{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.826777 0.673223 0.5 ] [ 0.326777 0.826777 0.5 ] [ 0.173223 0.326777 0.5 ] [ 0.673223 0.173223 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.123949 0.623949 0 ] [ 0.623949 0.876051 0 ] [ 0.376051 0.123949 0 ] [ 0.876051 0.376051 0 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.03075685 "source-unit" "angstrom" } "c" { "source-value" 3.67119541 "source-unit" "angstrom" } }