{ "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 0.658999 0 ] [ 0.5 0.841001 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.158999 0 ] [ 0 0.341001 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.667296 0.5 ] [ 0 0.832704 0.5 ] [ 0 0.167296 0.5 ] [ 0.5 0.332704 0.5 ] [ 0.754927 0.176753 0.731476 ] [ 0.745073 0.323247 0.268524 ] [ 0.754927 0.823247 0.731476 ] [ 0.776326 0 0.264331 ] [ 0.745073 0.676753 0.268524 ] [ 0.723674 0.5 0.735669 ] [ 0.254927 0.676753 0.731476 ] [ 0.245073 0.823247 0.268524 ] [ 0.254927 0.323247 0.731476 ] [ 0.276326 0.5 0.264331 ] [ 0.245073 0.176753 0.268524 ] [ 0.223674 0 0.735669 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Hf" "Hf" "Hf" "Hf" "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" 5.39898788 "source-unit" "angstrom" } "b" { "source-value" 9.31811274 "source-unit" "angstrom" } "c" { "source-value" 5.27993008 "source-unit" "angstrom" } "beta" { "source-value" 110.16240715 "source-unit" "degree" } }