{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.842606 0.792401 0 ] [ 0.792401 0.157394 0.5 ] [ 0.207599 0.842606 0.5 ] [ 0.157394 0.207599 0 ] [ 0.342606 0.707599 0 ] [ 0.657394 0.292401 0 ] [ 0.707599 0.657394 0.5 ] [ 0.292401 0.342606 0.5 ] [ 0.4076 0.878397 0.5 ] [ 0.5924 0.121603 0.5 ] [ 0.121603 0.4076 0 ] [ 0.878397 0.5924 0 ] [ 0.378397 0.9076 0 ] [ 0.9076 0.621603 0.5 ] [ 0.0924 0.378397 0.5 ] [ 0.621603 0.0924 0 ] [ 0.207516 0.707516 0.75 ] [ 0.707516 0.792484 0.25 ] [ 0.292484 0.207516 0.25 ] [ 0.792484 0.292484 0.75 ] [ 0.207516 0.707516 0.25 ] [ 0.707516 0.792484 0.75 ] [ 0.292484 0.207516 0.75 ] [ 0.792484 0.292484 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.88918257 "source-unit" "angstrom" } "c" { "source-value" 5.64085794 "source-unit" "angstrom" } }