{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.875 ] [ 0.75 0 0.125 ] [ 0.75 0.5 0.375 ] [ 0.25 0.5 0.625 ] [ 0.25 0.5 0.125 ] [ 0.75 0.5 0.875 ] [ 0.75 0 0.625 ] [ 0.25 0 0.375 ] [ 0.75 0.315384 0.056591 ] [ 0.934616 0 0.806591 ] [ 0.065384 0.5 0.306591 ] [ 0.25 0.184616 0.556591 ] [ 0.065384 0 0.193409 ] [ 0.25 0.684616 0.943409 ] [ 0.75 0.815384 0.443409 ] [ 0.934616 0.5 0.693409 ] [ 0.25 0.815384 0.556591 ] [ 0.434616 0.5 0.306591 ] [ 0.565384 0 0.806591 ] [ 0.75 0.684616 0.056591 ] [ 0.565384 0.5 0.693409 ] [ 0.75 0.184616 0.443409 ] [ 0.25 0.315384 0.943409 ] [ 0.434616 0 0.193409 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 6.62464697668 "source-unit" "angstrom" } "c" { "source-value" 6.00718520322 "source-unit" "angstrom" } }