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=-84.99469374343307 stress="0.0003751991788132543 0.0002764132011869985 0.00015572397825643484 0.0002764132011869985 0.00023998164948341088 3.591966295993393e-05 0.00015572397825643484 3.591966295993393e-05 0.00015883191700961387" free_energy=-84.99469374343307 pbc="F F F" W 20.85540510 21.11115480 21.11044915 4.58559238 1.38107633 1.57827409 W 22.70960170 22.16342156 22.33833517 -8.55599164 4.47691556 1.87724771 W 23.78829595 20.83509776 21.14041416 -0.58711901 -3.91743280 -3.45401549 W 25.27812781 22.49446427 22.32834452 3.23578730 0.52899138 1.55306226 W 20.87679405 23.95894820 21.20259391 3.95326137 -1.64313067 1.99429449 W 22.56504129 25.20865944 22.36550211 -8.18772271 8.06116369 4.11044702 W 23.78802619 24.22277084 21.18584377 3.53999340 -3.08569864 -7.73950286 W 25.68362810 25.69581920 22.64685009 -3.19860188 -2.45816709 2.12272543 W 21.26959405 21.17626233 23.85402479 0.53958840 1.97062357 -0.72398490 W 22.77326267 22.49207130 25.65300231 0.84434432 2.19544953 -1.78246599 W 24.03848316 20.89520101 23.91852158 1.76806508 -0.06232420 2.87281781 W 25.45789336 22.38825682 25.27041603 -3.07236904 2.01594790 -2.40201779 W 20.97025476 24.17895518 24.28592299 2.92252606 -0.21874531 -0.07492393 W 22.61455359 25.53253581 25.64904689 0.79377290 -4.06443688 -3.79380014 W 23.78091226 24.10609294 23.96603997 4.53993833 -2.40278352 7.37952972 W 25.30598025 25.32157598 25.51361598 -3.12106528 -2.77744885 -3.51768744