{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmm2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.075661 ] [ 0 0.5 0.410896 ] [ 0 0.5 0.745455 ] [ 0.5 0 0.243143 ] [ 0.5 0 0.578671 ] [ 0.5 0 0.910969 ] [ 0 0 0.137975 ] [ 0 0 0.644686 ] [ 0 0 0.476958 ] [ 0 0 0.812491 ] [ 0 0 0.308331 ] [ 0.5 0.5 0.678211 ] [ 0.5 0.5 0.008927 ] [ 0.5 0.5 0.177412 ] [ 0.5 0.5 0.344586 ] [ 0.5 0.5 0.511307 ] [ 0.5 0.5 0.84451 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "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" 3.63388208 "source-unit" "angstrom" } "b" { "source-value" 3.63705297 "source-unit" "angstrom" } "c" { "source-value" 15.7783729 "source-unit" "angstrom" } }