{ "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 ] [ 0.218932 0.70512 0.892204 ] [ 0.29488 0.218932 0.107796 ] [ 0.781068 0.29488 0.892204 ] [ 0.70512 0.781068 0.107796 ] [ 0.718932 0.20512 0.392204 ] [ 0.79488 0.718932 0.607796 ] [ 0.281068 0.79488 0.392204 ] [ 0.20512 0.281068 0.607796 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 4.8863025 "source-unit" "angstrom" } "c" { "source-value" 8.3561428 "source-unit" "angstrom" } }