{ "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 0.5 0.753567 ] [ 0 0.5 0.246433 ] [ 0.5 0 0.753567 ] [ 0.5 0 0.246433 ] [ 0.249657 0.250343 0.911989 ] [ 0.750343 0.749657 0.911989 ] [ 0.32061 0.82061 0.42859 ] [ 0.17939 0.67939 0.57141 ] [ 0.250343 0.750343 0.911989 ] [ 0.82061 0.67939 0.42859 ] [ 0 0 0.658489 ] [ 0.67939 0.17939 0.42859 ] [ 0.32061 0.17939 0.57141 ] [ 0 0 0.815953 ] [ 0.5 0.5 0.341511 ] [ 0.82061 0.32061 0.57141 ] [ 0.67939 0.82061 0.57141 ] [ 0 0 0.184047 ] [ 0.749657 0.750343 0.088011 ] [ 0.5 0.5 0.658489 ] [ 0.749657 0.249657 0.911989 ] [ 0.250343 0.249657 0.088011 ] [ 0.249657 0.749657 0.088011 ] [ 0.5 0.5 0.184047 ] [ 0.17939 0.32061 0.42859 ] [ 0.5 0.5 0.815953 ] [ 0.750343 0.250343 0.088011 ] [ 0 0 0.341511 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.17653299 "source-unit" "angstrom" } "c" { "source-value" 15.85855015 "source-unit" "angstrom" } }