{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.88747 0.11253 0.5 ] [ 0.61253 0.61253 0 ] [ 0.38747 0.38747 0 ] [ 0.11253 0.88747 0.5 ] [ 0.678207 0.321793 0 ] [ 0.821793 0.821793 0.5 ] [ 0.178207 0.178207 0.5 ] [ 0.321793 0.678207 0 ] [ 0.396052 0.982653 0.5 ] [ 0.603948 0.017347 0.5 ] [ 0.517347 0.896052 0 ] [ 0.482653 0.103948 0 ] [ 0.982653 0.396052 0.5 ] [ 0.896052 0.517347 0 ] [ 0.103948 0.482653 0 ] [ 0.017347 0.603948 0.5 ] [ 0.420612 0.787577 0.5 ] [ 0.579388 0.212423 0.5 ] [ 0.712423 0.920612 0 ] [ 0.287577 0.079388 0 ] [ 0.212423 0.579388 0.5 ] [ 0.079388 0.287577 0 ] [ 0.920612 0.712423 0 ] [ 0.787577 0.420612 0.5 ] [ 0.101552 0.101552 0 ] [ 0.601552 0.398448 0.5 ] [ 0.398448 0.601552 0.5 ] [ 0.898448 0.898448 0 ] [ 0.328627 0.883004 0 ] [ 0.671373 0.116996 0 ] [ 0.616996 0.828627 0.5 ] [ 0.383004 0.171373 0.5 ] [ 0.883004 0.328627 0 ] [ 0.828627 0.616996 0.5 ] [ 0.171373 0.383004 0.5 ] [ 0.116996 0.671373 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.91878425 "source-unit" "angstrom" } "c" { "source-value" 4.65454507 "source-unit" "angstrom" } }