{ "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 ] [ 0.835871 0.820295 0 ] [ 0.820295 0.164129 0.5 ] [ 0.179705 0.835871 0.5 ] [ 0.164129 0.179705 0 ] [ 0.335871 0.679705 0 ] [ 0.664129 0.320295 0 ] [ 0.679705 0.664129 0.5 ] [ 0.320295 0.335871 0.5 ] [ 0.40597 0.861651 0.5 ] [ 0.59403 0.138349 0.5 ] [ 0.138349 0.40597 0 ] [ 0.861651 0.59403 0 ] [ 0.361651 0.90597 0 ] [ 0.90597 0.638349 0.5 ] [ 0.09403 0.361651 0.5 ] [ 0.638349 0.09403 0 ] [ 0.181381 0.681381 0.75 ] [ 0.681381 0.818619 0.25 ] [ 0.318619 0.181381 0.25 ] [ 0.818619 0.318619 0.75 ] [ 0.181381 0.681381 0.25 ] [ 0.681381 0.818619 0.75 ] [ 0.318619 0.181381 0.75 ] [ 0.818619 0.318619 0.25 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 8.66893248 "source-unit" "angstrom" } "c" { "source-value" 6.08141099 "source-unit" "angstrom" } }