{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Ti" "Ti" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.49887995081 "source-unit" "angstrom" } "b" { "source-value" 7.15729325786 "source-unit" "angstrom" } "c" { "source-value" 2.60701844502 "source-unit" "angstrom" } "beta" { "source-value" 119.872346228 "source-unit" "degree" } }