{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.248936 ] [ 0.5 0.5 0.248936 ] [ 0 0.5 0.248936 ] [ 0.5 0 0.751064 ] [ 0.5 0.5 0.751064 ] [ 0 0.5 0.751064 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0.658067 ] [ 0 0 0.341933 ] ] } "species" { "source-value" [ "Sc" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.0667135073 "source-unit" "angstrom" } "c" { "source-value" 8.0826077 "source-unit" "angstrom" } }