{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.691382 0.326716 ] [ 0.25 0.130769 0.883299 ] [ 0.75 0.869231 0.116701 ] [ 0.25 0.369231 0.383299 ] [ 0.75 0.058386 0.354508 ] [ 0.25 0.558386 0.145492 ] [ 0.75 0.441614 0.854508 ] [ 0.25 0.941614 0.645492 ] [ 0.75 0.808618 0.826716 ] [ 0.75 0.630769 0.616701 ] [ 0.25 0.191382 0.173284 ] [ 0.25 0.308618 0.673284 ] [ 0.25 0.616529 0.745335 ] [ 0.75 0.116529 0.754665 ] [ 0.75 0.383471 0.254665 ] [ 0.25 0.883471 0.245335 ] [ 0.75 0.234692 0.780687 ] [ 0.25 0.765308 0.219313 ] [ 0.25 0.734692 0.719313 ] [ 0.75 0.265308 0.280687 ] [ 0.25 0.999125 0.252145 ] [ 0.75 0.499125 0.247855 ] [ 0.25 0.500875 0.752145 ] [ 0.75 0.000875 0.747855 ] [ 0.25 0.890987 0.962131 ] [ 0.25 0.138999 0.499573 ] [ 0.25 0.361001 0.999573 ] [ 0.75 0.109013 0.037869 ] [ 0.75 0.390987 0.537869 ] [ 0.75 0.861001 0.500427 ] [ 0.25 0.609013 0.462131 ] [ 0.75 0.638999 0.000427 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "C" "C" "C" "C" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.0898121 "source-unit" "angstrom" } "b" { "source-value" 11.78330863 "source-unit" "angstrom" } "c" { "source-value" 14.68718722 "source-unit" "angstrom" } }