{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.000798 0.053189 0.336078 ] [ 0.500798 0.446811 0.663922 ] [ 0.999202 0.553189 0.163922 ] [ 0.499202 0.946811 0.836078 ] [ 0.500798 0.053189 0.163922 ] [ 0.000798 0.446811 0.836078 ] [ 0.499202 0.553189 0.336078 ] [ 0.999202 0.946811 0.663922 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.606656 0.964395 0.3465 ] [ 0.106656 0.535605 0.6535 ] [ 0.393344 0.464395 0.1535 ] [ 0.893344 0.035605 0.8465 ] [ 0.393344 0.035605 0.6535 ] [ 0.893344 0.464395 0.3465 ] [ 0.606656 0.535605 0.8465 ] [ 0.106656 0.964395 0.1535 ] [ 0.795708 0.20881 0.545018 ] [ 0.295708 0.29119 0.454982 ] [ 0.204292 0.70881 0.954982 ] [ 0.704292 0.79119 0.045018 ] [ 0.295708 0.20881 0.954982 ] [ 0.795708 0.29119 0.045018 ] [ 0.704292 0.70881 0.545018 ] [ 0.204292 0.79119 0.454982 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "U" "U" "U" "U" "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" 5.84254845 "source-unit" "angstrom" } "b" { "source-value" 6.0084075 "source-unit" "angstrom" } "c" { "source-value" 11.90406428 "source-unit" "angstrom" } }