{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.866523 0.005065 0 ] [ 0.133477 0.505065 0.5 ] [ 0.339138 0.478763 0 ] [ 0.660862 0.978763 0.5 ] [ 0.668607 0.414972 0 ] [ 0.300073 0.808909 0 ] [ 0.187042 0.332107 0.193631 ] [ 0.812958 0.832107 0.306369 ] [ 0.699927 0.308909 0.5 ] [ 0.331393 0.914972 0.5 ] [ 0.812958 0.832107 0.693631 ] [ 0.187042 0.332107 0.806369 ] ] } "species" { "source-value" [ "Cd" "Cd" "Se" "Se" "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" 4.96791475 "source-unit" "angstrom" } "b" { "source-value" 5.0203171 "source-unit" "angstrom" } "c" { "source-value" 6.82050169 "source-unit" "angstrom" } }