{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.104723 0.419534 0.75127 ] [ 0.42698 0.297819 0.638658 ] [ 0.57302 0.202181 0.138658 ] [ 0.07302 0.797819 0.361342 ] [ 0.07302 0.297819 0.138658 ] [ 0.57302 0.702181 0.361342 ] [ 0.42698 0.797819 0.861342 ] [ 0.92698 0.202181 0.638658 ] [ 0.89825 0.82855 0.171468 ] [ 0.39825 0.17145 0.328532 ] [ 0.60175 0.32855 0.828532 ] [ 0.10175 0.67145 0.671468 ] [ 0.10175 0.17145 0.828532 ] [ 0.60175 0.82855 0.671468 ] [ 0.39825 0.67145 0.171468 ] [ 0.89825 0.32855 0.328532 ] [ 0.91426 0.158208 0.001524 ] [ 0.41426 0.841792 0.498476 ] [ 0.58574 0.658208 0.998476 ] [ 0.08574 0.341792 0.501524 ] [ 0.08574 0.841792 0.998476 ] [ 0.58574 0.158208 0.501524 ] [ 0.41426 0.341792 0.001524 ] [ 0.91426 0.658208 0.498476 ] [ 0.920914 0.93915 0.565559 ] [ 0.395277 0.919534 0.24873 ] [ 0.604723 0.580466 0.74873 ] [ 0.92698 0.702181 0.861342 ] [ 0.104723 0.919534 0.74873 ] [ 0.604723 0.080466 0.75127 ] [ 0.395277 0.419534 0.25127 ] [ 0.895277 0.580466 0.24873 ] [ 0.920914 0.43915 0.934441 ] [ 0.420914 0.56085 0.565559 ] [ 0.579086 0.93915 0.065559 ] [ 0.079086 0.06085 0.434441 ] [ 0.079086 0.56085 0.065559 ] [ 0.579086 0.43915 0.434441 ] [ 0.420914 0.06085 0.934441 ] [ 0.895277 0.080466 0.25127 ] [ 0.824844 0.460546 0.62411 ] [ 0.324844 0.539454 0.87589 ] [ 0.675156 0.960546 0.37589 ] [ 0.175156 0.039454 0.12411 ] [ 0.175156 0.539454 0.37589 ] [ 0.675156 0.460546 0.12411 ] [ 0.324844 0.039454 0.62411 ] [ 0.824844 0.960546 0.87589 ] [ 0.863369 0.047886 0.120453 ] [ 0.363369 0.952114 0.379547 ] [ 0.636631 0.547886 0.879547 ] [ 0.136631 0.452114 0.620453 ] [ 0.136631 0.952114 0.879547 ] [ 0.636631 0.047886 0.620453 ] [ 0.363369 0.452114 0.120453 ] [ 0.863369 0.547886 0.379547 ] [ 0.803694 0.368905 0.045753 ] [ 0.303694 0.631095 0.454247 ] [ 0.696306 0.868905 0.954247 ] [ 0.196306 0.131095 0.545753 ] [ 0.196306 0.631095 0.954247 ] [ 0.696306 0.368905 0.545753 ] [ 0.303694 0.131095 0.045753 ] [ 0.803694 0.868905 0.454247 ] [ 0.735529 0.373555 0.711562 ] [ 0.235529 0.626445 0.788438 ] [ 0.764471 0.873555 0.288438 ] [ 0.264471 0.126445 0.211562 ] [ 0.264471 0.626445 0.288438 ] [ 0.764471 0.373555 0.211562 ] [ 0.235529 0.126445 0.711562 ] [ 0.735529 0.873555 0.788438 ] [ 0.737701 0.136321 0.874446 ] [ 0.237701 0.863679 0.625554 ] [ 0.762299 0.636321 0.125554 ] [ 0.262299 0.363679 0.374446 ] [ 0.262299 0.863679 0.125554 ] [ 0.762299 0.136321 0.374446 ] [ 0.237701 0.363679 0.874446 ] [ 0.737701 0.636321 0.625554 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" "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" 5.98263538 "source-unit" "angstrom" } "b" { "source-value" 10.34112753 "source-unit" "angstrom" } "c" { "source-value" 18.05970872 "source-unit" "angstrom" } }