{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1b" } "basis-atom-coordinates" { "source-value" [ [ 0.733672 0.748544 0.030422 ] [ 0.266328 0.748544 0.530422 ] [ 0.266328 0.248544 0.969578 ] [ 0.733672 0.248544 0.469578 ] [ 0.46355 0.501564 0.229014 ] [ 0.93308 0.605892 0.36396 ] [ 0.06692 0.605892 0.86396 ] [ 0.53645 0.501564 0.729014 ] [ 0.93308 0.105892 0.13604 ] [ 0.53645 0.001564 0.770986 ] [ 0.06692 0.105892 0.63604 ] [ 0.46355 0.001564 0.270986 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.13195681 "source-unit" "angstrom" } "b" { "source-value" 5.1592203 "source-unit" "angstrom" } "c" { "source-value" 5.3493887 "source-unit" "angstrom" } }