{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.735068 0.264932 0.5 ] [ 0.188638 0.811362 0.85883 ] [ 0.188638 0.811362 0.14117 ] [ 0.188638 0.188638 0.64117 ] [ 0.735068 0.735068 0 ] [ 0.811362 0.188638 0.14117 ] [ 0.811362 0.811362 0.64117 ] [ 0.811362 0.811362 0.35883 ] [ 0.264932 0.735068 0.5 ] [ 0.811362 0.188638 0.85883 ] [ 0.264932 0.264932 0 ] [ 0.188638 0.188638 0.35883 ] ] } "species" { "source-value" [ "K" "K" "Bi" "Bi" "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" 5.48225038 "source-unit" "angstrom" } "c" { "source-value" 10.12934901 "source-unit" "angstrom" } }