{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.385685 0.385685 0.385685 ] [ 0.614315 0.614315 0.614315 ] [ 0.385685 0.114315 0.885685 ] [ 0.114315 0.614315 0.885685 ] [ 0.114315 0.885685 0.385685 ] [ 0.885685 0.385685 0.114315 ] [ 0.885685 0.114315 0.614315 ] [ 0.614315 0.885685 0.114315 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.795712 0.908654 0.063209 ] [ 0.563209 0.704288 0.091346 ] [ 0.091346 0.936791 0.204288 ] [ 0.5 0 0 ] [ 0.936791 0.295712 0.591346 ] [ 0.204288 0.408654 0.436791 ] [ 0.408654 0.063209 0.704288 ] [ 0.908654 0.436791 0.295712 ] [ 0.704288 0.408654 0.063209 ] [ 0.295712 0.591346 0.936791 ] [ 0.563209 0.795712 0.591346 ] [ 0.063209 0.795712 0.908654 ] [ 0.795712 0.591346 0.563209 ] [ 0.408654 0.436791 0.204288 ] [ 0.436791 0.204288 0.408654 ] [ 0.908654 0.063209 0.795712 ] [ 0.091346 0.563209 0.704288 ] [ 0.591346 0.936791 0.295712 ] [ 0 0.5 0 ] [ 0.704288 0.091346 0.563209 ] [ 0.936791 0.204288 0.091346 ] [ 0.204288 0.091346 0.936791 ] [ 0.063209 0.704288 0.408654 ] [ 0.295712 0.908654 0.436791 ] [ 0.591346 0.563209 0.795712 ] [ 0.436791 0.295712 0.908654 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.05729635 "source-unit" "angstrom" } }