{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.980235 0.223501 ] [ 0.5 0.019765 0.723501 ] [ 0 0.480235 0.223501 ] [ 0 0.519765 0.723501 ] [ 0.5 0.802442 0.524675 ] [ 0.5 0.197558 0.024675 ] [ 0 0.302442 0.524675 ] [ 0 0.697558 0.024675 ] [ 0 0.906778 0.893639 ] [ 0 0.093222 0.393639 ] [ 0.5 0.406778 0.893639 ] [ 0.5 0.593222 0.393639 ] [ 0 0.941018 0.5033 ] [ 0.5 0.833963 0.010746 ] [ 0.5 0.166037 0.510746 ] [ 0 0.058982 0.0033 ] [ 0.5 0.441018 0.5033 ] [ 0 0.333963 0.010746 ] [ 0 0.666037 0.510746 ] [ 0.5 0.558982 0.0033 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Ba" "Ba" "Ba" "Ba" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.7773895 "source-unit" "angstrom" } "b" { "source-value" 18.88361578 "source-unit" "angstrom" } "c" { "source-value" 7.46459786 "source-unit" "angstrom" } }