{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0 0.872586 0.75 ] [ 0.5 0.627414 0.25 ] [ 0.5 0.372586 0.75 ] [ 0 0.127414 0.25 ] [ 0.78545 0.070176 0.708908 ] [ 0.71455 0.570176 0.791092 ] [ 0.71455 0.429824 0.291092 ] [ 0.78545 0.929824 0.208908 ] [ 0.28545 0.570176 0.708908 ] [ 0.21455 0.070176 0.791092 ] [ 0.21455 0.929824 0.291092 ] [ 0.28545 0.429824 0.208908 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Pb" "Pb" "Pb" "Pb" "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" 8.24699653231 "source-unit" "angstrom" } "b" { "source-value" 8.39109943167 "source-unit" "angstrom" } "c" { "source-value" 6.08686993437 "source-unit" "angstrom" } "beta" { "source-value" 132.466352908 "source-unit" "degree" } }