{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.804907 ] [ 0 0.5 0.195093 ] [ 0 0.5 0.804907 ] [ 0.5 0 0.195093 ] [ 0 0 0.781391 ] [ 0.280473 0.280473 0 ] [ 0.5 0.5 0.805285 ] [ 0.719527 0.280473 0 ] [ 0.5 0.5 0.194715 ] [ 0.719527 0.719527 0 ] [ 0 0 0.218609 ] [ 0.750386 0.750386 0.613762 ] [ 0.750386 0.249614 0.386238 ] [ 0.249614 0.249614 0.613762 ] [ 0.249614 0.750386 0.386238 ] [ 0.280473 0.719527 0 ] [ 0.750386 0.750386 0.386238 ] [ 0.750386 0.249614 0.613762 ] [ 0.249614 0.249614 0.386238 ] [ 0.249614 0.750386 0.613762 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.08821983 "source-unit" "angstrom" } "c" { "source-value" 11.24786635 "source-unit" "angstrom" } }