{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0.735803 0.743426 0.88261 ] [ 0.256574 0.735803 0.11739 ] [ 0.264197 0.256574 0.88261 ] [ 0.743426 0.264197 0.11739 ] [ 0.235803 0.243426 0.38261 ] [ 0.756574 0.235803 0.61739 ] [ 0.764197 0.756574 0.38261 ] [ 0.243426 0.764197 0.61739 ] ] } "species" { "source-value" [ "Zn" "Zn" "Ga" "Ga" "Ga" "Ga" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.64254928277 "source-unit" "angstrom" } "c" { "source-value" 11.0309440908 "source-unit" "angstrom" } }