{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.887154 0.25 ] [ 0 0.112846 0.75 ] [ 0.5 0.387154 0.25 ] [ 0.5 0.612846 0.75 ] [ 0.5 0.134077 0.434865 ] [ 0.5 0.865923 0.565135 ] [ 0.5 0.865923 0.934865 ] [ 0.5 0.134077 0.065135 ] [ 0 0.634077 0.434865 ] [ 0 0.365923 0.565135 ] [ 0 0.365923 0.934865 ] [ 0 0.634077 0.065135 ] [ 0 0.160532 0.25 ] [ 0 0.839468 0.75 ] [ 0.5 0.660532 0.25 ] [ 0.5 0.339468 0.75 ] [ 0.5 0.936148 0.75 ] [ 0.5 0.063852 0.25 ] [ 0.5 0.235226 0.889468 ] [ 0.5 0.764774 0.110532 ] [ 0.5 0.764774 0.389468 ] [ 0.5 0.235226 0.610532 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.436148 0.75 ] [ 0 0.563852 0.25 ] [ 0 0.735226 0.889468 ] [ 0 0.264774 0.110532 ] [ 0 0.264774 0.389468 ] [ 0 0.735226 0.610532 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.08845061 "source-unit" "angstrom" } "b" { "source-value" 13.98688344 "source-unit" "angstrom" } "c" { "source-value" 14.30799567 "source-unit" "angstrom" } }