{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.896767 ] [ 0 0 0.103233 ] [ 0 0 0.702216 ] [ 0.5 0.5 0.797784 ] [ 0.5 0.5 0.396767 ] [ 0.5 0.5 0.603233 ] [ 0.5 0.5 0.202216 ] [ 0 0 0.297784 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.893894 ] [ 0.5 0.5 0.106106 ] [ 0.5 0.5 0.701612 ] [ 0 0 0.798388 ] [ 0 0 0.393894 ] [ 0 0 0.606106 ] [ 0 0 0.201612 ] [ 0.5 0.5 0.298388 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.91727134 "source-unit" "angstrom" } "c" { "source-value" 20.980808 "source-unit" "angstrom" } }