0.18902 | P -1 | 0.10241 | 29.64373 | 3.76606 | 4.17432 | 52.6085 | 3.87444 | 12.589038 | -0.001618 | 0.001513 | 3.3396 | -0.005414 | 4 | 5 | 0.00161 | 33.10502 | null | 3.95159 | 3 | 763.870929 | 8000604 | 6 | 0.010659 | 0.0188 | -0.000333 | 329.555 | 63.28037 | 4.12148 | 0.00161 | 6.79025 | 0.50795 | -0.003497 | -0.000743 | 11.3701 | 4.8114 | 0.01219 | -0.00805 | 3.65794 | 0 | null | 1 | 6 | -2.8229 | -3.7434 | 0.017593 | 1.9131 | 10.1304 | -0.005404 | -0.000499 | -0.000499 | 0.15184 | -0.000608 | 0 | 0.2213 | -1.1352 | -0.00576 | 688.71 | 125.0163 | 0.03549 | 82.03266 | 1.80341 | 32.7904 | -1.1352 | 14.3608 | 28.0936 | 8000604 | PPT 1 | "{\"rank_sizes\":{\"4\":3,\"2\":32,\"3\":19,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"2\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":19,\"4\":32,\"6\":3,\"2\":64,\"3\":16,\"1\":48},\"incidence\":{(...TRUNCATED) |
-19.8636 | 2 | 0.012074 | 12.181771 | 2.9011 | -28.3312 | -0.00379 | 12.420205 | -0.00194 | 0.13473 | 26.05787 | 0.004143 | -0.002951 | 0.00532 | 111.6619 | 6.62057 | 0 | 1.91835 | 0 | 3.82758 | 0.034347 | 16.904 | 42.3366 | 0.17782 | 21.9669 | 21.9669 | 8.5321 | 0.013063 | 2 | 0.012074 | 0.13321 | 4 | Si O2 | 3 | -0.002835 | 56.648041 | -148,736.780442 | "data_PCOD8000738\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 2.278831 | -0.001108 | 16.904 | 0.027029 | 104.4626 | -9.8386 | 0.009305 | 0 | 0.003447 | 22.840291 | -9.8386 | 42.113263 | 2.35132 | 2.6503 | 0.003447 | -0.3048 | -12,394.731703 | 2.71582 | 55.37735 | 6.09216 | 49.84286 | -28.3312 | -0.3048 | -0.00379 | 44.30836 | 0.08446 | 4.1217 | 162.61 | 35.831679 | 8.77648 | 0 | 0.007731 | -4.5866 | -0.00194 | 35.5663 | 22.840291 | 1 | 0.042576 | 2 | 1.87987 | -0.002236 | 0.08446 | P -1 | 0.21703 | 18.72639 | 2.86647 | 4.44776 | 7.74217 | 3.38135 | 8.923013 | -0.002835 | -0.001108 | 4.1217 | -0.002951 | 4 | 5 | -0.02433 | 33.38934 | null | 2.70677 | 3 | 525.387354 | 8000738 | 6 | 0.008956 | 0.0002 | -0.007896 | 64.6656 | 76.55473 | 4.33016 | -0.02433 | 5.51333 | 0.32949 | -0.002236 | 0.007221 | -19.8636 | -4.5866 | 0.016594 | 0.13321 | 4.06213 | 0 | null | 1 | 6 | 8.5321 | -4.0717 | 0.022569 | -9.3171 | -5.9463 | 0.009305 | -0.006338 | -0.006338 | 0.31656 | 0.007731 | 0 | 0.17116 | -3.1872 | 0.00532 | 147.361 | 68.9085 | 0.04396 | 60.26197 | 1.89116 | 42.3366 | -3.1872 | 0.105077 | 33.928 | 8000738 | PPT 1 | "{\"rank_sizes\":{\"4\":3,\"2\":24,\"3\":15,\"1\":12},\"incidence\":{\"4\":{\"2\":{\"2\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":15,\"4\":24,\"6\":3,\"2\":48,\"3\":12,\"1\":36},\"incidence\":{(...TRUNCATED) |
0.8585 | 2 | -0.008183 | 8.646023 | -0.7739 | -6.1397 | -0.01552 | 14.404725 | -0.003618 | 0.34134 | 19.855 | 0.011165 | -0.007166 | 0.01776 | 50.22051 | 6.70885 | 9.57204 | 1.73061 | 0.0154 | 3.447 | -0.009728 | 39.6324 | 30.9852 | 0.40766 | 48.822 | 48.822 | 5.2998 | 0.016414 | 2 | -0.008183 | 0.23494 | 4 | Si O2 | 3 | -0.003859 | 102.601798 | -148,674.980132 | "data_PCOD8000790\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 1.926228 | -0.000328 | 39.6324 | 0.03317 | 83.9405 | -3.0776 | 0.001043 | 477.284 | 0.004127 | 19.306223 | -3.0776 | 31.043024 | 2.44887 | 14.9562 | 0.004127 | 0.09892 | -12,389.581678 | 3.54049 | 56.18713 | 6.43412 | 53.2772 | -6.1397 | 0.09892 | -0.01552 | 50.36727 | -0.15304 | -0.9989 | 76.4774 | 123.826516 | 0 | 57.1434 | 0.003671 | 2.9846 | -0.003618 | 28.5371 | 19.306223 | 1 | 0.056917 | 2 | 1.74408 | -0.006 | -0.15304 | P -1 | 0.2351 | 16.82045 | 2.95489 | 3.28155 | 0 | 3.21039 | 14.618492 | -0.003859 | -0.000328 | -0.9989 | -0.007166 | 4 | 5 | 0.00542 | 22.88956 | 1 | 3.53998 | 3 | 621.561247 | 8000790 | 6 | 0.019912 | 0 | -0.016211 | 0 | 60.9226 | 3.38861 | 0.00542 | 6.14712 | 0.35988 | -0.006 | -0.003275 | 0.8585 | 2.9846 | 0.017578 | 0.23494 | 3.68737 | 919.352 | 1 | 1 | 6 | 5.2998 | -6.6959 | 0.019854 | 3.6834 | 8.8927 | 0.001043 | -0.006366 | -0.006366 | 0.1938 | 0.003671 | 0.007995 | 0.36555 | 12.8056 | 0.01776 | 0 | 106.3869 | 0.038807 | 56.88867 | 1.7627 | 30.9852 | 12.8056 | 0 | 22.4083 | 8000790 | PPT 1 | "{\"rank_sizes\":{\"4\":2,\"2\":24,\"3\":14,\"1\":12},\"incidence\":{\"4\":{\"2\":{\"2\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":14,\"4\":24,\"6\":2,\"2\":48,\"3\":12,\"1\":36},\"incidence\":{(...TRUNCATED) |
2.2165 | 2 | 0.003046 | 15.2917 | 0.9677 | -15.5983 | -0.01261 | 15.089195 | -0.010484 | -3.61629 | 86.45556 | 0.019188 | -0.005231 | -0.01199 | 111.43631 | 5.24362 | 23.3756 | 1.76056 | 0.0278 | 3.88687 | 0.005765 | -18.1867 | -0.8856 | -0.19531 | 1.0017 | 1.0017 | -11.7406 | -0.141944 | 2 | 0.003046 | -0.09019 | 4 | Si O2 | 3 | -0.008094 | 145.238556 | -198,355.557681 | "data_PCOD8001343\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 1.898511 | 0.004865 | -18.1867 | 0.000952 | 8.8258 | -10.1768 | -0.02954 | 613.866 | -0.05217 | 19.028423 | -10.1768 | 142.11634 | 3.5474 | 2.177 | -0.05217 | -0.26867 | -12,397.222355 | 4.15756 | 13.95917 | 7.98089 | 5.66424 | -15.5983 | -0.26867 | -0.01261 | -2.63069 | -0.04785 | 3.1975 | 125.7774 | 19.35156 | 0 | 97.9944 | 0.002908 | -7.1342 | -0.010484 | 24.2283 | 19.028423 | 1 | 0.021205 | 2 | 1.7329 | -0.096861 | -0.04785 | P -1 | -0.05702 | 144.22574 | 8.71547 | 3.55394 | 0 | 6.74786 | 19.342515 | -0.008094 | 0.004865 | 3.1975 | -0.005231 | 4 | 5 | -0.01349 | 28.68537 | 2 | 4.15756 | 3 | 840.847388 | 8001343 | 6 | 0.008974 | 0 | 0.011166 | 0 | -7.04503 | 3.68805 | -0.01349 | 9.99469 | 0.58297 | -0.096861 | 0.003153 | 2.2165 | -7.1342 | -0.026785 | -0.09019 | 3.16066 | 1,165.42 | 1 | 1 | 6 | -11.7406 | 6.393 | -0.380128 | -1.9998 | -8.9257 | -0.02954 | -0.036903 | -0.036903 | 0.90193 | 0.002908 | 0.014643 | -0.68239 | -6.2096 | -0.01199 | 0 | 27.1705 | 0.04502 | -37.33464 | 1.70518 | -0.8856 | -6.2096 | 0 | 30.5631 | 8001343 | PPT 1 | "{\"rank_sizes\":{\"4\":20,\"2\":32,\"3\":36,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"5\":[{\"src_ra(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":36,\"4\":32,\"6\":20,\"2\":64,\"3\":16,\"1\":48},\"incidence\":(...TRUNCATED) |
10.2206 | 2 | 0.001586 | 11.743805 | 0.9614 | -16.2855 | -0.01144 | 12.670997 | -0.001777 | 0.37678 | 31.30298 | -0.002009 | -0.00228 | 0.00181 | 75.00875 | 7.80384 | 38.7968 | 1.75383 | 0.0468 | 4.17456 | -0.002328 | 53.1342 | 61.1908 | 0.19117 | 38.4419 | 38.4419 | -1.0217 | 0.014367 | 2 | 0.001586 | 0.07104 | 4 | Si O2 | 3 | -0.005571 | 113.51878 | -198,420.634335 | "data_PCOD8001637\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 1.925665 | 0.003106 | 53.1342 | -0.011707 | 117.2424 | -17.8351 | -0.003468 | 628.71 | 0.00378 | 19.300579 | -17.8351 | 53.209341 | 3.16169 | -10.4936 | 0.00378 | -0.27519 | -12,401.289646 | 4.01468 | 72.536 | 7.60826 | 69.74315 | -16.2855 | -0.27519 | -0.01144 | 66.9503 | -0.12047 | -6.1213 | 114.1854 | 71.750187 | 0 | 100.364 | 0.003864 | -1.8673 | -0.001777 | 31.6351 | 19.300579 | 1 | 0.030771 | 2 | 1.72961 | -0.004493 | -0.12047 | P -1 | 0.38775 | 29.04375 | 3.8834 | 3.67059 | 0.018594 | 4.03161 | 11.508343 | -0.005571 | 0.003106 | -6.1213 | -0.00228 | 4 | 5 | -0.02167 | 33.56221 | 1 | 4.01468 | 3 | 828.990681 | 8001637 | 6 | 0.013332 | 0 | 0.005462 | 0.11648 | 69.60485 | 3.45074 | -0.02167 | 7.40751 | 0.171 | -0.004493 | -0.004525 | 10.2206 | -1.8673 | 0.011925 | 0.07104 | 3.50121 | 1,210.68 | 2 | 1 | 6 | -1.0217 | 10.0707 | 0.014936 | 0.668 | 6.1155 | -0.003468 | -0.002555 | -0.002555 | 0.41785 | 0.003864 | 0.024303 | 0.31275 | 7.6635 | 0.00181 | 0.224299 | 115.8625 | 0.033404 | 83.85657 | 1.75112 | 61.1908 | 7.6635 | 0 | 40.154 | 8001637 | PPT 1 | "{\"rank_sizes\":{\"4\":2,\"2\":32,\"3\":18,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"2\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":18,\"4\":32,\"6\":2,\"2\":64,\"3\":16,\"1\":48},\"incidence\":{(...TRUNCATED) |
3.287 | 2 | 0.009811 | 20.101537 | -0.3117 | 40.796 | -0.00303 | 9.959661 | 0.011391 | 0.40409 | 22.70932 | 0.000508 | -0.001042 | -0.01993 | 54.49261 | 6.61337 | 20.8567 | 1.80314 | 0.0266 | 3.61338 | -0.004647 | 30.1167 | 59.6482 | 0.04536 | 16.3376 | 16.3376 | -2.3766 | 0.02183 | 2 | 0.009811 | -0.2219 | 4 | Si O2 | 3 | -0.009146 | 144.188656 | -198,288.486318 | "data_PCOD8001800\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 2.035951 | 0.000237 | 30.1167 | -0.009284 | 85.7094 | 17.0926 | -0.008383 | 581.612 | -0.001069 | 20.405954 | 17.0926 | 36.861406 | 2.98443 | 4.7794 | -0.001069 | 0.55468 | -12,393.030395 | 3.50879 | 53.6083 | 6.17878 | 47.4565 | 40.796 | 0.55468 | -0.00303 | 41.3047 | -0.12969 | -0.904 | 122.9221 | 143.754175 | 0 | 92.8456 | -0.016285 | -3.6087 | 0.011391 | 19.6436 | 20.405954 | 1 | 0.047094 | 2 | 1.76756 | -0.00928 | -0.12969 | P -1 | 0.41898 | 18.83324 | 3.04127 | 4.33658 | 0 | 3.3396 | 12.488498 | -0.009146 | 0.000237 | -0.904 | -0.001042 | 4 | 5 | 0.03712 | 26.58541 | 1 | 3.50879 | 3 | 784.084858 | 8001800 | 6 | 0.018351 | 0 | -0.006279 | 0 | 45.80921 | 3.76848 | 0.03712 | 5.71121 | 0.05677 | -0.00928 | 0.005617 | 3.287 | -3.6087 | 0.022965 | -0.2219 | 3.56959 | 1,184.13 | 1 | 1 | 6 | -2.3766 | 1.662 | 0.02421 | 0.4835 | -5.0301 | -0.008383 | 0.0074 | 0.0074 | 0.4984 | -0.016285 | 0.013065 | 0.4251 | -7.2282 | -0.01993 | 0 | 61.6384 | 0.058447 | 43.54426 | 1.78877 | 59.6482 | -7.2282 | 0 | 36.9505 | 8001800 | NT | "{\"rank_sizes\":{\"4\":5,\"2\":32,\"3\":21,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"5\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":21,\"4\":32,\"6\":5,\"2\":64,\"3\":16,\"1\":48},\"incidence\":{(...TRUNCATED) |
2.3754 | 2 | -0.002749 | 10.861013 | 2.6742 | 7.7235 | -0.01738 | 13.095292 | 0.003637 | -0.00351 | 24.88622 | -0.001224 | -0.006152 | -0.0048 | 44.86292 | 6.04557 | 30.8805 | 1.76006 | 0.0378 | 3.66259 | -0.00241 | 8.9517 | 24.7445 | 0.43147 | 24.4618 | 24.4618 | 2.3477 | 0.01856 | 2 | -0.002749 | -0.11566 | 4 | Si O2 | 3 | -0.007534 | 64.667316 | -198,339.281196 | "data_PCOD8001962\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 1.954057 | -0.001982 | 8.9517 | -0.000711 | 64.2495 | -0.2921 | -0.001074 | 594.552 | 0.002252 | 19.585146 | -0.2921 | 157.590514 | 2.7529 | -7.1923 | 0.002252 | -0.00229 | -12,396.205075 | 4.34642 | 36.47235 | 5.95833 | 36.1983 | 7.7235 | -0.00229 | -0.01738 | 35.92425 | -0.2136 | -1.1168 | 62.613 | 116.586771 | 0 | 94.9112 | -0.005659 | 2.745 | 0.003637 | 27.2625 | 19.585146 | 1 | 0.034834 | 2 | 1.71996 | 0.00005 | -0.2136 | P -1 | 0.40593 | 23.55677 | 3.47189 | 3.544 | 0 | 3.56851 | 16.86313 | -0.007534 | -0.001982 | -1.1168 | -0.006152 | 4 | 5 | 0.00711 | 26.21566 | 1 | 4.34642 | 3 | 816.945674 | 8001962 | 6 | 0.02229 | 0 | 0.004933 | 0 | 53.87989 | 3.24013 | 0.00711 | 5.86979 | 0.276 | 0.00005 | -0.003505 | 2.3754 | 2.745 | 0.014258 | -0.11566 | 3.61574 | 1,161.78 | 2 | 1 | 6 | 2.3477 | 1.2739 | 0.027836 | 2.3996 | 2.9596 | -0.001074 | 0.001559 | 0.001559 | 0.338 | -0.005659 | 0.019345 | -0.0027 | -7.0788 | -0.0048 | 0 | 85.0726 | 0.038378 | 70.13384 | 1.76805 | 24.7445 | -7.0788 | 0 | 30.2739 | 8001962 | NT | "{\"rank_sizes\":{\"4\":3,\"2\":32,\"3\":19,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"2\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":19,\"4\":32,\"6\":3,\"2\":64,\"3\":16,\"1\":48},\"incidence\":{(...TRUNCATED) |
14.7574 | 2 | -0.006267 | 9.411197 | -2.7445 | -9.0455 | -0.00522 | 11.454193 | -0.000609 | 0.16132 | 27.77137 | 0.002194 | -0.006453 | 0.01956 | 69.84552 | 6.85351 | 22.4699 | 1.78824 | 0.0284 | 3.86194 | 0.001147 | 30.3242 | 42.7733 | 0.28358 | 41.2603 | 41.2603 | 7.0659 | 0.015273 | 2 | -0.006267 | 0.25593 | 4 | Si O2 | 3 | -0.004385 | 96.331585 | -198,471.771271 | "data_PCOD8002537\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 2.017656 | -0.000364 | 30.3242 | -0.012775 | 92.6618 | -10.6402 | -0.005798 | 499.538 | 0.002329 | 20.22259 | -10.6402 | 116.007116 | 2.92182 | 4.6801 | 0.002329 | -0.03842 | -12,404.485704 | 3.50527 | 54.65324 | 6.52028 | 48.75976 | -9.0455 | -0.03842 | -0.00522 | 42.86628 | -0.02796 | -12.2523 | 105.4006 | 127.142227 | 0 | 79.7438 | 0.001472 | 3.2748 | -0.000609 | 32.2835 | 20.22259 | 1 | 0.040661 | 2 | 1.80665 | -0.003671 | -0.02796 | P -1 | 0.28709 | 25.44691 | 3.55116 | 3.73965 | 0 | 3.70981 | 12.023996 | -0.004385 | -0.000364 | -12.2523 | -0.006453 | 4 | 5 | 0.00112 | 30.09584 | 1 | 3.50507 | 3 | 791.194424 | 8002537 | 6 | 0.014317 | 0 | -0.003374 | 0 | 65.47476 | 3.94519 | 0.00112 | 6.16908 | 0.4507 | -0.003671 | -0.003864 | 14.7574 | 3.2748 | 0.022755 | 0.25593 | 3.51433 | 1,007.89 | 1 | 1 | 6 | 7.0659 | 10.7085 | 0.023328 | 0.4419 | 10.1901 | -0.005798 | 0.006968 | 0.006968 | 0.30625 | 0.001472 | 0.014076 | 0.24034 | 4.3106 | 0.01956 | 0 | 65.1012 | 0.034407 | 43.94709 | 1.76629 | 42.7733 | 4.3106 | 0 | 31.4993 | 8002537 | PPT 1 | "{\"rank_sizes\":{\"4\":2,\"2\":32,\"3\":18,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"2\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":18,\"4\":32,\"6\":2,\"2\":64,\"3\":16,\"1\":48},\"incidence\":{(...TRUNCATED) |
4.379 | 2 | -0.005431 | 10.750955 | -18.1778 | 9.3598 | -0.01357 | 8.963571 | -0.003955 | 0.61961 | 25.17483 | 0.024846 | -0.003321 | 0.00301 | 108.26944 | 7.22299 | 0 | 1.84947 | 0 | 3.80406 | -0.005619 | 39.5247 | 39.8999 | 0.21577 | 71.9347 | 71.9347 | 23.834 | 0.054127 | 2 | -0.005431 | -0.00535 | 4 | Si O2 | 3 | -0.007834 | 89.667238 | -198,342.093465 | "data_PCOD8002862\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 2.137677 | -0.002854 | 39.5247 | 0.000564 | 39.9172 | 7.446 | 0.001935 | 0 | -0.003752 | 21.425533 | 7.446 | 111.430166 | 1.85662 | -16.7357 | -0.003752 | 0.05866 | -12,396.380842 | 3.66802 | 70.28832 | 6.19654 | 48.52328 | 9.3598 | 0.05866 | -0.01357 | 26.75824 | -0.47719 | 17.7255 | 171.2208 | 107.548757 | 0.004584 | 0 | 0.00145 | 6.6213 | -0.003955 | 39.8594 | 21.425533 | 1 | 0.046543 | 2 | 1.80538 | -0.009536 | -0.47719 | P -1 | 0.14474 | 19.41228 | 3.01331 | 4.21147 | 44.498 | 3.43153 | 8.792136 | -0.007834 | -0.002854 | 17.7255 | -0.003321 | 4 | 5 | 0.00181 | 30.93739 | null | 3.55279 | 3 | 746.77257 | 8002862 | 6 | 0.009236 | 0.0098 | 0.001995 | 278.749 | 18.47512 | 3.89559 | 0.00181 | 4.96213 | 0.35953 | -0.009536 | -0.004244 | 4.379 | 6.6213 | 0.01539 | -0.00535 | 4.18474 | 0 | null | 1 | 6 | 23.834 | -3.2476 | 0.037372 | 3.5619 | -5.7686 | 0.001935 | -0.005582 | -0.005582 | 0.84821 | 0.00145 | 0 | 0.17617 | 20.0392 | 0.00301 | 595.871 | 118.7383 | 0.029975 | 64.97874 | 1.85054 | 39.8999 | 20.0392 | 7.31837 | 24.7316 | 8002862 | NT | "{\"rank_sizes\":{\"4\":5,\"2\":32,\"3\":21,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"5\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":21,\"4\":32,\"6\":5,\"2\":64,\"3\":16,\"1\":48},\"incidence\":{(...TRUNCATED) |
2.8472 | 2 | 0.030121 | 8.795041 | -7.3495 | -20.0127 | 0.00188 | 13.347159 | -0.002551 | 0.0817 | 17.80535 | 0.008753 | -0.004993 | -0.00006 | 35.64381 | 5.76053 | 0 | 1.83813 | 0 | 3.29205 | 0.014137 | 10.2518 | 25.1318 | 0.36263 | 31.1484 | 31.1484 | -16.5311 | 0.041214 | 2 | 0.030121 | -0.03863 | 4 | Si O2 | 3 | -0.017695 | 40.328459 | -198,214.658261 | "data_PCOD8002904\n_publ_section_title\n;\nStructure prediction by ZEFSAII (Michael W. Deem and Ramd(...TRUNCATED) | 5 | 2.113595 | 0.019661 | 10.2518 | -0.001787 | 39.0699 | 1.5789 | -0.013919 | 0 | -0.0317 | 21.184168 | 1.5789 | 21.850824 | 1.69807 | -0.072 | -0.0317 | 0.05679 | -12,388.416141 | 3.70272 | 39.59947 | 5.22275 | 33.91856 | -20.0127 | 0.05679 | 0.00188 | 28.23765 | -0.05632 | -6.5486 | 99.7512 | 50.134045 | 0.010882 | 0 | 0.037577 | -2.0541 | -0.002551 | 31.8251 | 21.184168 | 1 | 0.123636 | 2 | 1.80923 | -0.001125 | -0.05632 | P -1 | 0.42933 | 12.70191 | 2.45132 | 4.07735 | 58.2958 | 2.90229 | 27.794521 | -0.017695 | 0.019661 | -6.5486 | -0.004993 | 4 | 5 | 0.00113 | 22.90879 | null | 3.70272 | 3 | 755.281021 | 8002904 | 6 | 0.028055 | 0.023 | -0.004836 | 365.182 | 24.2634 | 3.52578 | 0.00113 | 4.62282 | 0.17798 | -0.001125 | 0.010596 | 2.8472 | -2.0541 | 0.01377 | -0.03863 | 3.68857 | 0 | null | 1 | 6 | -16.5311 | 2.7445 | 0.035414 | -3.8111 | -11.4458 | -0.013919 | 0.000003 | 0.000003 | 0.6307 | 0.037577 | 0 | 0.0273 | -1.2033 | -0.00006 | 771.842 | 84.5099 | 0.04642 | 72.62365 | 1.82175 | 25.1318 | -1.2033 | 17.3715 | 15.1159 | 8002904 | NT | "{\"rank_sizes\":{\"4\":4,\"2\":32,\"3\":20,\"1\":16},\"incidence\":{\"4\":{\"2\":{\"4\":[{\"src_ran(...TRUNCATED) | "{\"complex\":{\"rank_sizes\":{\"5\":20,\"4\":32,\"6\":4,\"2\":64,\"3\":16,\"1\":48},\"incidence\":{(...TRUNCATED) |
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