{ "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 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.022355 0.75 0.850594 ] [ 0.522355 0.25 0.649406 ] [ 0.977645 0.25 0.149406 ] [ 0.477645 0.75 0.350594 ] [ 0.982699 0.75 0.177233 ] [ 0.482699 0.25 0.322767 ] [ 0.017301 0.25 0.822767 ] [ 0.517301 0.75 0.677233 ] [ 0.960581 0.75 0.332163 ] [ 0.460581 0.25 0.167837 ] [ 0.039419 0.25 0.667837 ] [ 0.539419 0.75 0.832163 ] [ 0.252602 0.75 0.134977 ] [ 0.752602 0.25 0.365023 ] [ 0.747398 0.25 0.865023 ] [ 0.247398 0.75 0.634977 ] [ 0.857953 0.922029 0.121405 ] [ 0.357953 0.077971 0.378595 ] [ 0.142047 0.422029 0.878595 ] [ 0.642047 0.577971 0.621405 ] [ 0.142047 0.077971 0.878595 ] [ 0.642047 0.922029 0.621405 ] [ 0.857953 0.577971 0.121405 ] [ 0.357953 0.422029 0.378595 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "S" "S" "S" "S" "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" 5.34119859 "source-unit" "angstrom" } "b" { "source-value" 7.0658724 "source-unit" "angstrom" } "c" { "source-value" 9.66644 "source-unit" "angstrom" } }