{ "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 0 ] [ 0.5 0.5 0 ] [ 0.221345 0 0.676613 ] [ 0.778655 0 0.323387 ] [ 0.721345 0.5 0.676613 ] [ 0.278655 0.5 0.323387 ] [ 0.213059 0.5 0.582612 ] [ 0.786941 0.5 0.417388 ] [ 0.923815 0 0.240437 ] [ 0.866871 0.5 0.87686 ] [ 0.076185 0 0.759563 ] [ 0.133129 0.5 0.12314 ] [ 0.713059 0 0.582612 ] [ 0.286941 0 0.417388 ] [ 0.423815 0.5 0.240437 ] [ 0.366871 0 0.87686 ] [ 0.576185 0.5 0.759563 ] [ 0.633129 0 0.12314 ] ] } "species" { "source-value" [ "Mg" "Mg" "V" "V" "V" "V" "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" 9.76733254728 "source-unit" "angstrom" } "b" { "source-value" 3.53531431029 "source-unit" "angstrom" } "c" { "source-value" 7.05547228113 "source-unit" "angstrom" } "beta" { "source-value" 106.116413269 "source-unit" "degree" } }