{ "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 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.240426 0.748103 0.126766 ] [ 0.748103 0.759574 0.873234 ] [ 0.251897 0.240426 0.873234 ] [ 0.759574 0.251897 0.126766 ] [ 0.740426 0.248103 0.626766 ] [ 0.248103 0.259574 0.373234 ] [ 0.751897 0.740426 0.373234 ] [ 0.259574 0.751897 0.626766 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Co" "Co" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.29198728704 "source-unit" "angstrom" } "c" { "source-value" 10.5137092102 "source-unit" "angstrom" } }