{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.711114 0.25 0.177743 ] [ 0.288886 0.75 0.822257 ] [ 0.283499 0.25 0.283639 ] [ 0.716501 0.75 0.716361 ] [ 0.079723 0.25 0.600487 ] [ 0.920277 0.75 0.399513 ] [ 0.92209 0.75 0.154277 ] [ 0.07791 0.25 0.845723 ] [ 0.749106 0.25 0.443789 ] [ 0.250894 0.75 0.556211 ] [ 0.4561 0.75 0.1182 ] [ 0.5439 0.25 0.8818 ] ] } "species" { "source-value" [ "Ti" "Ti" "Tl" "Tl" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.70482857 "source-unit" "angstrom" } "b" { "source-value" 3.98034933 "source-unit" "angstrom" } "c" { "source-value" 10.57462084 "source-unit" "angstrom" } "beta" { "source-value" 113.4204635 "source-unit" "degree" } }