{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.875039 0.630041 ] [ 0.75 0.624961 0.130041 ] [ 0.25 0.375039 0.869959 ] [ 0.75 0.124961 0.369959 ] [ 0.75 0.855546 0.729532 ] [ 0.25 0.644454 0.229532 ] [ 0.75 0.355546 0.770468 ] [ 0.25 0.144454 0.270468 ] [ 0.75 0.952107 0.475766 ] [ 0.25 0.899692 0.175484 ] [ 0.065213 0.869288 0.753817 ] [ 0.434787 0.869288 0.753817 ] [ 0.75 0.793028 0.009148 ] [ 0.25 0.706972 0.509148 ] [ 0.934787 0.630712 0.253817 ] [ 0.565213 0.630712 0.253817 ] [ 0.75 0.600308 0.675484 ] [ 0.25 0.547893 0.975766 ] [ 0.75 0.452107 0.024234 ] [ 0.25 0.399692 0.324516 ] [ 0.434787 0.369288 0.746183 ] [ 0.065213 0.369288 0.746183 ] [ 0.75 0.293028 0.490852 ] [ 0.25 0.206972 0.990852 ] [ 0.934787 0.130712 0.246183 ] [ 0.565213 0.130712 0.246183 ] [ 0.75 0.100308 0.824516 ] [ 0.25 0.047893 0.524234 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "P" "P" "P" "P" "W" "W" "W" "W" "O" "O" "O" "O" "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" 6.65924608 "source-unit" "angstrom" } "b" { "source-value" 7.54117836 "source-unit" "angstrom" } "c" { "source-value" 7.61360027 "source-unit" "angstrom" } }