{ "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" [ [ 0.481508 0.197756 0.748111 ] [ 0.518492 0.697756 0.751889 ] [ 0.481508 0.302244 0.248111 ] [ 0.518492 0.802244 0.251889 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.148832 0.605581 0.758462 ] [ 0.148832 0.894419 0.258462 ] [ 0.304719 0.18852 0.002837 ] [ 0.304719 0.31148 0.502837 ] [ 0.339216 0.943571 0.669671 ] [ 0.339216 0.556429 0.169671 ] [ 0.660784 0.443571 0.830329 ] [ 0.660784 0.056429 0.330329 ] [ 0.695281 0.68852 0.497163 ] [ 0.695281 0.81148 0.997163 ] [ 0.851168 0.105581 0.741538 ] [ 0.851168 0.394419 0.241538 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "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" 4.70912309 "source-unit" "angstrom" } "b" { "source-value" 6.78166696 "source-unit" "angstrom" } "c" { "source-value" 6.23274991 "source-unit" "angstrom" } "beta" { "source-value" 94.51788193 "source-unit" "degree" } }