{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.685826 0.5 ] [ 0 0.314174 0.5 ] [ 0.5 0.185826 0.5 ] [ 0.5 0.814174 0.5 ] [ 0.201442 0 0.905415 ] [ 0.798558 0 0.094585 ] [ 0.701442 0.5 0.905415 ] [ 0.298558 0.5 0.094585 ] [ 0.203239 0.168652 0.716651 ] [ 0.796761 0.168652 0.283349 ] [ 0.796761 0.831348 0.283349 ] [ 0.203239 0.831348 0.716651 ] [ 0 0 0 ] [ 0.399434 0 0.23374 ] [ 0.600566 0 0.76626 ] [ 0.703239 0.668652 0.716651 ] [ 0.296761 0.668652 0.283349 ] [ 0.296761 0.331348 0.283349 ] [ 0.703239 0.331348 0.716651 ] [ 0.5 0.5 0 ] [ 0.899434 0.5 0.23374 ] [ 0.100566 0.5 0.76626 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "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" 7.50705689987 "source-unit" "angstrom" } "b" { "source-value" 8.35403438437 "source-unit" "angstrom" } "c" { "source-value" 5.01974661765 "source-unit" "angstrom" } "beta" { "source-value" 112.81787851 "source-unit" "degree" } }