{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.854496 ] [ 0.5 0.5 0.145504 ] [ 0 0 0.354496 ] [ 0 0 0.645504 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.835638 ] [ 0 0 0.164362 ] [ 0 0.5 0 ] [ 0.5 0.5 0.335638 ] [ 0.5 0.5 0.664362 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Cr" "Cr" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.56166398535 "source-unit" "angstrom" } "b" { "source-value" 3.78859900809 "source-unit" "angstrom" } "c" { "source-value" 12.9170740777 "source-unit" "angstrom" } }