{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.999849 0.073505 0.502514 ] [ 0.999849 0.926495 0.002514 ] [ 0.499849 0.573505 0.502514 ] [ 0.499849 0.426495 0.002514 ] [ 0.057129 0.428799 0.195659 ] [ 0.057129 0.571201 0.695659 ] [ 0.557129 0.928799 0.195659 ] [ 0.557129 0.071201 0.695659 ] [ 0.829513 0.68064 0.275207 ] [ 0.981509 0.424073 0.927619 ] [ 0.981509 0.575927 0.427619 ] [ 0.829513 0.31936 0.775207 ] [ 0.329513 0.18064 0.275207 ] [ 0.481509 0.924073 0.927619 ] [ 0.481509 0.075927 0.427619 ] [ 0.329513 0.81936 0.775207 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Co" "Co" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41241709823 "source-unit" "angstrom" } "b" { "source-value" 5.41629074537 "source-unit" "angstrom" } "c" { "source-value" 7.41905507546 "source-unit" "angstrom" } "beta" { "source-value" 101.96319907 "source-unit" "degree" } }