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=86657.38688554132 stress="-5.290058657905171 0.5596711777354649 0.6203878956808614 0.5596711777354649 -4.267062978191088 -2.2062644391117137 0.6203878956808614 -2.2062644391117137 -4.891682285704068" pbc="F F F" Ac 20.91870436 21.04860922 21.20118821 -7217.78426972 -4790.32162349 -5473.88602033 Ac 22.70960170 22.31143450 22.33833517 -13894.05477126 29922.11381509 14273.81433639 Ac 23.78829595 20.83509776 21.14041416 19474.91819648 -29581.04005999 -25360.20128592 Ac 25.27812781 22.79098848 22.26215777 19364.30006770 -9198.06664205 4456.42769142 Ac 20.87679405 24.09027739 21.46238060 -28340.08520963 -14984.69875447 -15119.41616367 Ac 22.56504129 25.20865944 22.36550211 -84769.86843395 109425.46061387 98225.71649464 Ac 23.78802619 24.22277084 21.18584377 93291.58209965 -67316.99923278 -114140.24885907 Ac 25.40955323 25.48086654 22.83050726 9408.82130384 8974.61442636 -5834.38825796 Ac 21.26959405 21.37914956 23.93745809 -26599.19303015 -21113.23782551 -7701.51628049 Ac 22.50581744 22.44016584 25.47483729 16741.69786133 4655.48149108 28132.56239061 Ac 24.25067569 20.95774659 23.84337532 -232.80540932 -10061.06913900 1351.37983218 Ac 25.58780002 22.17046132 25.55319800 4712.56419753 3070.86195225 5509.99550247 Ac 21.19178619 24.24105518 24.42503730 -34897.45438880 -19625.88319230 -24287.69424506 Ac 22.44158300 25.53253581 25.64904689 21191.81995628 29617.00916553 28484.39241212 Ac 23.78091226 24.10609294 24.03638427 5371.34084630 -13574.26543386 8448.08404684 Ac 25.35450498 25.37631097 25.42922666 6394.20098372 4580.04043927 9034.97840582