{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.183733 0.316267 0.351754 ] [ 0.816267 0.683733 0.351754 ] [ 0.5 0.5 0.161203 ] [ 0.5 0.5 0.838797 ] [ 0 0 0.838797 ] [ 0 0 0.161203 ] [ 0.683733 0.816267 0.648246 ] [ 0.183733 0.683733 0.648246 ] [ 0.816267 0.316267 0.648246 ] [ 0.683733 0.183733 0.351754 ] [ 0.316267 0.816267 0.351754 ] [ 0.316267 0.183733 0.648246 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.01463685 "source-unit" "angstrom" } "c" { "source-value" 7.72565847 "source-unit" "angstrom" } }