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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
14.217547416687012
]
] | [[[46.880714674296875,46.93256803397213],[47.012353350505165,47.456204293642884],[47.001104247352345(...TRUNCATED) | [0.1023925170302391,0.1023925170302391,0.10497133433818817,0.1023925170302391,0.10497133433818817,0.(...TRUNCATED) | {"C10":-476.5912780761719,"C12":-5.539912700653076,"C21":346.46710205078125,"C23":489.0478210449219,(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
18.241132736206055
]
] | [[[46.954041401799415,46.824359876949046],[46.84231483298082,47.57008888460381],[46.960400939675125,(...TRUNCATED) | [0.10697340965270996,0.07134409993886948,0.10697340965270996,0.07134409993886948,0.10697340965270996(...TRUNCATED) | {"C10":-147.2308807373047,"C12":-13.99951171875,"C21":498.0517272949219,"C23":-961.2498779296875,"C3(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
12.931861877441406
]
] | [[[46.932042449764396,46.9765181917738],[46.9320308512659,47.4663693846823],[46.823208715546656,48.0(...TRUNCATED) | [0.09010647237300873,0.08537449687719345,0.09010647237300873,0.08537449687719345,0.09010647237300873(...TRUNCATED) | {"C10":-391.18377685546875,"C12":-28.919424057006836,"C21":-224.10101318359375,"C23":-957.8154907226(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
10.751568794250488
]
] | [[[46.91052946628879,46.88066509411121],[46.97922925894544,47.43758869688027],[46.97586270726287,47.(...TRUNCATED) | [0.0790204107761383,0.07622962445020676,0.0790204107761383,0.0790204107761383,0.0790204107761383,0.0(...TRUNCATED) | {"C10":-222.3080291748047,"C12":4.0706024169921875,"C21":455.71490478515625,"C23":-95.15941619873047(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
16.56751251220703
]
] | [[[46.929161969923896,46.87665530872145],[46.82678736909702,47.48776816265495],[46.93832327137334,48(...TRUNCATED) | [0.0815693587064743,0.0815693587064743,0.0815693587064743,0.07595175504684448,0.0815693587064743,0.0(...TRUNCATED) | {"C10":-274.810546875,"C12":17.536970138549805,"C21":-729.6280517578125,"C23":-644.6777954101562,"C3(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
17.878883361816406
]
] | [[[46.933872427995254,46.88644549004148],[46.92278428776319,47.44517777669183],[46.901010234156864,4(...TRUNCATED) | [0.035806410014629364,0.035806410014629364,0.048937004059553146,0.035806410014629364,0.0358064100146(...TRUNCATED) | {"C10":-362.7248229980469,"C12":-18.237316131591797,"C21":-110.58263397216797,"C23":918.788146972656(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
12.667684555053711
]
] | [[[46.86260009575456,46.94495976965381],[46.96426933326752,47.51956243330252],[46.93669936804754,47.(...TRUNCATED) | [0.06887757033109665,0.06887757033109665,0.06887757033109665,0.06887757033109665,0.06887757033109665(...TRUNCATED) | {"C10":-217.79330444335938,"C12":-12.562079429626465,"C21":-378.4664611816406,"C23":-405.52557373046(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
12.71638011932373
]
] | [[[46.84804579371863,46.91399673868289],[46.91512932491245,47.44758685501922],[46.913560442910814,47(...TRUNCATED) | [0.07099371403455734,0.07099371403455734,0.07099371403455734,0.07099371403455734,0.07099371403455734(...TRUNCATED) | {"C10":-460.1216735839844,"C12":26.353069305419922,"C21":525.3630981445312,"C23":-699.5072021484375,(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
14.139415740966797
]
] | [[[46.95795906300305,47.03610651856082],[46.980171633609835,47.468160443734995],[46.92035558200964,4(...TRUNCATED) | [0.09298806637525558,0.09298806637525558,0.09298806637525558,0.09298806637525558,0.09298806637525558(...TRUNCATED) | {"C10":-379.6507568359375,"C12":16.867382049560547,"C21":-365.16009521484375,"C23":-312.662750244140(...TRUNCATED) |
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) | [
[
101.80000305175781,
0,
0
],
[
0,
101.80000305175781,
0
],
[
0,
0,
19.17957305908203
]
] | [[[46.893335562243244,46.89834027912659],[46.942072672323135,47.46528459207968],[47.00956320322127,4(...TRUNCATED) | [0.6874420046806335,0.6874420046806335,0.6874420046806335,0.6874420046806335,0.6874420046806335,0.17(...TRUNCATED) | {"C10":-274.83160400390625,"C12":31.702667236328125,"C21":-921.576171875,"C23":-291.19189453125,"C30(...TRUNCATED) |
README.md exists but content is empty.
- Downloads last month
- 10