{ "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" [ [ 0.37172 0 0.648641 ] [ 0.62828 0 0.351359 ] [ 0 0.19862 0.5 ] [ 0 0.80138 0.5 ] [ 0 0.2644 0 ] [ 0 0.7356 0 ] [ 0.87172 0.5 0.648641 ] [ 0.12828 0.5 0.351359 ] [ 0.5 0.69862 0.5 ] [ 0.5 0.30138 0.5 ] [ 0.5 0.7644 0 ] [ 0.5 0.2356 0 ] [ 0.838719 0 0.853827 ] [ 0.161281 0 0.146173 ] [ 0.338719 0.5 0.853827 ] [ 0.661281 0.5 0.146173 ] [ 0.718502 0.130302 0.737873 ] [ 0.281498 0.130302 0.262127 ] [ 0.281498 0.869698 0.262127 ] [ 0.718502 0.869698 0.737873 ] [ 0.898282 0 0.142778 ] [ 0.101718 0 0.857222 ] [ 0.218502 0.630302 0.737873 ] [ 0.781498 0.630302 0.262127 ] [ 0.781498 0.369698 0.262127 ] [ 0.218502 0.369698 0.737873 ] [ 0.398282 0.5 0.142778 ] [ 0.601718 0.5 0.857222 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Al" "Al" "Al" "Al" "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" 7.03447708 "source-unit" "angstrom" } "b" { "source-value" 11.20293623 "source-unit" "angstrom" } "c" { "source-value" 6.56091157 "source-unit" "angstrom" } "beta" { "source-value" 102.54883613 "source-unit" "degree" } }