{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0.75 0 0.375 ] [ 0.25 0 0.375 ] [ 0.5 0.75 0.125 ] [ 0.5 0.25 0.125 ] [ 0.25 0.5 0.875 ] [ 0.75 0.5 0.875 ] [ 0 0.25 0.625 ] [ 0 0.75 0.625 ] [ 0.80962 0.784179 0.227113 ] [ 0.80962 0.284179 0.022887 ] [ 0.284179 0.69038 0.272887 ] [ 0.284179 0.19038 0.977113 ] [ 0.715821 0.30962 0.272887 ] [ 0.715821 0.80962 0.977113 ] [ 0.19038 0.215821 0.227113 ] [ 0.19038 0.715821 0.022887 ] [ 0.30962 0.284179 0.727113 ] [ 0.30962 0.784179 0.522887 ] [ 0.784179 0.19038 0.772887 ] [ 0.784179 0.69038 0.477113 ] [ 0.215821 0.80962 0.772887 ] [ 0.215821 0.30962 0.477113 ] [ 0.69038 0.715821 0.727113 ] [ 0.69038 0.215821 0.522887 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "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" 5.83477748 "source-unit" "angstrom" } "c" { "source-value" 12.15846615 "source-unit" "angstrom" } }