{ "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" [ [ 0.121604 0.706013 0.125057 ] [ 0.616029 0.788293 0.130891 ] [ 0.383971 0.288293 0.369109 ] [ 0.383971 0.211707 0.869109 ] [ 0.730854 0.971912 0.513551 ] [ 0.269146 0.471912 0.986449 ] [ 0.269146 0.028088 0.486449 ] [ 0.730854 0.528088 0.013551 ] [ 0.616029 0.711707 0.630891 ] [ 0.878396 0.293987 0.874943 ] [ 0.878396 0.206013 0.374943 ] [ 0.121604 0.793987 0.625057 ] [ 0.224277 0.513271 0.528219 ] [ 0.775723 0.013271 0.971781 ] [ 0.775723 0.486729 0.471781 ] [ 0.224277 0.986729 0.028219 ] [ 0.475542 0.901758 0.780712 ] [ 0.995002 0.601799 0.742611 ] [ 0.004998 0.101799 0.757389 ] [ 0.004998 0.398201 0.257389 ] [ 0.995002 0.898201 0.242611 ] [ 0.524458 0.401758 0.719288 ] [ 0.524458 0.098242 0.219288 ] [ 0.475542 0.598242 0.280712 ] [ 0.213356 0.884669 0.274617 ] [ 0.313903 0.371797 0.669976 ] [ 0.313903 0.128203 0.169976 ] [ 0.686097 0.628203 0.330024 ] [ 0.048932 0.984721 0.750713 ] [ 0.951068 0.484721 0.749287 ] [ 0.951068 0.015279 0.249287 ] [ 0.048932 0.515279 0.250713 ] [ 0.876566 0.82761 0.364141 ] [ 0.123434 0.32761 0.135859 ] [ 0.123434 0.17239 0.635859 ] [ 0.876566 0.67239 0.864141 ] [ 0.540374 0.980728 0.179168 ] [ 0.459626 0.480728 0.320832 ] [ 0.459626 0.019272 0.820832 ] [ 0.540374 0.519272 0.679168 ] [ 0.334282 0.845037 0.910033 ] [ 0.435054 0.625819 0.080953 ] [ 0.665718 0.154963 0.089967 ] [ 0.334282 0.654963 0.410033 ] [ 0.665718 0.345037 0.589967 ] [ 0.786644 0.384669 0.225383 ] [ 0.786644 0.115331 0.725383 ] [ 0.213356 0.615331 0.774617 ] [ 0.962564 0.87544 0.034445 ] [ 0.037436 0.37544 0.465555 ] [ 0.037436 0.12456 0.965555 ] [ 0.962564 0.62456 0.534445 ] [ 0.435054 0.874181 0.580953 ] [ 0.564946 0.374181 0.919047 ] [ 0.564946 0.125819 0.419047 ] [ 0.686097 0.871797 0.830024 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ce" "Ce" "Ce" "Ce" "P" "P" "P" "P" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.20157213705 "source-unit" "angstrom" } "b" { "source-value" 17.32757688 "source-unit" "angstrom" } "c" { "source-value" 9.67046169046 "source-unit" "angstrom" } "beta" { "source-value" 90.1350075114 "source-unit" "degree" } }