{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.704605 ] [ 0 0 0.295395 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.204605 ] [ 0.5 0.5 0.795395 ] [ 0.5 0.141206 0.843854 ] [ 0 0.717396 0.140099 ] [ 0.5 0.858795 0.843854 ] [ 0.5 0.682654 0 ] [ 0 0.717396 0.859901 ] [ 0 0.5 0 ] [ 0 0.282604 0.140099 ] [ 0.5 0.317346 0 ] [ 0.5 0.141206 0.156146 ] [ 0 0.282604 0.859901 ] [ 0.5 0.858795 0.156146 ] [ 0 0.641205 0.343854 ] [ 0.5 0.217396 0.640099 ] [ 0 0.358795 0.343854 ] [ 0 0.182654 0.5 ] [ 0.5 0.217396 0.359901 ] [ 0.5 0 0.5 ] [ 0.5 0.782604 0.640099 ] [ 0 0.817346 0.5 ] [ 0 0.641205 0.656146 ] [ 0.5 0.782604 0.359901 ] [ 0 0.358795 0.656146 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46534853 "source-unit" "angstrom" } "b" { "source-value" 8.7965308 "source-unit" "angstrom" } "c" { "source-value" 13.28684276 "source-unit" "angstrom" } }