{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.761185 0.25 0.084371 ] [ 0.251782 0.007322 0.253739 ] [ 0.251782 0.492678 0.253739 ] [ 0.748218 0.507322 0.746261 ] [ 0.748218 0.992678 0.746261 ] [ 0.238815 0.75 0.915629 ] [ 0.767153 0.75 0.373 ] [ 0.232847 0.25 0.627 ] [ 0.701416 0.25 0.405635 ] [ 0.298584 0.75 0.594365 ] [ 0.73767 0.75 0.059618 ] [ 0.26233 0.25 0.940382 ] [ 0.277705 0.25 0.067761 ] [ 0.939276 0.75 0.118154 ] [ 0.550946 0.75 0.128573 ] [ 0.785901 0.088298 0.3321 ] [ 0.785901 0.411702 0.3321 ] [ 0.432719 0.25 0.404497 ] [ 0.21219 0.75 0.447988 ] [ 0.78781 0.25 0.552012 ] [ 0.567281 0.75 0.595503 ] [ 0.214099 0.588298 0.6679 ] [ 0.214099 0.911702 0.6679 ] [ 0.449054 0.25 0.871427 ] [ 0.060724 0.25 0.881846 ] [ 0.722295 0.75 0.932239 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Ba" "Ba" "P" "P" "C" "C" "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" 5.81913091 "source-unit" "angstrom" } "b" { "source-value" 7.85202418 "source-unit" "angstrom" } "c" { "source-value" 10.24431695 "source-unit" "angstrom" } "beta" { "source-value" 91.23695208 "source-unit" "degree" } }