{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.416336 0.654542 0.183666 ] [ 0.083664 0.154542 0.316334 ] [ 0.583664 0.345458 0.816334 ] [ 0.916336 0.845458 0.683666 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.222149 0.674544 0.921779 ] [ 0.277851 0.174544 0.578221 ] [ 0.777851 0.325456 0.078221 ] [ 0.722149 0.825456 0.421779 ] [ 0.31706 0.890163 0.888945 ] [ 0.18294 0.390163 0.611055 ] [ 0.774208 0.69726 0.983462 ] [ 0.725792 0.19726 0.516538 ] [ 0.225792 0.30274 0.016538 ] [ 0.274208 0.80274 0.483462 ] [ 0.667689 0.836391 0.867723 ] [ 0.832311 0.336391 0.632277 ] [ 0.332311 0.163609 0.132277 ] [ 0.167689 0.663609 0.367723 ] [ 0.68294 0.109837 0.111055 ] [ 0.81706 0.609837 0.388945 ] [ 0.923283 0.654086 0.180981 ] [ 0.423283 0.845914 0.680981 ] [ 0.076717 0.345914 0.819019 ] [ 0.576717 0.154086 0.319019 ] [ 0.76142 0.172546 0.053613 ] [ 0.774711 0.58315 0.105764 ] [ 0.296561 0.723189 0.408837 ] [ 0.467237 0.933294 0.785204 ] [ 0.703439 0.276811 0.591163 ] [ 0.796561 0.776811 0.908837 ] [ 0.73858 0.672546 0.446387 ] [ 0.725289 0.08315 0.394236 ] [ 0.26142 0.327454 0.553613 ] [ 0.23858 0.827454 0.946387 ] [ 0.028731 0.810231 0.152923 ] [ 0.471269 0.310231 0.347077 ] [ 0.971269 0.189769 0.847077 ] [ 0.528731 0.689769 0.652923 ] [ 0.532763 0.066706 0.214796 ] [ 0.032763 0.433294 0.714796 ] [ 0.274711 0.91685 0.605764 ] [ 0.967237 0.566706 0.285204 ] [ 0.225289 0.41685 0.894236 ] [ 0.203439 0.223189 0.091163 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Co" "Co" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.93099796957 "source-unit" "angstrom" } "b" { "source-value" 6.31692063 "source-unit" "angstrom" } "c" { "source-value" 11.3987179726 "source-unit" "angstrom" } "beta" { "source-value" 99.4109945423 "source-unit" "degree" } }