{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.077612 0.229857 ] [ 0 0.577612 0.270143 ] [ 0.5 0.922388 0.770143 ] [ 0 0.422388 0.729857 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.727262 0.342653 ] [ 0.5 0.272738 0.657347 ] [ 0 0.772738 0.842653 ] [ 0 0.227262 0.157347 ] ] } "species" { "source-value" [ "Rb" "Rb" "Na" "Na" "Na" "Na" "Au" "Au" "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" 4.12824278 "source-unit" "angstrom" } "b" { "source-value" 5.66298783 "source-unit" "angstrom" } "c" { "source-value" 10.0826347 "source-unit" "angstrom" } }