32
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=41717.32682815919 stress="-123516.3640070183 -22034.417941932646 -23011.68985625115 -22034.417941932646 -200466.46343627927 -946.2349420706742 -23011.68985625115 -946.2349420706742 -199867.69758602584" pbc="F F F"
At      -0.19585378      -0.10541813       0.04589681    -144.04642050   -1474.41098595    -986.29523312 
At       1.78737279       1.34013982      -0.14981780   -6396.80751757    -364.95248759   -1173.05160676 
At       1.77525869      -0.02585829       1.31394444  -12938.82137393  -13976.24060528    -452.53326553 
At      -0.17547482       1.50592674       1.08768912    -504.46468566     490.99024497    1587.87636058 
At       2.82405664      -0.09700969      -0.09031815    6088.60684123   -4309.27386165   -4770.74460842 
At       4.71330074       2.04981522      -0.11165492    1208.49955039   -3233.09871521   -3179.41933517 
At       4.17466888      -0.16475611       1.59170698    3152.70925851   -1846.66521352   -2778.13381399 
At       2.63282411       1.27579688       1.74909591    -968.66455866   43004.48196379  -28641.63987368 
At       0.18123960       2.98396634      -0.17808941   -4772.01640958   -8755.88855622   -4612.05394626 
At       1.17071078       4.33347010       0.04323415    8209.05839790    8207.04619052   -1197.46294764 
At       1.43498554       2.88316966       1.73376467    3005.35555578   -7779.48274327  -11000.64489206 
At      -0.23240279       4.13398759       1.17579774   -4019.97432567    1951.21014292    4541.69538352 
At       2.79981815       2.75901721      -0.24329603    2859.40143913    5004.63861921    -630.71246850 
At       4.68350138       4.34966728       0.10470978    2947.53047816   14907.16229491  -15073.92242215 
At       4.49549615       3.23034010       1.21709627    1483.32817503  -16062.53586921   16181.02334006 
At       3.18333836       4.34867646       1.53273553   -8646.44716591    3621.18873362   -3901.96639890 
At       0.08283996      -0.09273604       2.91726645  -16344.66403380  -16055.09204079   -9297.23491822 
At       1.11729241       0.92704033       3.51249992   17504.93713740   17288.82143097   -4739.79461364 
At       1.56759998      -0.02890552       4.78638532    3358.09168685   -7247.59250172    9573.37873655 
At       0.12123991       1.79720586       4.58885849   -9607.33690795   -3376.81762511   12044.78400031 
At       2.93317071       0.28408043       2.83007149    4380.27373187  -32681.60120657   36405.40667765 
At       4.26078867       1.45442134       2.83044150    5026.90505037    3905.70127230     937.90123574 
At       4.48825653       0.06935658       4.69211849     223.57279357    -286.85796014     121.54097770 
At       3.10841196       1.76829556       4.78453247    -474.19812273    -473.78257865     470.36537506 
At       0.55320616       2.72910373       3.23103060  -13597.32358704   -3737.45069876  -20369.63411038 
At       1.39725325       4.25599108       2.68780246      78.21692843   12351.63665234    4734.86490383 
At       1.27424968       3.18091786       4.55872209   14685.08006945    7040.22466423   19987.73455013 
At      -0.02456437       4.46668997       4.54235766   -2454.82664573    2487.28083785     158.75204807 
At       3.01086444       3.29765980       3.24938443   -1679.79336092  -19861.49611384  -23137.55512659 
At       4.40751254       4.52686125       2.75609906    5778.67377666    2402.42898987    4383.39488261 
At       4.46407904       3.32011931       4.67543725    9797.19298744   -5377.17272876    1899.43968331 
At       3.07439159       4.23149335       4.47985602   -7238.04874254   24237.60045474   22914.64142591