{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.850358 0.5 0.078335 ] [ 0.149642 0.5 0.921665 ] [ 0.350358 0 0.078335 ] [ 0.649642 0 0.921665 ] [ 0.780986 0.5 0.775752 ] [ 0.911628 0.281638 0.12731 ] [ 0.219014 0.5 0.224248 ] [ 0.911628 0.718362 0.12731 ] [ 0.090049 0 0.336649 ] [ 0.909951 0 0.663351 ] [ 0.216284 0.5 0.722449 ] [ 0.088372 0.718362 0.87269 ] [ 0.088372 0.281638 0.87269 ] [ 0.783716 0.5 0.277551 ] [ 0.280986 0 0.775752 ] [ 0.411628 0.781638 0.12731 ] [ 0.719014 0 0.224248 ] [ 0.411628 0.218362 0.12731 ] [ 0.590049 0.5 0.336649 ] [ 0.409951 0.5 0.663351 ] [ 0.716284 0 0.722449 ] [ 0.588372 0.218362 0.87269 ] [ 0.588372 0.781638 0.87269 ] [ 0.283716 0 0.277551 ] ] } "species" { "source-value" [ "U" "U" "Cu" "Cu" "Cu" "Cu" "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" 14.2953685156 "source-unit" "angstrom" } "b" { "source-value" 5.82643932472 "source-unit" "angstrom" } "c" { "source-value" 5.08973501214 "source-unit" "angstrom" } "beta" { "source-value" 106.358482217 "source-unit" "degree" } }