{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.642625 0.25 0.908827 ] [ 0.506868 0.75 0.691579 ] [ 0.204667 0.25 0.584815 ] [ 0.357375 0.75 0.091173 ] [ 0.795333 0.75 0.415185 ] [ 0.493132 0.25 0.308421 ] [ 0.992341 0.25 0.211239 ] [ 0.007659 0.75 0.788761 ] [ 0.765261 0.25 0.586145 ] [ 0.234739 0.75 0.413855 ] [ 0.194649 0.25 0.927954 ] [ 0.805351 0.75 0.072046 ] [ 0.845017 0.028892 0.657999 ] [ 0.154983 0.528892 0.342001 ] [ 0.154983 0.971108 0.342001 ] [ 0.845017 0.471108 0.657999 ] [ 0.248976 0.029067 0.845688 ] [ 0.751024 0.529067 0.154312 ] [ 0.751024 0.970933 0.154312 ] [ 0.248976 0.470933 0.845688 ] [ 0.99272 0.25 0.950548 ] [ 0.00728 0.75 0.049452 ] [ 0.285763 0.25 0.073816 ] [ 0.714237 0.75 0.926184 ] [ 0.180915 0.75 0.568596 ] [ 0.819085 0.25 0.431404 ] [ 0.436031 0.75 0.39937 ] [ 0.563969 0.25 0.60063 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Ce" "Ce" "P" "P" "P" "P" "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" 7.59249405041 "source-unit" "angstrom" } "b" { "source-value" 5.76056248 "source-unit" "angstrom" } "c" { "source-value" 9.69671278416 "source-unit" "angstrom" } "beta" { "source-value" 91.1672130318 "source-unit" "degree" } }