{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.179197 0 0.199239 ] [ 0.820803 0 0.800761 ] [ 0.679197 0.5 0.199239 ] [ 0.320803 0.5 0.800761 ] [ 0.970161 0.5 0.578934 ] [ 0.029839 0.5 0.421066 ] [ 0.470161 0 0.578934 ] [ 0.529839 0 0.421066 ] [ 0.843985 0 0.122395 ] [ 0.156015 0 0.877605 ] [ 0.343985 0.5 0.122395 ] [ 0.656015 0.5 0.877605 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "C" "C" "C" "C" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.99768439104 "source-unit" "angstrom" } "b" { "source-value" 3.97928585 "source-unit" "angstrom" } "c" { "source-value" 7.36927555245 "source-unit" "angstrom" } "beta" { "source-value" 94.0137329591 "source-unit" "degree" } }