{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.023367 0.615056 0.251911 ] [ 0.976633 0.384944 0.748089 ] [ 0.616907 0.227284 0.204365 ] [ 0.383093 0.772716 0.795635 ] [ 1 0 0.5 ] [ 0.799643 0.442159 0.151313 ] [ 0.200358 0.557841 0.848687 ] [ 0.519775 0.239844 0.383542 ] [ 0.480225 0.760156 0.616458 ] [ 0.29062 0.553625 0.296457 ] [ 0.70938 0.446375 0.703543 ] [ 0.872105 0.65016 0.409836 ] [ 0.181873 0.904216 0.793832 ] [ 0.818127 0.095784 0.206168 ] [ 0.915467 0.206126 0.853305 ] [ 0.084533 0.793874 0.146695 ] [ 0.621401 0.82554 0.928288 ] [ 0.378599 0.17446 0.071712 ] [ 0.127895 0.34984 0.590164 ] ] } "species" { "source-value" [ "V" "V" "P" "P" "P" "P" "Pb" "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" 4.8906278487 "source-unit" "angstrom" } "b" { "source-value" 7.21923212281 "source-unit" "angstrom" } "c" { "source-value" 8.06653564845 "source-unit" "angstrom" } "alpha" { "source-value" 89.6052007341 "source-unit" "degree" } "beta" { "source-value" 92.8486981822 "source-unit" "degree" } "gamma" { "source-value" 106.267410877 "source-unit" "degree" } }