{ "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" [ [ 0.818077 0.5 0.394596 ] [ 0.181923 0.5 0.605404 ] [ 0.166556 0.5 0.071399 ] [ 0.833444 0.5 0.928601 ] [ 0.318077 0 0.394596 ] [ 0.681923 0 0.605404 ] [ 0.666556 0 0.071399 ] [ 0.333444 0 0.928601 ] [ 0.995098 0 0.297208 ] [ 0.004902 0 0.702792 ] [ 0.495098 0.5 0.297208 ] [ 0.504902 0.5 0.702792 ] [ 0.247953 0 0.119641 ] [ 0.766635 0.5 0.63446 ] [ 0.077584 0 0.514827 ] [ 0.233365 0.5 0.36554 ] [ 0.925534 0 0.827889 ] [ 0.106577 0 0.84663 ] [ 0.922416 0 0.485173 ] [ 0.893423 0 0.15337 ] [ 0.752047 0 0.880359 ] [ 0.074466 0 0.172111 ] [ 0.993031 0.5 0.313879 ] [ 0.006969 0.5 0.686121 ] [ 0.747953 0.5 0.119641 ] [ 0.266635 0 0.63446 ] [ 0.577584 0.5 0.514827 ] [ 0.733365 0 0.36554 ] [ 0.425534 0.5 0.827889 ] [ 0.606577 0.5 0.84663 ] [ 0.422416 0.5 0.485173 ] [ 0.393423 0.5 0.15337 ] [ 0.252047 0.5 0.880359 ] [ 0.574466 0.5 0.172111 ] [ 0.493031 0 0.313879 ] [ 0.506969 0 0.686121 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "W" "W" "W" "W" "O" "O" "O" "O" "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" 16.4819283531 "source-unit" "angstrom" } "b" { "source-value" 3.85529559375 "source-unit" "angstrom" } "c" { "source-value" 8.34198073706 "source-unit" "angstrom" } "beta" { "source-value" 101.705847765 "source-unit" "degree" } }