{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.321744 0.25 ] [ 0 0.678256 0.75 ] [ 0.5 0.821744 0.25 ] [ 0.5 0.178256 0.75 ] [ 0.151765 0 0 ] [ 0.848235 0 0.5 ] [ 0.848235 0 0 ] [ 0.151765 0 0.5 ] [ 0.651765 0.5 0 ] [ 0.348235 0.5 0.5 ] [ 0.348235 0.5 0 ] [ 0.651765 0.5 0.5 ] [ 0 0.884529 0.25 ] [ 0 0.115471 0.75 ] [ 0.280921 0.117908 0.25 ] [ 0.719079 0.882092 0.75 ] [ 0.280921 0.882092 0.75 ] [ 0.719079 0.117908 0.25 ] [ 0.5 0.384529 0.25 ] [ 0.5 0.615471 0.75 ] [ 0.780921 0.617908 0.25 ] [ 0.219079 0.382092 0.75 ] [ 0.780921 0.382092 0.75 ] [ 0.219079 0.617908 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0236167496 "source-unit" "angstrom" } "b" { "source-value" 13.0163367634 "source-unit" "angstrom" } "c" { "source-value" 5.62208108 "source-unit" "angstrom" } }