{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.277244 0.722756 0.222756 ] [ 0.486614 0.986614 0.513386 ] [ 0.222756 0.277244 0.722756 ] [ 0.013386 0.013386 0.013386 ] [ 0.772929 0.227071 0.727071 ] [ 0.727071 0.772929 0.227071 ] [ 0.513386 0.486614 0.986614 ] [ 0.986614 0.513386 0.486614 ] [ 0.227071 0.727071 0.772929 ] [ 0.722756 0.222756 0.277244 ] [ 0.777244 0.777244 0.777244 ] [ 0.272929 0.272929 0.272929 ] [ 0.501439 0.501439 0.501439 ] [ 0.998561 0.498561 0.001439 ] [ 0.498561 0.001439 0.998561 ] [ 0.001439 0.998561 0.498561 ] [ 0.461186 0.004291 0.20597 ] [ 0.70597 0.038814 0.995709 ] [ 0.004291 0.20597 0.461186 ] [ 0.961186 0.495709 0.79403 ] [ 0.038814 0.995709 0.70597 ] [ 0.495709 0.79403 0.961186 ] [ 0.79403 0.961186 0.495709 ] [ 0.20597 0.461186 0.004291 ] [ 0.995709 0.70597 0.038814 ] [ 0.538814 0.504291 0.29403 ] [ 0.29403 0.538814 0.504291 ] [ 0.504291 0.29403 0.538814 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "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" 9.35897074 "source-unit" "angstrom" } }