{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.01015 0.65865 0.254935 ] [ 0.51015 0.34135 0.245065 ] [ 0.01015 0.65865 0.745065 ] [ 0.51015 0.34135 0.754935 ] [ 0.018606 0.137305 0 ] [ 0.518606 0.862695 0.5 ] [ 0.495595 0.823797 0 ] [ 0.995595 0.176203 0.5 ] [ 0.180023 0.820778 0 ] [ 0.593877 0.08916 0 ] [ 0.0958 0.306927 0.289437 ] [ 0.5958 0.693073 0.210563 ] [ 0.093877 0.91084 0.5 ] [ 0.680023 0.179222 0.5 ] [ 0.5958 0.693073 0.789437 ] [ 0.0958 0.306927 0.710563 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "B" "B" "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" 4.7197678 "source-unit" "angstrom" } "b" { "source-value" 5.45339985 "source-unit" "angstrom" } "c" { "source-value" 5.87253471 "source-unit" "angstrom" } }