{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.846652 0.819334 0.25 ] [ 0.153348 0.180666 0.75 ] [ 0.846652 0.180666 0.25 ] [ 0.153348 0.819334 0.75 ] [ 0.346652 0.319334 0.25 ] [ 0.653348 0.680666 0.75 ] [ 0.346652 0.680666 0.25 ] [ 0.653348 0.319334 0.75 ] [ 0.791042 0 0.75 ] [ 0.208958 0 0.25 ] [ 0.291042 0.5 0.75 ] [ 0.708958 0.5 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "As" "As" "As" "As" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.14564729 "source-unit" "angstrom" } "b" { "source-value" 8.92692173 "source-unit" "angstrom" } "c" { "source-value" 5.83694752 "source-unit" "angstrom" } }