{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.80226 0 0.604795 ] [ 0.230353 0.5 0.912705 ] [ 0.769647 0.5 0.087295 ] [ 0.19774 0 0.395205 ] ] } "species" { "source-value" [ "Cr" "Cr" "H" "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" 4.81211491277 "source-unit" "angstrom" } "b" { "source-value" 3.02523807925 "source-unit" "angstrom" } "c" { "source-value" 5.23490315581 "source-unit" "angstrom" } "beta" { "source-value" 111.043784518 "source-unit" "degree" } }