32
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=41717.32682815914 stress="-1.6671574884869031 -0.29740872937496743 -0.31059942036835475 -0.29740872937496743 -2.7057885681389475 -0.012771770625064006 -0.31059942036835475 -0.012771770625064006 -2.697706748542627" pbc="F F F"
At      20.80414622      20.89458187      21.04589681    -144.04642050   -1474.41098595    -986.29523312 
At      22.78737279      22.34013982      20.85018220   -6396.80751757    -364.95248759   -1173.05160676 
At      22.77525869      20.97414171      22.31394444  -12938.82137393  -13976.24060528    -452.53326553 
At      20.82452518      22.50592674      22.08768912    -504.46468566     490.99024497    1587.87636058 
At      23.82405664      20.90299031      20.90968185    6088.60684123   -4309.27386165   -4770.74460842 
At      25.71330074      23.04981522      20.88834508    1208.49955039   -3233.09871521   -3179.41933517 
At      25.17466888      20.83524389      22.59170698    3152.70925851   -1846.66521352   -2778.13381399 
At      23.63282411      22.27579688      22.74909591    -968.66455866   43004.48196379  -28641.63987368 
At      21.18123960      23.98396634      20.82191059   -4772.01640958   -8755.88855622   -4612.05394626 
At      22.17071078      25.33347010      21.04323415    8209.05839790    8207.04619052   -1197.46294764 
At      22.43498554      23.88316966      22.73376467    3005.35555578   -7779.48274327  -11000.64489206 
At      20.76759721      25.13398759      22.17579774   -4019.97432567    1951.21014292    4541.69538352 
At      23.79981815      23.75901721      20.75670397    2859.40143913    5004.63861921    -630.71246850 
At      25.68350138      25.34966728      21.10470978    2947.53047816   14907.16229491  -15073.92242215 
At      25.49549615      24.23034010      22.21709627    1483.32817503  -16062.53586921   16181.02334006 
At      24.18333836      25.34867646      22.53273553   -8646.44716591    3621.18873362   -3901.96639890 
At      21.08283996      20.90726396      23.91726645  -16344.66403380  -16055.09204079   -9297.23491822 
At      22.11729241      21.92704033      24.51249992   17504.93713740   17288.82143097   -4739.79461364 
At      22.56759998      20.97109448      25.78638532    3358.09168685   -7247.59250172    9573.37873655 
At      21.12123991      22.79720586      25.58885849   -9607.33690795   -3376.81762511   12044.78400031 
At      23.93317071      21.28408043      23.83007149    4380.27373187  -32681.60120657   36405.40667765 
At      25.26078867      22.45442134      23.83044150    5026.90505037    3905.70127230     937.90123574 
At      25.48825653      21.06935658      25.69211849     223.57279357    -286.85796014     121.54097770 
At      24.10841196      22.76829556      25.78453247    -474.19812273    -473.78257865     470.36537506 
At      21.55320616      23.72910373      24.23103060  -13597.32358704   -3737.45069876  -20369.63411038 
At      22.39725325      25.25599108      23.68780246      78.21692843   12351.63665234    4734.86490383 
At      22.27424968      24.18091786      25.55872209   14685.08006945    7040.22466423   19987.73455013 
At      20.97543563      25.46668997      25.54235766   -2454.82664573    2487.28083785     158.75204807 
At      24.01086444      24.29765980      24.24938443   -1679.79336092  -19861.49611384  -23137.55512659 
At      25.40751254      25.52686125      23.75609906    5778.67377666    2402.42898987    4383.39488261 
At      25.46407904      24.32011931      25.67543725    9797.19298744   -5377.17272876    1899.43968331 
At      24.07439159      25.23149335      25.47985602   -7238.04874254   24237.60045474   22914.64142591