{ "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" [ [ 0.987164 0.053263 0.752768 ] [ 0.512836 0.553263 0.747232 ] [ 0.487164 0.446737 0.252768 ] [ 0.012836 0.946737 0.247232 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.906393 0.530533 0.258609 ] [ 0.593607 0.030533 0.241391 ] [ 0.093607 0.469467 0.741391 ] [ 0.406393 0.969467 0.758609 ] [ 0.309568 0.714453 0.051762 ] [ 0.190432 0.214453 0.448238 ] [ 0.690432 0.285547 0.948238 ] [ 0.809568 0.785547 0.551762 ] [ 0.789224 0.805787 0.954843 ] [ 0.710776 0.305787 0.545157 ] [ 0.210776 0.194213 0.045157 ] [ 0.289224 0.694213 0.454843 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ni" "Ni" "W" "W" "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" 5.45718061987 "source-unit" "angstrom" } "b" { "source-value" 5.62712307 "source-unit" "angstrom" } "c" { "source-value" 7.78623824328 "source-unit" "angstrom" } "beta" { "source-value" 90.3835754601 "source-unit" "degree" } }