{ "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 0.13644 0.75 ] [ 0 0.86356 0.25 ] [ 0.5 0.63644 0.75 ] [ 0.5 0.36356 0.25 ] [ 0.5 0.903845 0.75 ] [ 0.5 0.096155 0.25 ] [ 0 0.403845 0.75 ] [ 0 0.596155 0.25 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.93381483751 "source-unit" "angstrom" } "b" { "source-value" 11.2807255582 "source-unit" "angstrom" } "c" { "source-value" 4.48305824 "source-unit" "angstrom" } }