{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.095529 0.143022 0.020796 ] [ 0.904471 0.856978 0.979204 ] [ 0.595529 0.356978 0.020796 ] [ 0.404471 0.643022 0.979204 ] [ 0.668365 0.170179 0.357688 ] [ 0.168365 0.329821 0.357688 ] [ 0.831635 0.670179 0.642312 ] [ 0.331635 0.829821 0.642312 ] [ 0.411757 0.906697 0.222272 ] [ 0.588243 0.093303 0.777728 ] [ 0.911757 0.593303 0.222272 ] [ 0.088243 0.406697 0.777728 ] [ 0.9614 0.212915 0.267683 ] [ 0.4614 0.287085 0.267683 ] [ 0.823987 0.039692 0.879902 ] [ 0.832047 0.665905 0.398175 ] [ 0.591602 0.01636 0.276612 ] [ 0.55611 0.815719 0.090828 ] [ 0.323987 0.460308 0.879902 ] [ 0.5386 0.712915 0.732317 ] [ 0.0386 0.787085 0.732317 ] [ 0.676013 0.539692 0.120098 ] [ 0.94389 0.315719 0.909172 ] [ 0.667953 0.165905 0.601825 ] [ 0.05611 0.684281 0.090828 ] [ 0.091602 0.48364 0.276612 ] [ 0.176013 0.960308 0.120098 ] [ 0.408398 0.98364 0.723388 ] [ 0.908398 0.51636 0.723388 ] [ 0.332047 0.834095 0.398175 ] [ 0.167953 0.334095 0.601825 ] [ 0.44389 0.184281 0.909172 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "P" "P" "P" "P" "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" 5.31395022128 "source-unit" "angstrom" } "b" { "source-value" 10.47514406 "source-unit" "angstrom" } "c" { "source-value" 7.19392719117 "source-unit" "angstrom" } "beta" { "source-value" 90.636708972 "source-unit" "degree" } }