{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.904204 0.849415 ] [ 0.5 0.095796 0.150585 ] [ 0.5 0.404204 0.650585 ] [ 0.5 0.595796 0.349415 ] [ 0 0.431109 0.939578 ] [ 0 0.931109 0.560422 ] [ 0 0.068891 0.439578 ] [ 0 0.568891 0.060422 ] [ 0 0.535176 0.840782 ] [ 0 0.035176 0.659218 ] [ 0 0.227987 0.950907 ] [ 0 0.964824 0.340782 ] [ 0 0.272013 0.450907 ] [ 0 0.772013 0.049093 ] [ 0 0.464824 0.159218 ] [ 0 0.727987 0.549093 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "C" "C" "C" "C" "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" 3.5044964 "source-unit" "angstrom" } "b" { "source-value" 6.21182462 "source-unit" "angstrom" } "c" { "source-value" 11.08983618 "source-unit" "angstrom" } }