{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.651269 0.25 0.056701 ] [ 0.151269 0.75 0.443299 ] [ 0.348731 0.75 0.943299 ] [ 0.848731 0.25 0.556701 ] [ 0.178912 0.25 0.900456 ] [ 0.678912 0.75 0.599544 ] [ 0.821088 0.75 0.099544 ] [ 0.321088 0.25 0.400456 ] [ 0.104598 0.25 0.732794 ] [ 0.604598 0.75 0.767206 ] [ 0.895402 0.75 0.267206 ] [ 0.395402 0.25 0.232794 ] [ 0.674218 0.575625 0.067033 ] [ 0.174218 0.424375 0.432967 ] [ 0.325782 0.075625 0.932967 ] [ 0.825782 0.924375 0.567033 ] [ 0.325782 0.424375 0.932967 ] [ 0.825782 0.575625 0.567033 ] [ 0.674218 0.924375 0.067033 ] [ 0.174218 0.075625 0.432967 ] [ 0.506133 0.25 0.512578 ] [ 0.006133 0.75 0.987422 ] [ 0.493867 0.75 0.487422 ] [ 0.993867 0.25 0.012578 ] [ 0.692216 0.25 0.7941 ] [ 0.192216 0.75 0.7059 ] [ 0.307784 0.75 0.2059 ] [ 0.807784 0.25 0.2941 ] ] } "species" { "source-value" [ "Np" "Np" "Np" "Np" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.41705795 "source-unit" "angstrom" } "b" { "source-value" 6.99804946 "source-unit" "angstrom" } "c" { "source-value" 8.67139343 "source-unit" "angstrom" } }