{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.014345 0.944206 0.746366 ] [ 0.485655 0.444206 0.753634 ] [ 0.514345 0.555794 0.246366 ] [ 0.985655 0.055794 0.253634 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.312569 0.715328 0.554037 ] [ 0.187431 0.215328 0.945963 ] [ 0.687431 0.284672 0.445963 ] [ 0.812569 0.784672 0.054037 ] [ 0.789427 0.808134 0.454367 ] [ 0.710573 0.308134 0.045633 ] [ 0.210573 0.191866 0.545633 ] [ 0.289427 0.691866 0.954367 ] [ 0.903732 0.53314 0.759704 ] [ 0.596268 0.03314 0.740296 ] [ 0.096268 0.46686 0.240296 ] [ 0.403732 0.96686 0.259704 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Co" "Co" "W" "W" "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" 5.46957991594 "source-unit" "angstrom" } "b" { "source-value" 5.66063283 "source-unit" "angstrom" } "c" { "source-value" 7.81805687187 "source-unit" "angstrom" } "beta" { "source-value" 90.532592688 "source-unit" "degree" } }