{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.665397 ] [ 0 0 0.334603 ] [ 0.5 0.5 0.834603 ] [ 0.5 0.5 0.165397 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.81475 0.81475 0.850705 ] [ 0.81475 0.81475 0.149295 ] [ 0.782627 0.782627 0.5 ] [ 0.282627 0.717373 0 ] [ 0.31475 0.68525 0.649295 ] [ 0.31475 0.68525 0.350705 ] [ 0.68525 0.31475 0.649295 ] [ 0.68525 0.31475 0.350705 ] [ 0.717373 0.282627 0 ] [ 0.217373 0.217373 0.5 ] [ 0.18525 0.18525 0.850705 ] [ 0.18525 0.18525 0.149295 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Te" "Te" "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" 4.91565419 "source-unit" "angstrom" } "c" { "source-value" 9.88690543 "source-unit" "angstrom" } }