{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.060907 0.25 ] [ 0.5 0.939093 0.75 ] [ 0 0.560907 0.25 ] [ 0 0.439093 0.75 ] [ 0.5 0.80799 0.092207 ] [ 0.5 0.19201 0.907793 ] [ 0.5 0.19201 0.592207 ] [ 0.5 0.80799 0.407793 ] [ 0 0.30799 0.092207 ] [ 0 0.69201 0.907793 ] [ 0 0.69201 0.592207 ] [ 0 0.30799 0.407793 ] [ 0 0.084379 0.029848 ] [ 0 0.915621 0.970152 ] [ 0 0.915621 0.529848 ] [ 0 0.084379 0.470152 ] [ 0 0.84148 0.25 ] [ 0 0.15852 0.75 ] [ 0.5 0.584379 0.029848 ] [ 0.5 0.415621 0.970152 ] [ 0.5 0.415621 0.529848 ] [ 0.5 0.584379 0.470152 ] [ 0.5 0.34148 0.25 ] [ 0.5 0.65852 0.75 ] [ 0 0.06046 0.883786 ] [ 0 0.93954 0.116214 ] [ 0 0.93954 0.383786 ] [ 0 0.06046 0.616214 ] [ 0.5 0.245106 0.75 ] [ 0.5 0.754894 0.25 ] [ 0.5 0.832864 0.928571 ] [ 0.5 0.167136 0.071429 ] [ 0.5 0.167136 0.428571 ] [ 0.5 0.832864 0.571429 ] [ 0.5 0.56046 0.883786 ] [ 0.5 0.43954 0.116214 ] [ 0.5 0.43954 0.383786 ] [ 0.5 0.56046 0.616214 ] [ 0 0.745106 0.75 ] [ 0 0.254894 0.25 ] [ 0 0.332864 0.928571 ] [ 0 0.667136 0.071429 ] [ 0 0.667136 0.428571 ] [ 0 0.332864 0.571429 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.10842806 "source-unit" "angstrom" } "b" { "source-value" 14.5384695 "source-unit" "angstrom" } "c" { "source-value" 17.05048086 "source-unit" "angstrom" } }