{ "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 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.65193 0.25 ] [ 0 0.34807 0.75 ] [ 0.5 0.15193 0.25 ] [ 0.5 0.84807 0.75 ] [ 0 0.761428 0.462239 ] [ 0 0.238572 0.537761 ] [ 0.251968 0.971171 0.75 ] [ 0.748032 0.028829 0.25 ] [ 0 0.761428 0.037761 ] [ 0 0.238572 0.962239 ] [ 0.748032 0.971171 0.75 ] [ 0.251968 0.028829 0.25 ] [ 0.5 0.261428 0.462239 ] [ 0.5 0.738572 0.537761 ] [ 0.751968 0.471171 0.75 ] [ 0.248032 0.528829 0.25 ] [ 0.5 0.261428 0.037761 ] [ 0.5 0.738572 0.962239 ] [ 0.248032 0.471171 0.75 ] [ 0.751968 0.528829 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "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" 5.57750980597 "source-unit" "angstrom" } "b" { "source-value" 8.12484570066 "source-unit" "angstrom" } "c" { "source-value" 6.67532806 "source-unit" "angstrom" } }