{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.331268 0.910684 0.378862 ] [ 0.331268 0.589316 0.878862 ] [ 0.668732 0.410684 0.121138 ] [ 0.668732 0.089316 0.621138 ] [ 0.797047 0.32127 0.556826 ] [ 0.202953 0.82127 0.943174 ] [ 0.797047 0.17873 0.056826 ] [ 0.202953 0.67873 0.443174 ] [ 0.110474 0.099199 0.313973 ] [ 0.889526 0.900801 0.686027 ] [ 0.55393 0.290453 0.279372 ] [ 0.55393 0.209547 0.779372 ] [ 0.357267 0.131296 0.540448 ] [ 0.44607 0.709547 0.720628 ] [ 0.642733 0.631296 0.959552 ] [ 0.357267 0.368704 0.040448 ] [ 0.889526 0.599199 0.186027 ] [ 0.44607 0.790453 0.220628 ] [ 0.642733 0.868704 0.459552 ] [ 0.110474 0.400801 0.813973 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.87112686574 "source-unit" "angstrom" } "b" { "source-value" 5.38240287 "source-unit" "angstrom" } "c" { "source-value" 9.69663142416 "source-unit" "angstrom" } "beta" { "source-value" 90.3516654969 "source-unit" "degree" } }