{ "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" [ [ 0.014708 0.94102 0.748792 ] [ 0.485292 0.44102 0.751208 ] [ 0.985292 0.05898 0.251208 ] [ 0.514708 0.55898 0.248792 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.313716 0.711231 0.551164 ] [ 0.186284 0.211231 0.948836 ] [ 0.686284 0.288769 0.448836 ] [ 0.813716 0.788769 0.051164 ] [ 0.791387 0.807705 0.451827 ] [ 0.708613 0.307705 0.048173 ] [ 0.208613 0.192295 0.548173 ] [ 0.291387 0.692295 0.951827 ] [ 0.903978 0.530572 0.758142 ] [ 0.596022 0.030572 0.741858 ] [ 0.403978 0.969428 0.258142 ] [ 0.096022 0.469428 0.241858 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ni" "Ni" "Os" "Os" "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" 5.40987030489 "source-unit" "angstrom" } "b" { "source-value" 5.62127215 "source-unit" "angstrom" } "c" { "source-value" 7.71487973992 "source-unit" "angstrom" } "beta" { "source-value" 90.2552185308 "source-unit" "degree" } }