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=91.19452271723414 stress="-874.9695688737593 -373.7615043779373 -397.988527517859 -373.7615043779373 -1019.346193712368 -607.9388581330954 -397.988527517859 -607.9388581330954 -1104.447712322352" pbc="F F F" Po -0.00222988 -0.04813112 -0.09356449 2.00106743 1.97539575 2.23687681 Po 1.79048874 1.26137017 1.54390667 -224.42340190 14.26660067 31.41110439 Po 2.98477118 0.39118086 -0.00145824 96.90454481 -100.80368325 -181.40666531 Po 4.37137586 1.25316324 1.75012590 86.89332581 37.03694636 -39.35056854 Po -0.17275919 2.82375865 0.12785321 4.09201541 -2.10316119 2.82545014 Po 1.44471700 4.37475329 1.83637493 -29.95342203 45.06697933 -35.72143525 Po 2.83514632 3.20635712 -0.04855117 0.36168805 -5.90942347 -4.52646146 Po 4.55265744 4.50346023 1.53152080 -0.50530979 -1.14514710 2.96031518 Po 0.12770397 0.18459379 3.23110512 -327.50981116 -385.07809825 -340.28371611 Po 1.21521866 1.39849811 4.37330312 358.93042650 332.02167135 380.94397530 Po 3.00719331 -0.16641417 2.97337466 -40.71455627 -94.32596892 36.79797128 Po 4.38837208 1.28595655 4.23617939 28.49715723 25.45510361 46.85843860 Po -0.19818414 2.65029169 2.99669863 -50.28718745 28.26034449 -48.78970511 Po 1.15427806 4.19173749 4.34014128 12.16449339 15.81261366 28.92179609 Po 2.78063513 2.73366294 2.81335445 83.74988523 89.52987815 115.76974186 Po 4.39439036 4.21795629 4.30516276 -0.20091526 -0.06005119 1.35288215