{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.053372 0.5 ] [ 0.5 0.553372 0.5 ] [ 0 0.390357 0 ] [ 0.5 0.890357 0 ] [ 0.318413 0.172451 0.104816 ] [ 0.681587 0.172451 0.895184 ] [ 0 0.487152 0.5 ] [ 0.818413 0.672451 0.104816 ] [ 0.181587 0.672451 0.895184 ] [ 0.5 0.987152 0.5 ] [ 0 0.80261 0 ] [ 0.5 0.30261 0 ] [ 0.938651 0.800257 0.139591 ] [ 0.061349 0.800257 0.860409 ] [ 0.947422 0.394063 0.659846 ] [ 0.052578 0.394063 0.340154 ] [ 0.665662 0.045574 0.05007 ] [ 0.334338 0.045574 0.94993 ] [ 0.850117 0.223952 0.965024 ] [ 0.149883 0.223952 0.034976 ] [ 0.642035 0.097313 0.639016 ] [ 0.357965 0.097313 0.360984 ] [ 0.438651 0.300257 0.139591 ] [ 0.561349 0.300257 0.860409 ] [ 0.447422 0.894063 0.659846 ] [ 0.552578 0.894063 0.340154 ] [ 0.165662 0.545574 0.05007 ] [ 0.834338 0.545574 0.94993 ] [ 0.350117 0.723952 0.965024 ] [ 0.649883 0.723952 0.034976 ] [ 0.142035 0.597313 0.639016 ] [ 0.857965 0.597313 0.360984 ] ] } "species" { "source-value" [ "Cs" "Cs" "Ga" "Ga" "P" "P" "P" "P" "P" "P" "H" "H" "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" 9.17908384 "source-unit" "angstrom" } "b" { "source-value" 8.82919142164 "source-unit" "angstrom" } "c" { "source-value" 6.30166522694 "source-unit" "angstrom" } "beta" { "source-value" 111.842960367 "source-unit" "degree" } }