{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.620657 ] [ 0 0.5 0.379343 ] [ 0.5 0 0.240655 ] [ 0.235919 0.037526 0.716206 ] [ 0.962474 0.235919 0.283794 ] [ 0.537526 0.264081 0.716206 ] [ 0.264081 0.462474 0.283794 ] [ 0 0.5 0.759345 ] [ 0.735919 0.537526 0.283794 ] [ 0.462474 0.735919 0.716206 ] [ 0.037526 0.764081 0.283794 ] [ 0.764081 0.962474 0.716206 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "F" "F" "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" 6.78199376 "source-unit" "angstrom" } "c" { "source-value" 4.59956048 "source-unit" "angstrom" } }