{ "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" [ [ 0.604769 0.303187 0.258802 ] [ 0.895231 0.803187 0.241198 ] [ 0.395231 0.696813 0.741198 ] [ 0.104769 0.196813 0.758802 ] [ 0.108957 0.301364 0.279712 ] [ 0.391043 0.801364 0.220288 ] [ 0.891043 0.698636 0.720288 ] [ 0.608957 0.198636 0.779712 ] [ 0.282876 0.338026 0.451457 ] [ 0.217124 0.838026 0.048543 ] [ 0.717124 0.661974 0.548543 ] [ 0.782876 0.161974 0.951457 ] [ 0.223684 0.266922 0.100051 ] [ 0.276316 0.766922 0.399949 ] [ 0.776316 0.733078 0.899949 ] [ 0.723684 0.233078 0.600051 ] [ 0.44835 0.034358 0.746562 ] [ 0.05165 0.534358 0.753438 ] [ 0.55165 0.965642 0.253438 ] [ 0.94835 0.465642 0.246562 ] [ 0.476246 0.369727 0.83175 ] [ 0.023754 0.869727 0.66825 ] [ 0.523754 0.630273 0.16825 ] [ 0.976246 0.130273 0.33175 ] ] } "species" { "source-value" [ "Ce" "Ce" "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" 6.41618210631 "source-unit" "angstrom" } "b" { "source-value" 7.13409754 "source-unit" "angstrom" } "c" { "source-value" 6.94169821516 "source-unit" "angstrom" } "beta" { "source-value" 97.3151733009 "source-unit" "degree" } }