{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.175957 0.484167 ] [ 0.25 0.511967 0.678181 ] [ 0.75 0.824043 0.515833 ] [ 0.75 0.488033 0.321819 ] [ 0.75 0.988033 0.178181 ] [ 0.25 0.675957 0.015833 ] [ 0.75 0.324043 0.984167 ] [ 0.25 0.011967 0.821819 ] [ 0.75 0.745503 0.803571 ] [ 0.75 0.245503 0.696429 ] [ 0.25 0.254497 0.196429 ] [ 0.25 0.754497 0.303571 ] [ 0.75 0.725316 0.209596 ] [ 0.75 0.225316 0.290404 ] [ 0.25 0.438475 0.139021 ] [ 0.25 0.938475 0.360979 ] [ 0.25 0.774684 0.709596 ] [ 0.25 0.274684 0.790404 ] [ 0.25 0.632466 0.445241 ] [ 0.25 0.132466 0.054759 ] [ 0.75 0.061525 0.639021 ] [ 0.75 0.867534 0.945241 ] [ 0.75 0.367534 0.554759 ] [ 0.75 0.561525 0.860979 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.36097922 "source-unit" "angstrom" } "b" { "source-value" 12.81371908 "source-unit" "angstrom" } "c" { "source-value" 13.3873074 "source-unit" "angstrom" } }