{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.321684 0.178316 0.859209 ] [ 0.178316 0.678316 0.859209 ] [ 0.821684 0.321684 0.859209 ] [ 0.821684 0.321684 0.140791 ] [ 0.678316 0.821684 0.859209 ] [ 0.678316 0.821684 0.140791 ] [ 0.321684 0.178316 0.140791 ] [ 0.178316 0.678316 0.140791 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.821684 0.678316 0.359209 ] [ 0.678316 0.178316 0.359209 ] [ 0.321684 0.821684 0.359209 ] [ 0.321684 0.821684 0.640791 ] [ 0.178316 0.321684 0.359209 ] [ 0.178316 0.321684 0.640791 ] [ 0.821684 0.678316 0.640791 ] [ 0.678316 0.178316 0.640791 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.613726 0.113726 0 ] [ 0.886274 0.613726 0 ] [ 0.113726 0.386274 0 ] [ 0.386274 0.886274 0 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.113726 0.613726 0.5 ] [ 0.386274 0.113726 0.5 ] [ 0.613726 0.886274 0.5 ] [ 0.886274 0.386274 0.5 ] [ 0 0 0.75 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.17466893929 "source-unit" "angstrom" } "c" { "source-value" 15.9623777236 "source-unit" "angstrom" } }