{ "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 0.665422 ] [ 0 0 0.334578 ] [ 0.5 0.5 0.834578 ] [ 0.5 0.5 0.165422 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.81605 0.81605 0.852751 ] [ 0.81605 0.81605 0.147249 ] [ 0.779537 0.779537 0.5 ] [ 0.279537 0.720463 0 ] [ 0.31605 0.68395 0.647249 ] [ 0.31605 0.68395 0.352751 ] [ 0.68395 0.31605 0.647249 ] [ 0.68395 0.31605 0.352751 ] [ 0.720463 0.279537 0 ] [ 0.220463 0.220463 0.5 ] [ 0.18395 0.18395 0.852751 ] [ 0.18395 0.18395 0.147249 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "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" 4.96990123 "source-unit" "angstrom" } "c" { "source-value" 10.01958082 "source-unit" "angstrom" } }