{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.761604 0.374662 0.508073 ] [ 0.238396 0.625338 0.491927 ] [ 0.261604 0.125338 0.508073 ] [ 0.738396 0.874662 0.491927 ] [ 0.760699 0.645418 0.934786 ] [ 0.739301 0.145418 0.065214 ] [ 0.239301 0.354582 0.065214 ] [ 0.260699 0.854582 0.934786 ] [ 0.673235 0.839564 0.99791 ] [ 0.173235 0.660436 0.99791 ] [ 0.826765 0.339564 0.00209 ] [ 0.326765 0.160436 0.00209 ] [ 0.238608 0.874122 0.568855 ] [ 0.261392 0.374122 0.431145 ] [ 0.761392 0.125878 0.431145 ] [ 0.738608 0.625878 0.568855 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65593517188 "source-unit" "angstrom" } "b" { "source-value" 11.69652601 "source-unit" "angstrom" } "c" { "source-value" 5.97274296605 "source-unit" "angstrom" } "beta" { "source-value" 90.4801161798 "source-unit" "degree" } }