{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.395541 0.104459 0.395541 ] [ 0.895541 0.895541 0.895541 ] [ 0.104459 0.104459 0.104459 ] [ 0.604459 0.895541 0.604459 ] [ 0.604459 0.604459 0.895541 ] [ 0.895541 0.604459 0.604459 ] [ 0.395541 0.395541 0.104459 ] [ 0.104459 0.395541 0.395541 ] ] } "species" { "source-value" [ "Si" "Si" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.68437788 "source-unit" "angstrom" } }