{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.718043 0.113002 0.5 ] [ 0.281957 0.886998 0.5 ] [ 0.886998 0.718043 0.5 ] [ 0.113002 0.281957 0.5 ] [ 0.218043 0.613002 0 ] [ 0.781957 0.386998 0 ] [ 0.386998 0.218043 0 ] [ 0.613002 0.781957 0 ] [ 0.265264 0.932526 0 ] [ 0.734736 0.067474 0 ] [ 0.067474 0.265264 0 ] [ 0.932526 0.734736 0 ] [ 0.765264 0.432526 0.5 ] [ 0.234736 0.567474 0.5 ] [ 0.567474 0.765264 0.5 ] [ 0.432526 0.234736 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "H" "H" "H" "H" "H" "H" "H" "H" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.29220250928 "source-unit" "angstrom" } "c" { "source-value" 4.08399614671 "source-unit" "angstrom" } }