{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.814665 0.865443 0.755043 ] [ 0.814665 0.634557 0.255043 ] [ 0.185335 0.365443 0.744957 ] [ 0.185335 0.134557 0.244957 ] [ 0.705076 0.153638 0.755493 ] [ 0.705076 0.346362 0.255493 ] [ 0.294924 0.653638 0.744507 ] [ 0.294924 0.846362 0.244507 ] [ 0.795393 0.697903 0.781711 ] [ 0.691726 0.39756 0.559911 ] [ 0.699306 0.305283 0.917208 ] [ 0.795393 0.802097 0.281711 ] [ 0.745206 0.012737 0.648481 ] [ 0.691726 0.10244 0.059911 ] [ 0.699306 0.194717 0.417208 ] [ 0.745206 0.487263 0.148481 ] [ 0.254794 0.512737 0.851519 ] [ 0.300694 0.805283 0.582792 ] [ 0.308274 0.89756 0.940089 ] [ 0.254794 0.987263 0.351519 ] [ 0.204607 0.197903 0.718289 ] [ 0.300694 0.694717 0.082792 ] [ 0.308274 0.60244 0.440089 ] [ 0.204607 0.302097 0.218289 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.08189407 "source-unit" "angstrom" } "b" { "source-value" 20.97855175 "source-unit" "angstrom" } "c" { "source-value" 10.09807399 "source-unit" "angstrom" } "beta" { "source-value" 90.0172787 "source-unit" "degree" } }