{ "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" [ [ 0.994805 0.015349 0.749899 ] [ 0.505195 0.515349 0.750101 ] [ 0.005195 0.984651 0.250101 ] [ 0.494805 0.484651 0.249899 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.754681 0.783674 0.535712 ] [ 0.930573 0.512069 0.234853 ] [ 0.714305 0.256831 0.539138 ] [ 0.245319 0.216326 0.464288 ] [ 0.430573 0.987931 0.734853 ] [ 0.785695 0.756831 0.960862 ] [ 0.254681 0.716326 0.035712 ] [ 0.745319 0.283674 0.964288 ] [ 0.569427 0.012069 0.265147 ] [ 0.069427 0.487931 0.765147 ] [ 0.214305 0.243169 0.039138 ] [ 0.285695 0.743169 0.460862 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "U" "U" "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" 6.22773118802 "source-unit" "angstrom" } "b" { "source-value" 6.19140065 "source-unit" "angstrom" } "c" { "source-value" 8.74402225548 "source-unit" "angstrom" } "beta" { "source-value" 90.1697020895 "source-unit" "degree" } }