16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.26214299572 stress="0.05669486593924677 0.0032944546569066997 0.004923945588189942 0.0032944546569066997 0.0621676285514634 0.00019999926580952643 0.004923945588189942 0.00019999926580952643 0.06652622581574803" pbc="F F F" O -0.25851365 0.08611608 0.03369179 0.17643729 0.16273871 0.46577791 O 1.52598936 1.22329650 1.46375436 -0.15139848 -0.46069624 0.20533220 O 2.89427608 -0.24440284 -0.29821528 -0.04527758 0.19684731 0.22449893 O 4.79874826 1.30568685 1.28062161 -0.19117013 0.05632481 -0.05591505 O -0.13863341 2.93201670 -0.25354363 0.18961825 -0.13996714 0.14013339 O 1.48193431 4.42001865 1.70070203 0.46045728 -0.84994516 0.47978780 O 2.70342959 2.86182840 -0.00206453 -0.24270175 -0.11792775 0.45988075 O 4.78187239 4.29220499 1.48453339 -0.12233115 -0.11638130 0.14221548 O 0.10170120 -0.12206635 2.71904386 0.42111757 0.51430380 -0.77238625 O 1.50082602 1.74624097 4.64302402 0.07209357 0.52429214 -0.60293859 O 2.85498893 0.11042859 3.20947124 0.14616934 0.80338379 0.19612345 O 4.35512851 1.55280714 4.41333883 -0.55367094 -0.33084336 -0.45509572 O -0.15344509 2.87241235 3.04044737 0.61870536 0.16225885 0.26554535 O 1.41049160 4.22286420 4.43858073 0.44191747 -1.14693992 -0.87713741 O 2.75205420 3.15488783 3.05988540 -0.95975498 1.07122319 0.60963974 O 4.20245745 4.66431082 4.31425730 -0.26021111 -0.32867173 -0.42546197