{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.764004 0.499062 0.219882 ] [ 0.764004 0.000938 0.219882 ] [ 0.235996 0.500938 0.780118 ] [ 0.235996 0.999062 0.780118 ] [ 0.210617 0.25 0.342629 ] [ 0.789383 0.75 0.657371 ] [ 0.293465 0.75 0.424182 ] [ 0.706535 0.25 0.575818 ] [ 0.271001 0.25 0.074449 ] [ 0.728999 0.75 0.925551 ] [ 0.69597 0.75 0.059763 ] [ 0.050871 0.25 0.134307 ] [ 0.457756 0.25 0.172111 ] [ 0.207406 0.952343 0.321795 ] [ 0.207406 0.547657 0.321795 ] [ 0.855009 0.25 0.411065 ] [ 0.611436 0.75 0.451691 ] [ 0.388564 0.25 0.548309 ] [ 0.144991 0.75 0.588935 ] [ 0.792594 0.452343 0.678205 ] [ 0.792594 0.047657 0.678205 ] [ 0.542244 0.75 0.827889 ] [ 0.949129 0.75 0.865693 ] [ 0.30403 0.25 0.940237 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "As" "As" "C" "C" "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" 5.377148 "source-unit" "angstrom" } "b" { "source-value" 6.73384416 "source-unit" "angstrom" } "c" { "source-value" 9.21440532 "source-unit" "angstrom" } "beta" { "source-value" 91.08894966 "source-unit" "degree" } }