{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.064686 0 0.292701 ] [ 0.876931 0.5 0.689644 ] [ 0.645038 0.5 0.191635 ] [ 0.369223 0 0.810991 ] [ 0.919619 0 0.604517 ] [ 0.566035 0 0.107669 ] [ 0.445668 0.5 0.888549 ] [ 0.076839 0.5 0.397068 ] [ 0.864829 0 0.452465 ] [ 0.779077 0.199877 0.670681 ] [ 0.779077 0.800123 0.670681 ] [ 0.776565 0.5 0.365938 ] [ 0.738746 0.5 0.861269 ] [ 0.734403 0.193172 0.177922 ] [ 0.734403 0.806828 0.177922 ] [ 0.611214 0 0.955424 ] [ 0.420049 0.5 0.042721 ] [ 0.286785 0.697951 0.824835 ] [ 0.286785 0.302049 0.824835 ] [ 0.277187 0 0.13174 ] [ 0.218165 0 0.636254 ] [ 0.208754 0.708187 0.336187 ] [ 0.208754 0.291813 0.336187 ] [ 0.111168 0.5 0.552168 ] ] } "species" { "source-value" [ "Co" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.13334357 "source-unit" "angstrom" } "b" { "source-value" 5.98561788 "source-unit" "angstrom" } "c" { "source-value" 9.99827274 "source-unit" "angstrom" } "beta" { "source-value" 92.92754798 "source-unit" "degree" } }