{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.832627 0.832627 0.5 ] [ 0.167373 0.832627 0.5 ] [ 0.332627 0.667373 0 ] [ 0.667373 0.667373 0 ] [ 0.332627 0.332627 0 ] [ 0.667373 0.332627 0 ] [ 0.832627 0.167373 0.5 ] [ 0.167373 0.167373 0.5 ] [ 0.226594 0.5 0 ] [ 0 0.726594 0.5 ] [ 0 0.273406 0.5 ] [ 0.773406 0.5 0 ] [ 0.726594 0 0.5 ] [ 0.5 0.226594 0 ] [ 0.5 0.773406 0 ] [ 0.273406 0 0.5 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 8.77793293371 "source-unit" "angstrom" } "c" { "source-value" 3.67496490581 "source-unit" "angstrom" } }