{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.050113 0.489623 0.16494 ] [ 0.949887 0.989623 0.83506 ] [ 0.349037 0.553166 0.634399 ] [ 0.650963 0.053166 0.365601 ] [ 0.592784 0.954366 0.183547 ] [ 0.407216 0.454366 0.816453 ] [ 0.823853 0.004019 0.146451 ] [ 0.548027 0.725731 0.197251 ] [ 0.451973 0.225731 0.802749 ] [ 0.377828 0.079497 0.111266 ] [ 0.622172 0.579497 0.888734 ] [ 0.176147 0.504019 0.853549 ] [ 0.300754 0.767641 0.628035 ] [ 0.549723 0.519989 0.583882 ] [ 0.152136 0.452768 0.548705 ] [ 0.699246 0.267641 0.371965 ] [ 0.450277 0.019989 0.416118 ] [ 0.847864 0.952768 0.451295 ] ] } "species" { "source-value" [ "Cs" "Cs" "C" "C" "S" "S" "O" "O" "O" "O" "O" "O" "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" 5.58471591161 "source-unit" "angstrom" } "b" { "source-value" 6.24260257 "source-unit" "angstrom" } "c" { "source-value" 9.99522287203 "source-unit" "angstrom" } "beta" { "source-value" 104.860375347 "source-unit" "degree" } }