{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.844549 0.25 0.534302 ] [ 0.155451 0.75 0.465698 ] [ 0.344549 0.75 0.965698 ] [ 0.655451 0.25 0.034302 ] [ 0.652925 0.75 0.618091 ] [ 0.347075 0.25 0.381909 ] [ 0.847075 0.75 0.118091 ] [ 0.152925 0.25 0.881909 ] [ 0.913461 0.550465 0.820753 ] [ 0.586539 0.949535 0.320753 ] [ 0.586539 0.550465 0.320753 ] [ 0.413461 0.449535 0.679247 ] [ 0.413461 0.050465 0.679247 ] [ 0.913461 0.949535 0.820753 ] [ 0.086539 0.050465 0.179247 ] [ 0.086539 0.449535 0.179247 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ga" "Ga" "Ga" "Ga" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.75923213 "source-unit" "angstrom" } "b" { "source-value" 7.09335008 "source-unit" "angstrom" } "c" { "source-value" 7.65134101 "source-unit" "angstrom" } }