{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.09454 0.401842 0.162889 ] [ 0.40546 0.901842 0.337111 ] [ 0.59454 0.098158 0.662889 ] [ 0.90546 0.598158 0.837111 ] [ 0.081668 0.335145 0.717343 ] [ 0.418332 0.835145 0.782657 ] [ 0.581668 0.164855 0.217343 ] [ 0.918332 0.664855 0.282657 ] [ 0.451402 0.763535 0.53308 ] [ 0.548598 0.236465 0.46692 ] [ 0.048598 0.263535 0.96692 ] [ 0.673676 0.547529 0.254438 ] [ 0.951402 0.736465 0.03308 ] [ 0.826324 0.047529 0.245562 ] [ 0.326324 0.452471 0.745562 ] [ 0.173676 0.952471 0.754438 ] [ 0.120071 0.482436 0.286863 ] [ 0.379929 0.982436 0.213137 ] [ 0.879929 0.517564 0.713137 ] [ 0.620071 0.017564 0.786863 ] ] } "species" { "source-value" [ "Cu" "Cu" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "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" 6.00299038908 "source-unit" "angstrom" } "b" { "source-value" 7.38959896 "source-unit" "angstrom" } "c" { "source-value" 6.55418914659 "source-unit" "angstrom" } "beta" { "source-value" 91.2995427965 "source-unit" "degree" } }