{
"property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt"
"instance-id" 1
"space-group" {
"source-value" "P1"
}
"basis-atom-coordinates" {
"source-value" [
[
0.90428
0.665025
0.442867
]
[
0.330098
0.238047
0.439628
]
[
0.327962
0.094706
0.940629
]
[
0.902194
0.231019
0.941073
]
[
0.765477
0.094278
0.438363
]
[
0.335937
0.66735
0.896938
]
[
0.968298
0.942177
0.996157
]
[
0.00055
0.004197
0.502355
]
[
0.433316
0.002092
0.748151
]
[
0.564543
0.00057
0.25234
]
[
0.999186
0.563601
0.247968
]
[
0.00141
0.434256
0.748125
]
[
0.570739
0.567768
0.75074
]
[
0.438182
0.438053
0.246092
]
[
0.777965
0.695887
0.157636
]
[
0.917446
0.691833
0.658889
]
[
0.310571
0.228594
0.656087
]
[
0.66642
0.331779
0.870173
]
[
0.668629
0.337152
0.369409
]
[
0.312079
0.086542
0.155379
]
[
0.219317
0.91657
0.336815
]
[
0.911318
0.224986
0.156739
]
[
0.08836
0.77947
0.841836
]
[
0.774919
0.085669
0.656084
]
[
0.69272
0.912065
0.83683
]
[
0.335148
0.666503
0.633489
]
[
0.33399
0.667654
0.133823
]
[
0.693505
0.776889
0.342035
]
[
0.087039
0.306406
0.336954
]
[
0.221901
0.309632
0.838313
]
[
0.793543
0.784727
0.423637
]
[
0.744965
0.659222
0.671673
]
[
0.998974
0.790007
0.921977
]
[
0.912811
0.655003
0.171066
]
[
0.618008
0.53757
0.170698
]
[
0.6582
0.474196
0.822922
]
[
0.466889
0.384822
0.673639
]
[
0.215495
0.206469
0.916266
]
[
0.342636
0.25856
0.172728
]
[
0.816853
0.488678
0.327566
]
[
0.915923
0.533464
0.675964
]
[
0.517563
0.330829
0.323981
]
[
0.671886
0.335146
0.974186
]
[
0.667865
0.350081
0.473707
]
[
0.516366
0.182313
0.832508
]
[
0.908153
0.3816
0.175783
]
[
0.817224
0.335425
0.827032
]
[
0.341112
0.089369
0.672181
]
[
0.192654
0.983562
0.238441
]
[
0.20521
0.008726
0.416037
]
[
0.232195
0.024047
0.06369
]
[
0.467886
0.088925
0.171085
]
[
0.675587
0.18927
0.335585
]
[
0.262401
0.917542
0.841311
]
[
0.62162
0.088079
0.671
]
[
0.9175
0.256588
0.674222
]
[
0.015484
0.803681
0.743929
]
[
0.983289
0.767621
0.567073
]
[
0.99487
0.200703
0.415926
]
[
0.084132
0.740922
0.338851
]
[
0.380379
0.922773
0.328719
]
[
0.743435
0.086801
0.174316
]
[
0.333177
0.81031
0.676316
]
[
0.530666
0.90511
0.829815
]
[
0.797838
0.004953
0.916027
]
[
0.795375
0.026293
0.563839
]
[
0.787864
0.981324
0.739145
]
[
0.657215
0.913578
0.342971
]
[
0.181869
0.661594
0.178369
]
[
0.095761
0.624129
0.83096
]
[
0.477448
0.811087
0.176115
]
[
0.325637
0.659657
0.029529
]
[
0.329777
0.653521
0.530295
]
[
0.480304
0.662835
0.681016
]
[
0.079253
0.460724
0.327465
]
[
0.185315
0.519223
0.682314
]
[
0.655958
0.737519
0.837013
]
[
0.794833
0.802071
0.247386
]
[
0.793487
0.784563
0.071224
]
[
0.538207
0.61711
0.327293
]
[
0.332953
0.518471
0.178097
]
[
0.374715
0.473387
0.830258
]
[
0.080913
0.343457
0.842593
]
[
0.976535
0.221091
0.063833
]
[
0.019242
0.213932
0.238393
]
[
0.262236
0.345925
0.339208
]
[
0.232015
0.213286
0.563808
]
[
0.194775
0.217572
0.739471
]
]
}
"species" {
"source-value" [
"Li"
"Li"
"Li"
"Li"
"Li"
"Li"
"Li"
"Li"
"V"
"V"
"V"
"V"
"V"
"V"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"P"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
"O"
]
}
"cauchy-stress" {
"source-value" [
0
0
0
0
0
0
]
"source-unit" "GPa"
}
"temperature" {
"source-value" 0
"source-unit" "K"
}
"a" {
"source-value" 9.74857666
"source-unit" "angstrom"
}
"b" {
"source-value" 9.78095943
"source-unit" "angstrom"
}
"c" {
"source-value" 14.25203879
"source-unit" "angstrom"
}
"alpha" {
"source-value" 89.9904263
"source-unit" "degree"
}
"beta" {
"source-value" 90.16006281
"source-unit" "degree"
}
"gamma" {
"source-value" 119.83857257
"source-unit" "degree"
}
}