source_file stringclasses 1
value | split stringclasses 3
values | ideal_potential listlengths 6 10 | measurement listlengths 16 16 | specimen_atomic_numbers listlengths 5.4k 12.8k | specimen_positions listlengths 5.4k 12.8k | specimen_cell listlengths 3 3 | scan_positions listlengths 16 16 | phonon_sigmas listlengths 5.4k 12.8k | metadata dict |
|---|---|---|---|---|---|---|---|---|---|
simulation_data_aug2.hdf5 | val | [[[32.50729751586914,36.25830078125,40.7362174987793,45.593692779541016,50.115814208984375,53.222141(...TRUNCATED) | [[[[3.274622963435378e-19,3.453001877593024e-19,3.351438057044349e-19,3.390732238067915e-19,3.254670(...TRUNCATED) | [28,28,26,28,26,28,31,28,26,28,26,28,28,31,26,28,28,31,26,28,28,31,31,26,28,31,28,31,28,28,26,28,26,(...TRUNCATED) | [[0.49653398990631104,97.01045227050781,5.809427261352539],[0.8035826086997986,99.337646484375,2.489(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | train | [[[11.974983215332031,12.709835052490234,13.66851806640625,14.880928993225098,16.28951644897461,17.9(...TRUNCATED) | [[[[3.396384983578949e-19,3.478346174573766e-19,3.7249305246334134e-19,3.793508450305005e-19,3.49152(...TRUNCATED) | [21,44,21,44,21,21,44,67,44,67,21,44,67,44,44,67,44,21,21,44,67,44,21,44,67,21,44,67,44,44,67,21,44,(...TRUNCATED) | [[0.10086974501609802,99.96210479736328,6.628467082977295],[0.10086974501609802,99.96210479736328,9.(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | train | [[[8.615684509277344,10.680150032043457,13.545390129089355,17.418109893798828,22.864286422729492,30.(...TRUNCATED) | [[[[3.4065350066828577e-19,3.5557788102087963e-19,3.5561593132905707e-19,3.6635493287849746e-19,3.37(...TRUNCATED) | [28,30,28,30,28,30,30,28,77,30,30,77,30,30,28,77,30,30,77,30,30,28,77,30,30,77,30,28,30,77,30,28,30,(...TRUNCATED) | [[100.14497375488281,100.182373046875,2.5479984283447266],[100.14497375488281,100.182373046875,5.095(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | train | [[[3.552945613861084,2.8607261180877686,2.4022908210754395,2.1178174018859863,1.9817774295806885,1.9(...TRUNCATED) | [[[[3.37368456263108e-19,3.4626860946144886e-19,3.569835452249428e-19,3.7652005202858505e-19,3.55855(...TRUNCATED) | [31,33,31,31,31,31,31,31,33,33,33,33,31,31,33,31,33,31,31,31,31,31,33,33,33,33,31,31,31,31,31,31,33,(...TRUNCATED) | [[9.388447761535645,0.41047000885009766,1.1169240474700928],[11.293122291564941,1.0253502130508423,2(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | train | [[[5.21112060546875,5.2495903968811035,5.228577613830566,5.16049861907959,5.0641398429870605,4.89737(...TRUNCATED) | [[[[3.402816312841549e-19,3.50128544392351e-19,3.459193065984042e-19,3.586300482342296e-19,3.2537511(...TRUNCATED) | [67,67,67,76,67,76,67,76,48,67,67,67,76,67,76,67,67,76,48,67,67,76,67,67,48,76,48,67,67,48,76,67,67,(...TRUNCATED) | [[100.2901382446289,7.222605228424072,7.1450324058532715],[99.7884750366211,4.3794965744018555,3.062(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | train | [[[54.64708709716797,54.56987380981445,55.639312744140625,55.62034225463867,56.695411682128906,56.52(...TRUNCATED) | [[[[3.4198526145449614e-19,3.4549977093147496e-19,3.1909825957970784e-19,3.539820945229e-19,3.437001(...TRUNCATED) | [77,77,45,77,77,45,77,77,45,77,77,77,77,77,77,77,77,77,45,77,77,77,45,77,77,77,45,77,77,77,45,77,77,(...TRUNCATED) | [[1.7098848819732666,0.8736925721168518,1.9201679229736328],[0.8361923098564148,2.5835773944854736,0(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | val | [[[3.1364235877990723,3.0758142471313477,2.646472215652466,3.1119165420532227,3.218385696411133,3.10(...TRUNCATED) | [[[[3.52376252610599e-19,3.676191750472082e-19,3.599731310550743e-19,3.667432424773028e-19,3.5111966(...TRUNCATED) | [33,33,33,33,33,78,33,33,78,33,33,33,78,78,33,78,33,33,33,33,33,33,33,78,33,33,78,33,33,33,33,33,33,(...TRUNCATED) | [[7.456590175628662,0.9122887253761292,3.7006044387817383],[2.828186273574829,2.486131429672241,0.69(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | val | [[[42.142791748046875,44.520362854003906,45.25410079956055,45.28846740722656,44.7093620300293,43.170(...TRUNCATED) | [[[[3.4280228325515125e-19,3.566476064986697e-19,3.6201895550507106e-19,3.6480177203145844e-19,3.582(...TRUNCATED) | [23,23,23,23,23,44,23,44,44,44,23,23,23,23,23,44,23,44,23,44,23,44,23,44,23,44,23,23,23,44,23,44,23,(...TRUNCATED) | [[0.5639979839324951,101.21137237548828,1.5019665956497192],[0.5639979839324951,101.21137237548828,4(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | test | [[[19.835250854492188,23.967708587646484,29.536163330078125,36.96028518676758,47.11134338378906,61.0(...TRUNCATED) | [[[[3.447496732122542e-19,3.4991391687278762e-19,3.5638701875632134e-19,3.6349244851936357e-19,3.406(...TRUNCATED) | [30,30,30,30,30,30,30,30,28,72,30,30,28,72,30,30,28,72,30,30,28,72,30,30,28,72,30,28,72,30,28,30,30,(...TRUNCATED) | [[0.14476658403873444,55.20615005493164,6.061916828155518],[0.34410905838012695,59.44392395019531,6.(...TRUNCATED) | [
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simulation_data_aug2.hdf5 | test | [[[70.76437377929688,96.66802978515625,114.22146606445312,107.30428314208984,83.71408081054688,59.52(...TRUNCATED) | [[[[3.49485230520332e-19,3.4511828557272316e-19,3.7081483224744196e-19,3.560179152573637e-19,3.32758(...TRUNCATED) | [6,6,6,6,6,75,6,6,75,6,6,75,6,75,6,75,6,75,6,75,75,6,6,6,75,6,6,75,6,6,75,6,75,6,75,6,75,6,75,6,75,6(...TRUNCATED) | [[0.013991747982800007,98.0259780883789,6.039864540100098],[0.778389573097229,101.22357177734375,6.0(...TRUNCATED) | [
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