{ "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" [ [ 0.107152 0.307391 0.5 ] [ 0.307391 0.892848 0.5 ] [ 0.692609 0.107152 0.5 ] [ 0.892848 0.692609 0.5 ] [ 0.607152 0.807391 0 ] [ 0.807391 0.392848 0 ] [ 0.192609 0.607152 0 ] [ 0.392848 0.192609 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.322301 0.882427 0 ] [ 0 0 0.5 ] [ 0.882427 0.677699 0 ] [ 0.117573 0.322301 0 ] [ 0.677699 0.117573 0 ] [ 0.822301 0.382427 0.5 ] [ 0.5 0.5 0 ] [ 0.382427 0.177699 0.5 ] [ 0.617573 0.822301 0.5 ] [ 0.177699 0.617573 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "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" 6.75859839 "source-unit" "angstrom" } "c" { "source-value" 4.09365399 "source-unit" "angstrom" } }