{ "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 0 0 ] [ 0.5 0 0.24145 ] [ 0 0.5 0.75855 ] [ 0 0.5 0.012107 ] [ 0.5 0 0.987893 ] [ 0 0.5 0.509567 ] [ 0.242698 0.222453 0.226642 ] [ 0.222453 0.757302 0.773358 ] [ 0.777547 0.242698 0.773358 ] [ 0.757302 0.777547 0.226642 ] [ 0.757302 0.222453 0.226642 ] [ 0.222453 0.242698 0.773358 ] [ 0.777547 0.757302 0.773358 ] [ 0.242698 0.777547 0.226642 ] [ 0.5 0 0.490433 ] ] } "species" { "source-value" [ "Ca" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.73252034 "source-unit" "angstrom" } "c" { "source-value" 7.73908183 "source-unit" "angstrom" } }