{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.692053 0.5 ] [ 0 0.307947 0.5 ] [ 0.5 0.192053 0.5 ] [ 0.5 0.807947 0.5 ] [ 0.240164 0 0.900342 ] [ 0.759836 0 0.099658 ] [ 0.740164 0.5 0.900342 ] [ 0.259836 0.5 0.099658 ] [ 0.237471 0.166211 0.709641 ] [ 0.762529 0.166211 0.290359 ] [ 0.762529 0.833789 0.290359 ] [ 0.237471 0.833789 0.709641 ] [ 0 0 0 ] [ 0.405649 0 0.225382 ] [ 0.594351 0 0.774618 ] [ 0.737471 0.666211 0.709641 ] [ 0.262529 0.666211 0.290359 ] [ 0.262529 0.333789 0.290359 ] [ 0.737471 0.333789 0.709641 ] [ 0.5 0.5 0 ] [ 0.905649 0.5 0.225382 ] [ 0.094351 0.5 0.774618 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "As" "As" "As" "As" "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" 6.56040662079 "source-unit" "angstrom" } "b" { "source-value" 8.68436748815 "source-unit" "angstrom" } "c" { "source-value" 4.87417560352 "source-unit" "angstrom" } "beta" { "source-value" 101.758349648 "source-unit" "degree" } }