{ "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" [ [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0.249136 ] [ 0 0.5 0.000864 ] [ 0 0.5 0.499136 ] [ 0.5 0.5 0.250864 ] [ 0.5 0.5 0.749136 ] [ 0.5 0 0.500864 ] [ 0.5 0 0.999136 ] [ 0 0 0.750864 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "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" 4.08095917968 "source-unit" "angstrom" } "c" { "source-value" 8.49286666538 "source-unit" "angstrom" } }