{ "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 0.830046 ] [ 0.5 0.5 0.169954 ] [ 0 0 0.330046 ] [ 0 0 0.669954 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.755901 0.846694 ] [ 0 0.244099 0.153306 ] [ 0 0.755901 0.153306 ] [ 0.5 0.22456 0 ] [ 0 0.244099 0.846694 ] [ 0.5 0.77544 0 ] [ 0.5 0.255901 0.346694 ] [ 0.5 0.744099 0.653306 ] [ 0.5 0.255901 0.653306 ] [ 0 0.72456 0.5 ] [ 0.5 0.744099 0.346694 ] [ 0 0.27544 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "U" "U" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.08642983796 "source-unit" "angstrom" } "b" { "source-value" 5.60141420524 "source-unit" "angstrom" } "c" { "source-value" 11.3602787532 "source-unit" "angstrom" } }