{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.284325 0.75 0.955905 ] [ 0.784325 0.25 0.544095 ] [ 0.715675 0.25 0.044095 ] [ 0.215675 0.75 0.455905 ] [ 0.644892 0.047783 0.316326 ] [ 0.144892 0.952217 0.183674 ] [ 0.355108 0.547783 0.683674 ] [ 0.855108 0.452217 0.816326 ] [ 0.355108 0.952217 0.683674 ] [ 0.855108 0.047783 0.816326 ] [ 0.644892 0.452217 0.316326 ] [ 0.144892 0.547783 0.183674 ] [ 0.851116 0.051187 0.21874 ] [ 0.351116 0.948813 0.28126 ] [ 0.148884 0.551187 0.78126 ] [ 0.648884 0.448813 0.71874 ] [ 0.148884 0.948813 0.78126 ] [ 0.648884 0.051187 0.71874 ] [ 0.851116 0.448813 0.21874 ] [ 0.351116 0.551187 0.28126 ] [ 0.764441 0.962071 0.413443 ] [ 0.264441 0.037929 0.086557 ] [ 0.235559 0.462071 0.586557 ] [ 0.735559 0.537929 0.913443 ] [ 0.057856 0.75 0.162057 ] [ 0.557856 0.25 0.337943 ] [ 0.942144 0.25 0.837943 ] [ 0.442144 0.75 0.662057 ] [ 0.264441 0.462071 0.086557 ] [ 0.764441 0.537929 0.413443 ] [ 0.735559 0.962071 0.913443 ] [ 0.235559 0.037929 0.586557 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 4.70813772 "source-unit" "angstrom" } "b" { "source-value" 7.79185427 "source-unit" "angstrom" } "c" { "source-value" 13.72438281 "source-unit" "angstrom" } }