{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.151321 0.230138 0.23044 ] [ 0.848679 0.769862 0.76956 ] [ 0.636852 0.22415 0.730604 ] [ 0.363148 0.77585 0.269396 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.152629 0.522597 0.86462 ] [ 0.847371 0.477403 0.13538 ] [ 0.3377 0.460899 0.632991 ] [ 0.6623 0.539101 0.367009 ] [ 0.327105 0.798193 0.636863 ] [ 0.672895 0.201807 0.363137 ] [ 0.839914 0.816014 0.144878 ] [ 0.160086 0.183986 0.855122 ] [ 0.300261 0.16853 0.777292 ] [ 0.699739 0.83147 0.222708 ] [ 0.952096 0.104327 0.757021 ] [ 0.047904 0.895673 0.242979 ] [ 0.191793 0.122278 0.974528 ] [ 0.808207 0.877722 0.025472 ] [ 0.196468 0.388797 0.93011 ] [ 0.803532 0.611203 0.06989 ] [ 0.703229 0.143173 0.484311 ] [ 0.296771 0.856827 0.515689 ] [ 0.822681 0.198382 0.293805 ] [ 0.177319 0.801618 0.706195 ] [ 0.46848 0.112947 0.259279 ] [ 0.53152 0.887053 0.740721 ] [ 0.691251 0.405482 0.437021 ] [ 0.308749 0.594518 0.562979 ] [ 0.281591 0.694218 0.969571 ] [ 0.718409 0.305782 0.030429 ] [ 0.738205 0.711588 0.483866 ] [ 0.261795 0.288412 0.516134 ] [ 0.460385 0.488038 0.273714 ] [ 0.539615 0.511962 0.726286 ] [ 0.803463 0.53481 0.278924 ] [ 0.196537 0.46519 0.721076 ] [ 0.943602 0.500243 0.819074 ] [ 0.056398 0.499757 0.180926 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68279159769 "source-unit" "angstrom" } "b" { "source-value" 8.77616801962 "source-unit" "angstrom" } "c" { "source-value" 10.7728541762 "source-unit" "angstrom" } "alpha" { "source-value" 108.103580941 "source-unit" "degree" } "beta" { "source-value" 104.220725911 "source-unit" "degree" } "gamma" { "source-value" 102.518624831 "source-unit" "degree" } }