{ "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" [ [ 0.076575 0.553304 0.730171 ] [ 0.423425 0.053304 0.269829 ] [ 0.923425 0.446696 0.269829 ] [ 0.576575 0.946696 0.730171 ] [ 0.223109 0.749117 0.416422 ] [ 0.276891 0.249117 0.583578 ] [ 0.776891 0.250883 0.583578 ] [ 0.723109 0.750883 0.416422 ] [ 0.871241 0.102953 0.133627 ] [ 0.628759 0.602953 0.866373 ] [ 0.371241 0.397047 0.133627 ] [ 0.128759 0.897047 0.866373 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.878042 0.805804 0.101582 ] [ 0.621958 0.305804 0.898418 ] [ 0.378042 0.694196 0.101582 ] [ 0.121958 0.194196 0.898418 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.55295547848 "source-unit" "angstrom" } "b" { "source-value" 8.11740384 "source-unit" "angstrom" } "c" { "source-value" 6.65248817961 "source-unit" "angstrom" } "beta" { "source-value" 105.057931647 "source-unit" "degree" } }