{ "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" [ [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.741092 0.531231 0.731093 ] [ 0.258908 0.468769 0.268907 ] [ 0.258908 0.031231 0.768907 ] [ 0.5 0 0.5 ] [ 0.741092 0.968769 0.231093 ] [ 0 0 0 ] [ 0.718893 0.800194 0.075294 ] [ 0.718893 0.699806 0.575294 ] [ 0.281107 0.300194 0.424706 ] [ 0.281107 0.199806 0.924706 ] [ 0.47821 0.799658 0.320745 ] [ 0.224266 0.814739 0.588055 ] [ 0.984515 0.80094 0.824121 ] [ 0.47821 0.700342 0.820745 ] [ 0.224266 0.685261 0.088055 ] [ 0.984515 0.69906 0.324121 ] [ 0.775734 0.314739 0.911945 ] [ 0.015485 0.30094 0.675879 ] [ 0.52179 0.299658 0.179255 ] [ 0.015485 0.19906 0.175879 ] [ 0.52179 0.200342 0.679255 ] [ 0.775734 0.185261 0.411945 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.71663486 "source-unit" "angstrom" } "b" { "source-value" 4.73604845 "source-unit" "angstrom" } "c" { "source-value" 10.39074847 "source-unit" "angstrom" } "beta" { "source-value" 96.60171555 "source-unit" "degree" } }