{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4" } "basis-atom-coordinates" { "source-value" [ [ 0.724234 0.534501 0.153065 ] [ 0.465499 0.724234 0.846935 ] [ 0.534501 0.275766 0.846935 ] [ 0.275766 0.465499 0.153065 ] [ 0.636208 0.180584 0.365622 ] [ 0.819416 0.636208 0.634378 ] [ 0.180584 0.363792 0.634378 ] [ 0.363792 0.819416 0.365622 ] [ 0.915323 0.765315 0.186825 ] [ 0.234685 0.915323 0.813175 ] [ 0.765315 0.084677 0.813175 ] [ 0.084677 0.234685 0.186825 ] [ 0.570146 0.331016 0.141724 ] [ 0.668984 0.570146 0.858276 ] [ 0.331016 0.429854 0.858276 ] [ 0.429854 0.668984 0.141724 ] [ 0.464425 0.241664 0.559023 ] [ 0.758336 0.464425 0.440977 ] [ 0.241664 0.535575 0.440977 ] [ 0.535575 0.758336 0.559023 ] [ 0.5 0 0.241263 ] [ 0 0.5 0.758737 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "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" 7.98172082 "source-unit" "angstrom" } "c" { "source-value" 6.4224999 "source-unit" "angstrom" } }