{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.33962 0.75 ] [ 0.5 0.66038 0.25 ] [ 0 0.818906 0.75 ] [ 0 0.181094 0.25 ] [ 0.258702 0.377535 0.096313 ] [ 0.741298 0.377535 0.403687 ] [ 0.741298 0.622465 0.903687 ] [ 0.258702 0.622465 0.596313 ] [ 0.220153 0.890668 0.067971 ] [ 0.779847 0.890668 0.432029 ] [ 0.779847 0.109332 0.932029 ] [ 0.220153 0.109332 0.567971 ] ] } "species" { "source-value" [ "Ni" "Ni" "Mo" "Mo" "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" 4.65740643909 "source-unit" "angstrom" } "b" { "source-value" 5.75124018 "source-unit" "angstrom" } "c" { "source-value" 4.96613154083 "source-unit" "angstrom" } "beta" { "source-value" 90.1195059077 "source-unit" "degree" } }