{ "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 0.756489 ] [ 0 0.5 0.756489 ] [ 0.5 0 0.243511 ] [ 0 0.5 0.243511 ] [ 0.171102 0.671102 0.42825 ] [ 0.171102 0.328898 0.57175 ] [ 0.671102 0.171102 0.57175 ] [ 0.328898 0.828898 0.57175 ] [ 0 0 0.181477 ] [ 0 0 0.818523 ] [ 0.5 0.5 0.818523 ] [ 0.5 0.5 0.181477 ] [ 0 0 0.341121 ] [ 0 0 0.658879 ] [ 0.5 0.5 0.658879 ] [ 0.5 0.5 0.341121 ] [ 0.750255 0.250255 0.913778 ] [ 0.749745 0.750255 0.913778 ] [ 0.250255 0.249745 0.913778 ] [ 0.750255 0.749745 0.086222 ] [ 0.249745 0.250255 0.086222 ] [ 0.249745 0.749745 0.913778 ] [ 0.250255 0.750255 0.086222 ] [ 0.749745 0.249745 0.086222 ] [ 0.828898 0.328898 0.42825 ] [ 0.671102 0.828898 0.42825 ] [ 0.328898 0.171102 0.42825 ] [ 0.828898 0.671102 0.57175 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.14748239 "source-unit" "angstrom" } "c" { "source-value" 15.32526217 "source-unit" "angstrom" } }