{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.104363 ] [ 0.5 0 0.895637 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.713568 0.7685 ] [ 0.5 0.286432 0.7685 ] [ 0.5 0 0.272607 ] [ 0 0.5 0.727393 ] [ 0.713568 0.5 0.2315 ] [ 0 0.786432 0.2315 ] [ 0 0.213568 0.2315 ] [ 0.286432 0.5 0.2315 ] [ 0.786432 0 0.7685 ] [ 0.213568 0 0.7685 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ge" "Ge" "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" 6.65929683 "source-unit" "angstrom" } "c" { "source-value" 4.55250108 "source-unit" "angstrom" } }