{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.759618 0.064512 ] [ 0.75 0.240382 0.935488 ] [ 0.25 0.259618 0.435488 ] [ 0.75 0.740382 0.564512 ] [ 0.998705 0.065662 0.687008 ] [ 0.498705 0.934338 0.312992 ] [ 0.501295 0.565662 0.812992 ] [ 0.001295 0.434338 0.187008 ] [ 0.001295 0.934338 0.312992 ] [ 0.501295 0.065662 0.687008 ] [ 0.498705 0.434338 0.187008 ] [ 0.998705 0.565662 0.812992 ] [ 0.75 0.44492 0.393958 ] [ 0.25 0.55508 0.606042 ] [ 0.75 0.94492 0.106042 ] [ 0.25 0.05508 0.893958 ] [ 0.75 0.185557 0.253249 ] [ 0.25 0.814443 0.746751 ] [ 0.75 0.685557 0.246751 ] [ 0.25 0.314443 0.753249 ] [ 0.75 0.089738 0.483874 ] [ 0.25 0.910262 0.516126 ] [ 0.75 0.589738 0.016126 ] [ 0.25 0.410262 0.983874 ] [ 0.25 0.639429 0.362023 ] [ 0.75 0.360571 0.637977 ] [ 0.25 0.139429 0.137977 ] [ 0.75 0.860571 0.862023 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.03529413 "source-unit" "angstrom" } "b" { "source-value" 8.23457124 "source-unit" "angstrom" } "c" { "source-value" 10.37949111 "source-unit" "angstrom" } }