{ "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 0.09652 ] [ 0 0 0.90348 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.59652 ] [ 0.5 0.5 0.40348 ] [ 0 0 0.5 ] [ 0.5 0.5 0.206932 ] [ 0 0 0.293068 ] [ 0 0 0.706932 ] [ 0.5 0.5 0.793068 ] [ 0 0 0.194952 ] [ 0.5 0.5 0.305048 ] [ 0.5 0.5 0.694952 ] [ 0 0 0.805048 ] [ 0.5 0.5 0.095821 ] [ 0.5 0.5 0.904179 ] [ 0 0 0 ] [ 0 0 0.595821 ] [ 0 0 0.404179 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "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" 2.95054516 "source-unit" "angstrom" } "c" { "source-value" 20.79601282 "source-unit" "angstrom" } }