{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.275435 0.093598 0 ] [ 0 0 0.5 ] [ 0.724565 0.906402 0 ] [ 0.093598 0.724565 0 ] [ 0.906402 0.275435 0 ] [ 0.775435 0.593598 0.5 ] [ 0.5 0.5 0 ] [ 0.224565 0.406402 0.5 ] [ 0.593598 0.224565 0.5 ] [ 0.406402 0.775435 0.5 ] ] } "species" { "source-value" [ "Bi" "Bi" "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" 6.91612445152 "source-unit" "angstrom" } "c" { "source-value" 4.35495586129 "source-unit" "angstrom" } }