{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.334803 ] [ 0.5 0.5 0.834803 ] [ 0.5 0.5 0.165197 ] [ 0 0 0.665197 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.807454 0.807454 0.836516 ] [ 0.192546 0.192546 0.836516 ] [ 0.807454 0.807454 0.163484 ] [ 0.307454 0.692546 0.336516 ] [ 0.692546 0.307454 0.336516 ] [ 0.692546 0.307454 0.663484 ] [ 0.301455 0.698545 0 ] [ 0.801455 0.801455 0.5 ] [ 0.198545 0.198545 0.5 ] [ 0.698545 0.301455 0 ] [ 0.192546 0.192546 0.163484 ] [ 0.307454 0.692546 0.663484 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.62573517 "source-unit" "angstrom" } "c" { "source-value" 9.10721251 "source-unit" "angstrom" } }