{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.311757 0 ] [ 0.005191 0.99187 0.272981 ] [ 0.994809 0.99187 0.727019 ] [ 0.5 0.811757 0 ] [ 0.505191 0.49187 0.272981 ] [ 0.494809 0.49187 0.727019 ] [ 0 0.348556 0.5 ] [ 0 0.652717 0 ] [ 0.5 0.848556 0.5 ] [ 0.5 0.152717 0 ] [ 0.273779 0.948323 0.505946 ] [ 0.726221 0.948323 0.494054 ] [ 0.98819 0.252314 0.319425 ] [ 0.01181 0.252314 0.680575 ] [ 0.019529 0.750691 0.8285 ] [ 0.980471 0.750691 0.1715 ] [ 0.274813 0.044562 0.991557 ] [ 0.725187 0.044562 0.008443 ] [ 0.773779 0.448323 0.505946 ] [ 0.226221 0.448323 0.494054 ] [ 0.48819 0.752314 0.319425 ] [ 0.51181 0.752314 0.680575 ] [ 0.519529 0.250691 0.8285 ] [ 0.480471 0.250691 0.1715 ] [ 0.774813 0.544562 0.991557 ] [ 0.225187 0.544562 0.008443 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "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" 5.62171063 "source-unit" "angstrom" } "b" { "source-value" 8.92011772 "source-unit" "angstrom" } "c" { "source-value" 7.2338136 "source-unit" "angstrom" } "beta" { "source-value" 90.53759404 "source-unit" "degree" } }