{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.446403 0.498505 0.859815 ] [ 0.446403 0.501495 0.359815 ] [ 0.153366 0.084951 0.696408 ] [ 0.153366 0.915049 0.196408 ] [ 0.472203 0.845116 0.866721 ] [ 0.278225 0.125411 0.092591 ] [ 0.958489 0.690829 0.089832 ] [ 0.958489 0.309171 0.589832 ] [ 0.119343 0.611559 0.35886 ] [ 0.516242 0.623151 0.218939 ] [ 0.119343 0.388441 0.85886 ] [ 0.894051 0.108734 0.236612 ] [ 0.664978 0.357321 0.987422 ] [ 0.516242 0.376849 0.718939 ] [ 0.664978 0.642679 0.487422 ] [ 0.894051 0.891266 0.736612 ] [ 0.278225 0.874589 0.592591 ] [ 0.472203 0.154884 0.366721 ] ] } "species" { "source-value" [ "Fe" "Fe" "Se" "Se" "Br" "Br" "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" 6.86173000542 "source-unit" "angstrom" } "b" { "source-value" 6.75377056 "source-unit" "angstrom" } "c" { "source-value" 14.7351096457 "source-unit" "angstrom" } "beta" { "source-value" 101.62096088 "source-unit" "degree" } }