{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.32428 0.5 ] [ 0 0.67572 0.5 ] [ 0.5 0.82428 0.5 ] [ 0.5 0.17572 0.5 ] [ 0 0.737864 0 ] [ 0 0.262136 0 ] [ 0.606423 0 0.771534 ] [ 0.187238 0.858466 0.5617 ] [ 0.812762 0.858466 0.4383 ] [ 0.812762 0.141534 0.4383 ] [ 0.187238 0.141534 0.5617 ] [ 0.393577 0 0.228466 ] [ 0.5 0.237864 0 ] [ 0.5 0.762136 0 ] [ 0.106423 0.5 0.771534 ] [ 0.687238 0.358466 0.5617 ] [ 0.312762 0.358466 0.4383 ] [ 0.312762 0.641534 0.4383 ] [ 0.687238 0.641534 0.5617 ] [ 0.893577 0.5 0.228466 ] ] } "species" { "source-value" [ "Ba" "Ba" "Er" "Er" "Er" "Er" "F" "F" "F" "F" "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" 7.00143302872 "source-unit" "angstrom" } "b" { "source-value" 10.5504493389 "source-unit" "angstrom" } "c" { "source-value" 4.29229533955 "source-unit" "angstrom" } "beta" { "source-value" 99.124083857 "source-unit" "degree" } }