{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.693744 0 0.874743 ] [ 0.193744 0.5 0.874743 ] [ 0.004632 0 0.025078 ] [ 0.831978 0.5 0.644844 ] [ 0.445663 0.5 0.40757 ] [ 0.504632 0.5 0.025078 ] [ 0.331978 0 0.644844 ] [ 0.945663 0 0.40757 ] [ 0.883299 0 0.104268 ] [ 0.694109 0.5 0.690756 ] [ 0.964283 0.5 0.588072 ] [ 0.148959 0 0.998001 ] [ 0.383299 0.5 0.104268 ] [ 0.194109 0 0.690756 ] [ 0.464283 0 0.588072 ] [ 0.648959 0.5 0.998001 ] ] } "species" { "source-value" [ "Ti" "Ti" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 11.79294341 "source-unit" "angstrom" } "b" { "source-value" 2.97352885 "source-unit" "angstrom" } "c" { "source-value" 7.27693673 "source-unit" "angstrom" } "beta" { "source-value" 125.45108371 "source-unit" "degree" } }