{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.158687 0.25 ] [ 0 0.841313 0.75 ] [ 0.5 0.658687 0.25 ] [ 0.5 0.341313 0.75 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.872723 0.34268 0.329738 ] [ 0.109494 0.103092 0.680761 ] [ 0.127277 0.65732 0.670262 ] [ 0.127277 0.34268 0.170262 ] [ 0.872723 0.65732 0.829738 ] [ 0.890506 0.896908 0.319239 ] [ 0.109494 0.896908 0.180761 ] [ 0.890506 0.103092 0.819239 ] [ 0.372723 0.84268 0.329738 ] [ 0.609494 0.603092 0.680761 ] [ 0.627277 0.15732 0.670262 ] [ 0.627277 0.84268 0.170262 ] [ 0.372723 0.15732 0.829738 ] [ 0.390506 0.396908 0.319239 ] [ 0.609494 0.396908 0.180761 ] [ 0.390506 0.603092 0.819239 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.1057481239 "source-unit" "angstrom" } "b" { "source-value" 6.41459126147 "source-unit" "angstrom" } "c" { "source-value" 5.02851852919 "source-unit" "angstrom" } "beta" { "source-value" 113.606859763 "source-unit" "degree" } }