{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.741378 0.5 0 ] [ 0.258622 0.5 0 ] [ 0 0.262926 0.733319 ] [ 0.5 0.762926 0.766681 ] [ 0.758622 0 0.5 ] [ 0.241378 0 0.5 ] [ 0.5 0.237074 0.233319 ] [ 0 0.737074 0.266681 ] [ 0 0.778655 0.851939 ] [ 0.5 0.278655 0.648061 ] [ 0.5 0.721345 0.351939 ] [ 0 0.221345 0.148061 ] [ 0.811257 0.796681 0.977042 ] [ 0.188743 0.796681 0.977042 ] [ 0.5 0.431629 0.806261 ] [ 0 0.568971 0.785332 ] [ 0.5 0.068971 0.714668 ] [ 0 0.931629 0.693739 ] [ 0.688743 0.296681 0.522958 ] [ 0.311257 0.296681 0.522958 ] [ 0.688743 0.703319 0.477042 ] [ 0.311257 0.703319 0.477042 ] [ 0 0.068371 0.306261 ] [ 0.5 0.931029 0.285332 ] [ 0 0.431029 0.214668 ] [ 0.5 0.568371 0.193739 ] [ 0.811257 0.203319 0.022958 ] [ 0.188743 0.203319 0.022958 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "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" 7.15767311 "source-unit" "angstrom" } "b" { "source-value" 7.57162578 "source-unit" "angstrom" } "c" { "source-value" 7.64514649 "source-unit" "angstrom" } }