{ "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" [ [ 0.5 0.174202 0 ] [ 0.325798 0 0.5 ] [ 0.674202 0 0.5 ] [ 0.5 0.825798 0 ] [ 0 0.674202 0.5 ] [ 0.825798 0.5 0 ] [ 0.174202 0.5 0 ] [ 0 0.325798 0.5 ] [ 0.14872 0.14872 0 ] [ 0.85128 0.14872 0 ] [ 0.64872 0.35128 0.5 ] [ 0.35128 0.35128 0.5 ] [ 0.64872 0.64872 0.5 ] [ 0.35128 0.64872 0.5 ] [ 0.14872 0.85128 0 ] [ 0.85128 0.85128 0 ] [ 0.5 0.205551 0.5 ] [ 0.294449 0 0 ] [ 0.705551 0 0 ] [ 0.5 0.794449 0.5 ] [ 0 0.705551 0 ] [ 0.794449 0.5 0.5 ] [ 0.205551 0.5 0.5 ] [ 0 0.294449 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 8.8676377 "source-unit" "angstrom" } "c" { "source-value" 4.72753955 "source-unit" "angstrom" } }