16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=6.457179031659363 stress="-0.0007256955299099223 -2.6724017324601346e-07 -1.5052018869414567e-05 -2.6724017324601346e-07 -0.0006224927333714761 -0.00010247341116349552 -1.5052018869414567e-05 -0.00010247341116349552 -0.0006348610569666575" pbc="F F F" Na 20.85540510 21.11115480 21.11044915 -1.99046364 -1.61502825 -1.61731735 Na 22.70960170 22.31143450 22.19032222 -2.06996397 2.25578388 1.23228127 Na 23.78829595 20.83509776 21.14041416 2.01472388 -4.27132466 -3.78776616 Na 25.27812781 22.49446427 22.39164379 4.03647598 0.35666204 -0.43721183 Na 20.87679405 23.89640262 21.20259391 -2.77756991 0.42331645 -1.74662975 Na 22.56504129 25.20865944 22.36550211 -3.60697268 6.58512351 2.35308669 Na 23.78802619 24.22277084 21.18584377 4.16587889 -1.29234347 -6.54116429 Na 25.68362810 25.69581920 22.42531867 1.24931731 0.99716636 -0.01156048 Na 21.26959405 21.17626233 23.85402479 -2.72196180 -1.90296065 1.15578159 Na 22.70447769 22.49207130 25.65300231 -0.59604644 -0.75148228 3.57334081 Na 23.87975136 20.95774659 23.91852158 0.59619442 -3.75679148 0.81950032 Na 25.45789336 22.22966382 25.27041603 2.52985791 0.13892392 1.82029996 Na 21.19178619 23.99563655 24.21127266 -3.90990160 -0.34623187 -0.37747771 Na 22.35851906 25.53253581 25.64904689 -0.27303130 2.48429661 2.22077367 Na 23.78091226 24.10609294 24.05677904 1.70291427 -0.44918318 0.00611873 Na 25.30598025 25.32157598 25.51361598 1.65054868 1.14407310 1.33794452