{ "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" [ [ 0.137701 0.003446 0.978613 ] [ 0.362299 0.503446 0.521387 ] [ 0.862299 0.996554 0.021387 ] [ 0.637701 0.496554 0.478613 ] [ 0.138789 0.186445 0.861108 ] [ 0.361211 0.686445 0.638892 ] [ 0.861211 0.813555 0.138892 ] [ 0.638789 0.313555 0.361108 ] [ 0.275197 0.823372 0.074303 ] [ 0.224803 0.323372 0.425697 ] [ 0.724803 0.176628 0.925697 ] [ 0.775197 0.676628 0.574303 ] ] } "species" { "source-value" [ "N" "N" "N" "N" "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" 6.19645790043 "source-unit" "angstrom" } "b" { "source-value" 4.95106809 "source-unit" "angstrom" } "c" { "source-value" 6.71713023163 "source-unit" "angstrom" } "beta" { "source-value" 116.134944196 "source-unit" "degree" } }