{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.400608 0.296738 ] [ 0.25 0.233258 0.524077 ] [ 0.25 0.099392 0.796738 ] [ 0.25 0.599392 0.703262 ] [ 0.75 0.266742 0.024077 ] [ 0.25 0.733258 0.975923 ] [ 0.75 0.900608 0.203262 ] [ 0.75 0.766742 0.475923 ] [ 0.75 0.116411 0.412112 ] [ 0.75 0.297318 0.701767 ] [ 0.75 0.797318 0.798233 ] [ 0.25 0.702682 0.298233 ] [ 0.75 0.465678 0.593754 ] [ 0.25 0.883589 0.587888 ] [ 0.75 0.616411 0.087888 ] [ 0.25 0.034322 0.093754 ] [ 0.75 0.965678 0.906246 ] [ 0.25 0.383589 0.912112 ] [ 0.25 0.534322 0.406246 ] [ 0.25 0.202682 0.201767 ] [ 0.25 0.010855 0.349529 ] [ 0.75 0.989145 0.650471 ] [ 0.75 0.489145 0.849529 ] [ 0.25 0.510855 0.150471 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 4.21200817 "source-unit" "angstrom" } "b" { "source-value" 7.78466504 "source-unit" "angstrom" } "c" { "source-value" 16.34684314 "source-unit" "angstrom" } }