{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.317361 0 0.270359 ] [ 0.682639 0 0.729641 ] [ 0.890049 0 0.096859 ] [ 0.109951 0 0.903141 ] [ 0.975264 0 0.65475 ] [ 0.58879 0 0.166231 ] [ 0.41121 0 0.833769 ] [ 0.024736 0 0.34525 ] [ 0.852141 0 0.909214 ] [ 0.546333 0 0.562658 ] [ 0.453667 0 0.437342 ] [ 0.147859 0 0.090786 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Br" "Br" "Br" "Br" "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" 7.55303554476 "source-unit" "angstrom" } "b" { "source-value" 3.266267365 "source-unit" "angstrom" } "c" { "source-value" 10.4852897319 "source-unit" "angstrom" } "beta" { "source-value" 103.045941694 "source-unit" "degree" } }