{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.271971 0.151848 0.128221 ] [ 0.728029 0.848152 0.128221 ] [ 0.848152 0.271971 0.871779 ] [ 0.151848 0.728029 0.871779 ] [ 0.771971 0.651848 0.628221 ] [ 0.228029 0.348152 0.628221 ] [ 0.348152 0.771971 0.371779 ] [ 0.651848 0.228029 0.371779 ] ] } "species" { "source-value" [ "Li" "Li" "Si" "Si" "B" "B" "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" 4.45434753 "source-unit" "angstrom" } "c" { "source-value" 6.89574921 "source-unit" "angstrom" } }