{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.386744 0.153301 0 ] [ 0.153301 0.613256 0 ] [ 0.318725 0.85469 0.5 ] [ 0.14531 0.318725 0.5 ] [ 0.613256 0.846699 0 ] [ 0.681275 0.14531 0.5 ] [ 0.85469 0.681275 0.5 ] [ 0.846699 0.386744 0 ] [ 0.773861 0.915212 0.5 ] [ 0.226139 0.084788 0.5 ] [ 0.915212 0.226139 0.5 ] [ 0.294504 0.394325 0 ] [ 0.394325 0.705496 0 ] [ 0.084788 0.773861 0.5 ] [ 0.605675 0.294504 0 ] [ 0.705496 0.605675 0 ] ] } "species" { "source-value" [ "U" "U" "W" "W" "W" "W" "W" "W" "W" "W" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.41019351 "source-unit" "angstrom" } "c" { "source-value" 3.13682528 "source-unit" "angstrom" } }