{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4bm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.495914 ] [ 0 0 0.495914 ] [ 0.5 0.5 0.990007 ] [ 0 0 0.990007 ] [ 0 0.5 0.763124 ] [ 0.5 0 0.763124 ] [ 0 0.5 0.254641 ] [ 0.5 0 0.254641 ] [ 0.845954 0.345954 0.167404 ] [ 0.654046 0.845954 0.167404 ] [ 0.345954 0.154046 0.167404 ] [ 0.154046 0.654046 0.167404 ] [ 0.251864 0.751864 0.780117 ] [ 0.248136 0.251864 0.780117 ] [ 0.751864 0.748136 0.780117 ] [ 0.748136 0.248136 0.780117 ] [ 0.5 0 0.436272 ] [ 0 0.5 0.436272 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Cu" "Cu" "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" 5.59760604 "source-unit" "angstrom" } "c" { "source-value" 7.68543265 "source-unit" "angstrom" } }