{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.102473 0.18117 0.5 ] [ 0.18117 0.897527 0.5 ] [ 0.81883 0.102473 0.5 ] [ 0.897527 0.81883 0.5 ] [ 0.397527 0.68117 0.5 ] [ 0.602473 0.31883 0.5 ] [ 0.68117 0.602473 0.5 ] [ 0.31883 0.397527 0.5 ] [ 0.095726 0.404274 0 ] [ 0.404274 0.904274 0 ] [ 0.595726 0.095726 0 ] [ 0.904274 0.595726 0 ] [ 0.380417 0.119583 0.5 ] [ 0.119583 0.619583 0.5 ] [ 0.880417 0.380417 0.5 ] [ 0.619583 0.880417 0.5 ] [ 0.253849 0.246151 0 ] [ 0.246151 0.746151 0 ] [ 0.753849 0.253849 0 ] [ 0.746151 0.753849 0 ] [ 0.224381 0.05668 0 ] [ 0.05668 0.775619 0 ] [ 0.94332 0.224381 0 ] [ 0.775619 0.94332 0 ] [ 0.275619 0.55668 0 ] [ 0.724381 0.44332 0 ] [ 0.55668 0.724381 0 ] [ 0.44332 0.275619 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.06831791 "source-unit" "angstrom" } "c" { "source-value" 3.70537906 "source-unit" "angstrom" } }