{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.765977 0.511047 0.215763 ] [ 0.234023 0.011047 0.784237 ] [ 0.220849 0.230843 0.340719 ] [ 0.779151 0.730843 0.659281 ] [ 0.27519 0.260552 0.077869 ] [ 0.72481 0.760552 0.922131 ] [ 0.274307 0.744197 0.432416 ] [ 0.725693 0.244197 0.567584 ] [ 0.691855 0.754535 0.055436 ] [ 0.052343 0.258322 0.141037 ] [ 0.462035 0.264968 0.180799 ] [ 0.217768 0.924181 0.339743 ] [ 0.193916 0.56279 0.347481 ] [ 0.861878 0.25809 0.427377 ] [ 0.55261 0.732624 0.46824 ] [ 0.44739 0.232624 0.53176 ] [ 0.138122 0.75809 0.572623 ] [ 0.806084 0.06279 0.652519 ] [ 0.782232 0.424181 0.660257 ] [ 0.537965 0.764968 0.819201 ] [ 0.947657 0.758322 0.858963 ] [ 0.308145 0.254535 0.944564 ] ] } "species" { "source-value" [ "Na" "Na" "Fe" "Fe" "C" "C" "S" "S" "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" 5.30385046 "source-unit" "angstrom" } "b" { "source-value" 6.59241428 "source-unit" "angstrom" } "c" { "source-value" 9.12618693 "source-unit" "angstrom" } "beta" { "source-value" 91.89786604 "source-unit" "degree" } }