{ "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 0.25 0.875 ] [ 0.5 0.25 0.625 ] [ 0.5 0.75 0.375 ] [ 0 0.75 0.125 ] [ 0 0.75 0.706256 ] [ 0.5 0.75 0.956256 ] [ 0 0.75 0.543744 ] [ 0.5 0.75 0.793744 ] [ 0.5 0.25 0.206256 ] [ 0 0.25 0.456256 ] [ 0.5 0.25 0.043744 ] [ 0 0.25 0.293744 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "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" 3.93532422212 "source-unit" "angstrom" } "c" { "source-value" 15.0215791724 "source-unit" "angstrom" } }