{ "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 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.770801 0.292668 0.884292 ] [ 0.707332 0.770801 0.115708 ] [ 0.229199 0.707332 0.884292 ] [ 0.292668 0.229199 0.115708 ] [ 0.270801 0.792668 0.384292 ] [ 0.207332 0.270801 0.615708 ] [ 0.729199 0.207332 0.384292 ] [ 0.792668 0.729199 0.615708 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 4.74372936 "source-unit" "angstrom" } "c" { "source-value" 8.75974206 "source-unit" "angstrom" } }