{ "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 0.882568 0.75 ] [ 0 0.117432 0.25 ] [ 0.5 0.382568 0.75 ] [ 0.5 0.617432 0.25 ] [ 0.5 0.189888 0.948462 ] [ 0.5 0.810112 0.051538 ] [ 0.5 0.810112 0.448462 ] [ 0.5 0.189888 0.551538 ] [ 0 0.925019 0.25 ] [ 0 0.074981 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.689888 0.948462 ] [ 0 0.310112 0.051538 ] [ 0 0.310112 0.448462 ] [ 0 0.689888 0.551538 ] [ 0.5 0.425019 0.25 ] [ 0.5 0.574981 0.75 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.777172 0.25 ] [ 0 0.222828 0.75 ] [ 0.5 0.277172 0.25 ] [ 0.5 0.722828 0.75 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Co" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.12918973921 "source-unit" "angstrom" } "b" { "source-value" 15.7099953448 "source-unit" "angstrom" } "c" { "source-value" 6.51772833 "source-unit" "angstrom" } }