{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0.548173 ] [ 0 0.5 0.451827 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.819224 0.298523 ] [ 0.5 0 0.119396 ] [ 0.819224 0 0.701477 ] [ 0.180776 0 0.701477 ] [ 0 0.180776 0.298523 ] [ 0.5 0.319224 0.701477 ] [ 0.319224 0.5 0.298523 ] [ 0.680776 0.5 0.298523 ] [ 0 0.5 0.880604 ] [ 0.5 0.680776 0.701477 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "B" "B" "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" 6.2980465 "source-unit" "angstrom" } "c" { "source-value" 4.74691431 "source-unit" "angstrom" } }