{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.422314 0.75 ] [ 0 0.077686 0.25 ] [ 0 0.922314 0.75 ] [ 0.5 0.577686 0.25 ] [ 0 0.24561 0.75 ] [ 0.5 0.25439 0.25 ] [ 0.5 0.083951 0.75 ] [ 0 0.416049 0.25 ] [ 0.5 0.74561 0.75 ] [ 0 0.75439 0.25 ] [ 0 0.583951 0.75 ] [ 0.5 0.916049 0.25 ] [ 0.37483 0.252372 0.876727 ] [ 0.884752 0.41416 0.87913 ] [ 0.87483 0.247628 0.376727 ] [ 0.864579 0.083617 0.866943 ] [ 0.635421 0.416383 0.133057 ] [ 0.364579 0.416383 0.366943 ] [ 0.615248 0.08584 0.12087 ] [ 0.384752 0.08584 0.37913 ] [ 0.115248 0.41416 0.62087 ] [ 0.12517 0.247628 0.123273 ] [ 0.135421 0.083617 0.633057 ] [ 0.62517 0.252372 0.623273 ] [ 0.87483 0.752372 0.876727 ] [ 0.384752 0.91416 0.87913 ] [ 0.37483 0.747628 0.376727 ] [ 0.364579 0.583617 0.866943 ] [ 0.135421 0.916383 0.133057 ] [ 0.864579 0.916383 0.366943 ] [ 0.115248 0.58584 0.12087 ] [ 0.884752 0.58584 0.37913 ] [ 0.615248 0.91416 0.62087 ] [ 0.62517 0.747628 0.123273 ] [ 0.635421 0.583617 0.633057 ] [ 0.12517 0.752372 0.623273 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "U" "U" "U" "U" "U" "U" "U" "U" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.39543879 "source-unit" "angstrom" } "b" { "source-value" 11.13448844 "source-unit" "angstrom" } "c" { "source-value" 6.55675628 "source-unit" "angstrom" } "beta" { "source-value" 109.55190759 "source-unit" "degree" } }