{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.056699 ] [ 0 0.5 0.943301 ] [ 0.5 0 0.847833 ] [ 0 0.5 0.748127 ] [ 0.5 0 0.648806 ] [ 0 0.5 0.549792 ] [ 0.5 0 0.450208 ] [ 0 0.5 0.351194 ] [ 0.5 0 0.251873 ] [ 0 0.5 0.152167 ] [ 0 0 0.601265 ] [ 0.5 0.5 0.5 ] [ 0 0 0.398735 ] [ 0.5 0.5 0.308049 ] [ 0 0 0.194447 ] [ 0.5 0.5 0.110645 ] [ 0 0 0.094337 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.889355 ] [ 0 0 0.805553 ] [ 0 0 0.905663 ] [ 0.5 0.5 0.691951 ] [ 0.5 0.5 0.791442 ] [ 0 0 0.703482 ] [ 0.5 0.5 0.597369 ] [ 0 0 0.5 ] [ 0.5 0.5 0.402631 ] [ 0 0 0.296518 ] [ 0.5 0.5 0.208558 ] ] } "species" { "source-value" [ "Tm" "Tm" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "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" 3.65730248 "source-unit" "angstrom" } "c" { "source-value" 26.0734216 "source-unit" "angstrom" } }