{ "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 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.933736 0 0.289969 ] [ 0.066264 0 0.710031 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.433736 0.5 0.289969 ] [ 0.566264 0.5 0.710031 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.753119 0.5 0.737362 ] [ 0.750369 0.5 0.269039 ] [ 0.011966 0.740054 0.249496 ] [ 0.011966 0.259946 0.249496 ] [ 0.988034 0.740054 0.750504 ] [ 0.988034 0.259946 0.750504 ] [ 0.249631 0.5 0.730961 ] [ 0.246881 0.5 0.262638 ] [ 0.253119 0 0.737362 ] [ 0.250369 0 0.269039 ] [ 0.511966 0.240054 0.249496 ] [ 0.511966 0.759946 0.249496 ] [ 0.488034 0.240054 0.750504 ] [ 0.488034 0.759946 0.750504 ] [ 0.749631 0 0.730961 ] [ 0.746881 0 0.262638 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 10.53914187 "source-unit" "angstrom" } "b" { "source-value" 6.02496438 "source-unit" "angstrom" } "c" { "source-value" 6.06784089 "source-unit" "angstrom" } "beta" { "source-value" 124.92251414 "source-unit" "degree" } }