{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.052791 0.724957 ] [ 0.25 0.947209 0.275043 ] [ 0.25 0.552791 0.775043 ] [ 0.75 0.447209 0.224957 ] [ 0.25 0.197706 0.689329 ] [ 0.75 0.802294 0.310671 ] [ 0.75 0.697706 0.810671 ] [ 0.25 0.302294 0.189329 ] [ 0.75 0.418632 0.403244 ] [ 0.25 0.581368 0.596756 ] [ 0.25 0.918632 0.096756 ] [ 0.75 0.081368 0.903244 ] [ 0.25 0.266285 0.418157 ] [ 0.75 0.733715 0.581843 ] [ 0.75 0.766285 0.081843 ] [ 0.25 0.233715 0.918157 ] [ 0.75 0.1441 0.15627 ] [ 0.25 0.8559 0.84373 ] [ 0.25 0.6441 0.34373 ] [ 0.75 0.3559 0.65627 ] [ 0.75 0.111471 0.439185 ] [ 0.25 0.888529 0.560815 ] [ 0.25 0.611471 0.060815 ] [ 0.75 0.388529 0.939185 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "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" 4.04909052 "source-unit" "angstrom" } "b" { "source-value" 13.39410023 "source-unit" "angstrom" } "c" { "source-value" 16.70241293 "source-unit" "angstrom" } }