{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.514107 0.25 0.220198 ] [ 0.014107 0.75 0.279802 ] [ 0.985893 0.25 0.720198 ] [ 0.485893 0.75 0.779802 ] [ 0.565578 0.75 0.106076 ] [ 0.065578 0.25 0.393924 ] [ 0.934422 0.75 0.606076 ] [ 0.434422 0.25 0.893924 ] [ 0.340027 0.25 0.039008 ] [ 0.258236 0.75 0.114504 ] [ 0.702523 0.948349 0.176593 ] [ 0.702523 0.551651 0.176593 ] [ 0.202523 0.448349 0.323407 ] [ 0.202523 0.051651 0.323407 ] [ 0.758236 0.25 0.385496 ] [ 0.840027 0.75 0.460992 ] [ 0.159973 0.25 0.539008 ] [ 0.241764 0.75 0.614504 ] [ 0.797477 0.948349 0.676593 ] [ 0.797477 0.551651 0.676593 ] [ 0.297477 0.448349 0.823407 ] [ 0.297477 0.051651 0.823407 ] [ 0.741764 0.25 0.885496 ] [ 0.659973 0.75 0.960992 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "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" 4.98790114 "source-unit" "angstrom" } "b" { "source-value" 6.16704839 "source-unit" "angstrom" } "c" { "source-value" 10.22963894 "source-unit" "angstrom" } }