{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.983301 0.732889 0.81244 ] [ 0.516699 0.267111 0.31244 ] [ 0.016699 0.232889 0.68756 ] [ 0.483301 0.767111 0.18756 ] [ 0.500806 0.43569 0.957483 ] [ 0.000806 0.06431 0.042517 ] [ 0.499194 0.93569 0.542517 ] [ 0.999194 0.56431 0.457483 ] [ 0.063717 0.972295 0.365295 ] [ 0.936283 0.472295 0.134705 ] [ 0.563717 0.527705 0.634705 ] [ 0.436283 0.027705 0.865295 ] [ 0.834645 0.526473 0.278776 ] [ 0.745928 0.97684 0.375303 ] [ 0.754072 0.02316 0.875303 ] [ 0.793406 0.605617 0.031878 ] [ 0.206594 0.105617 0.468122 ] [ 0.665355 0.473527 0.778776 ] [ 0.305524 0.220433 0.896315 ] [ 0.194476 0.779567 0.396315 ] [ 0.254072 0.47684 0.124697 ] [ 0.245928 0.52316 0.624697 ] [ 0.165355 0.026473 0.221224 ] [ 0.334645 0.973527 0.721224 ] [ 0.694476 0.720433 0.603685 ] [ 0.706594 0.394383 0.531878 ] [ 0.805524 0.279567 0.103685 ] [ 0.293406 0.894383 0.968122 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 4.84793744 "source-unit" "angstrom" } "b" { "source-value" 7.3116403 "source-unit" "angstrom" } "c" { "source-value" 9.83824586 "source-unit" "angstrom" } }