{ "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" [ [ 0.208216 0.049631 0.719784 ] [ 0.791784 0.549631 0.280216 ] [ 0.786237 0.275755 0.908316 ] [ 0.213763 0.775755 0.091684 ] [ 0.591648 0.869154 0.473337 ] [ 0.408352 0.369154 0.526663 ] [ 0.622875 0.133853 0.920911 ] [ 0.040071 0.240564 0.853691 ] [ 0.959929 0.740564 0.146309 ] [ 0.885139 0.369773 0.09224 ] [ 0.781503 0.006941 0.513061 ] [ 0.736017 0.714458 0.498901 ] [ 0.601207 0.366311 0.40855 ] [ 0.377125 0.633853 0.079089 ] [ 0.218497 0.506941 0.486939 ] [ 0.589677 0.389425 0.749798 ] [ 0.410323 0.889425 0.250202 ] [ 0.398793 0.866311 0.59145 ] [ 0.263983 0.214458 0.501099 ] [ 0.114861 0.869773 0.90776 ] ] } "species" { "source-value" [ "Bi" "Bi" "P" "P" "P" "P" "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" 5.21128259865 "source-unit" "angstrom" } "b" { "source-value" 8.80519818 "source-unit" "angstrom" } "c" { "source-value" 7.41763347821 "source-unit" "angstrom" } "beta" { "source-value" 109.625378709 "source-unit" "degree" } }