{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.192872 0.333966 0.497085 ] [ 0.692872 0.166034 0.997085 ] [ 0.687341 0.241915 0.691532 ] [ 0.687341 0.758085 0.191532 ] [ 0.692872 0.833966 0.497085 ] [ 0.192872 0.666034 0.997085 ] [ 0.187341 0.741915 0.691532 ] [ 0.187341 0.258085 0.191532 ] [ 0.991521 0.653817 0.229111 ] [ 0.491521 0.846183 0.729111 ] [ 0.491521 0.153817 0.229111 ] [ 0.991521 0.346183 0.729111 ] [ 0.878771 0.433413 0.111185 ] [ 0.162261 0.521315 0.414396 ] [ 0.662261 0.978685 0.914396 ] [ 0.378771 0.066587 0.611185 ] [ 0.081001 0.831882 0.48353 ] [ 0.914365 0.856364 0.019662 ] [ 0.414365 0.643636 0.519662 ] [ 0.581001 0.668118 0.98353 ] [ 0.378771 0.933413 0.111185 ] [ 0.662261 0.021315 0.414396 ] [ 0.162261 0.478685 0.914396 ] [ 0.878771 0.566587 0.611185 ] [ 0.581001 0.331882 0.48353 ] [ 0.414365 0.356364 0.019662 ] [ 0.914365 0.143636 0.519662 ] [ 0.081001 0.168118 0.98353 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "S" "S" "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" 16.7788057243 "source-unit" "angstrom" } "b" { "source-value" 4.76534974 "source-unit" "angstrom" } "c" { "source-value" 9.86602063693 "source-unit" "angstrom" } "beta" { "source-value" 154.311617023 "source-unit" "degree" } }