{ "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 ] [ 0.642736 0 0.724284 ] [ 0 0 0.5 ] [ 0.357264 0 0.275716 ] [ 0.142736 0.5 0.724284 ] [ 0.5 0.5 0.5 ] [ 0.857264 0.5 0.275716 ] [ 0.032596 0.752345 0.704452 ] [ 0.967404 0.752345 0.295548 ] [ 0.967404 0.247655 0.295548 ] [ 0.032596 0.247655 0.704452 ] [ 0.223657 0 0.443724 ] [ 0.776343 0 0.556276 ] [ 0.721687 0 0.932311 ] [ 0.278313 0 0.067689 ] [ 0.532596 0.252345 0.704452 ] [ 0.467404 0.252345 0.295548 ] [ 0.467404 0.747655 0.295548 ] [ 0.532596 0.747655 0.704452 ] [ 0.723657 0.5 0.443724 ] [ 0.276343 0.5 0.556276 ] [ 0.221687 0.5 0.932311 ] [ 0.778313 0.5 0.067689 ] ] } "species" { "source-value" [ "Na" "Na" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 8.70971955062 "source-unit" "angstrom" } "b" { "source-value" 5.5472993725 "source-unit" "angstrom" } "c" { "source-value" 7.02568524658 "source-unit" "angstrom" } "beta" { "source-value" 90.099736368 "source-unit" "degree" } }