{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.145828 0.645828 0.139441 ] [ 0.354172 0.145828 0.139441 ] [ 0.645828 0.854172 0.139441 ] [ 0.645828 0.854172 0.860559 ] [ 0.354172 0.145828 0.860559 ] [ 0.145828 0.645828 0.860559 ] [ 0.854172 0.354172 0.860559 ] [ 0.854172 0.354172 0.139441 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.645828 0.145828 0.639441 ] [ 0.854172 0.645828 0.639441 ] [ 0.145828 0.354172 0.639441 ] [ 0.145828 0.354172 0.360559 ] [ 0.854172 0.645828 0.360559 ] [ 0.645828 0.145828 0.360559 ] [ 0.354172 0.854172 0.360559 ] [ 0.354172 0.854172 0.639441 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0.25 ] [ 0 0 0.75 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Pd" "Pd" "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" 6.52068562205 "source-unit" "angstrom" } "c" { "source-value" 10.1135928039 "source-unit" "angstrom" } }