{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.211332 0.988055 0.185382 ] [ 0.266103 0.499476 0.511792 ] [ 0.788668 0.488055 0.814618 ] [ 0.733897 0.999476 0.488208 ] [ 0.336055 0.562918 0.987763 ] [ 0.663945 0.062918 0.012237 ] [ 0.243791 0.988844 0.782349 ] [ 0.756209 0.488844 0.217651 ] [ 0.804303 0.172823 0.203025 ] [ 0.857441 0.569501 0.401812 ] [ 0.529506 0.021178 0.811366 ] [ 0.470494 0.521178 0.188634 ] [ 0.12083 0.149805 0.910458 ] [ 0.195697 0.672823 0.796975 ] [ 0.142559 0.069501 0.598188 ] [ 0.87917 0.649805 0.089542 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cu" "Cu" "As" "As" "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" 6.16701585094 "source-unit" "angstrom" } "b" { "source-value" 5.48876576 "source-unit" "angstrom" } "c" { "source-value" 8.94657760882 "source-unit" "angstrom" } "beta" { "source-value" 99.4648337921 "source-unit" "degree" } }