{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.543647 0.122726 0.085897 ] [ 0.456353 0.622726 0.414103 ] [ 0.543647 0.377274 0.585897 ] [ 0.456353 0.877274 0.914103 ] [ 0.353926 0.222332 0.119728 ] [ 0.799866 0.20536 0.179017 ] [ 0.646074 0.722332 0.380272 ] [ 0.200134 0.70536 0.320983 ] [ 0.799866 0.29464 0.679017 ] [ 0.353926 0.277668 0.619728 ] [ 0.200134 0.79464 0.820983 ] [ 0.646074 0.777668 0.880272 ] ] } "species" { "source-value" [ "Mg" "Mg" "C" "C" "C" "C" "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" 5.42724289 "source-unit" "angstrom" } "b" { "source-value" 5.11990769 "source-unit" "angstrom" } "c" { "source-value" 6.13849369 "source-unit" "angstrom" } "beta" { "source-value" 120.57738416 "source-unit" "degree" } }