{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.307402 0.849934 0.728583 ] [ 0.692598 0.849934 0.771417 ] [ 0.692598 0.150066 0.271417 ] [ 0.307402 0.150066 0.228583 ] [ 0.807402 0.349934 0.728583 ] [ 0.192598 0.349934 0.771417 ] [ 0.192598 0.650066 0.271417 ] [ 0.807402 0.650066 0.228583 ] [ 0 0.837272 0.75 ] [ 0 0.162728 0.25 ] [ 0.5 0.337272 0.75 ] [ 0.5 0.662728 0.25 ] [ 0.129956 0.352883 0.136143 ] [ 0.129956 0.647117 0.636143 ] [ 0.102807 0.104364 0.571578 ] [ 0.897193 0.104364 0.928422 ] [ 0.897193 0.895636 0.428422 ] [ 0.102807 0.895636 0.071578 ] [ 0.870044 0.647117 0.863857 ] [ 0.870044 0.352883 0.363857 ] [ 0.629956 0.852883 0.136143 ] [ 0.629956 0.147117 0.636143 ] [ 0.602807 0.604364 0.571578 ] [ 0.397193 0.604364 0.928422 ] [ 0.397193 0.395636 0.428422 ] [ 0.602807 0.395636 0.071578 ] [ 0.370044 0.147117 0.863857 ] [ 0.370044 0.852883 0.363857 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "W" "W" "W" "W" "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" 10.006566572 "source-unit" "angstrom" } "b" { "source-value" 5.97456966564 "source-unit" "angstrom" } "c" { "source-value" 5.17026873697 "source-unit" "angstrom" } "beta" { "source-value" 91.5484066156 "source-unit" "degree" } }