40 Lattice="-6.21267 0.0 6.787256 -6.21267 0.0 -6.787256 0.0 -11.107133 0.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.39501398505294 stress="-0.0022961911165317256 6.360864564631768e-08 3.888549014002283e-20 6.360864564631768e-08 -0.0013523889777485453 0.0 3.888549014002283e-20 0.0 -0.0010745786540997618" pbc="T T T" Cl -6.21267000 0.00000000 3.34440000 0.00000482 0.00000830 0.22515150 Cl -6.21267000 0.00000000 -3.34440000 0.00000482 0.00000830 -0.22515150 Cl -2.98493000 -0.16611000 1.69358000 0.19210524 0.04083566 -0.10827820 Cl -2.98493000 -0.16611000 -1.69358000 0.19210524 0.04083566 0.10827820 Cl -8.02085000 -2.55236000 0.00000000 0.06523406 -0.14256335 0.00000000 Cl -5.03792000 -2.73986000 5.09608000 -0.07667062 0.13728879 0.08918750 Cl -5.03792000 -2.73986000 -5.09608000 -0.07667062 0.13728879 -0.08918750 Cl -8.00149000 -2.77678000 3.39363000 0.06429198 -0.00001287 -0.00001648 Cl -8.00149000 -2.77678000 -3.39363000 0.06429198 -0.00001287 0.00001648 Cl -5.03792000 -2.81370000 1.69117000 -0.07668512 -0.13730912 -0.08916688 Cl -5.03792000 -2.81370000 -1.69117000 -0.07668512 -0.13730912 0.08916688 Cl -1.80819000 -3.00121000 -0.00000000 0.06530333 0.14262758 0.00000000 Cl -9.19760000 -5.38746000 1.69358000 0.19211567 -0.04080075 -0.10827000 Cl -9.19760000 -5.38746000 -1.69358000 0.19211567 -0.04080075 0.10827000 Cl -6.21267000 -5.55357000 3.44286000 -0.00001121 0.00002533 -0.22516762 Cl -6.21267000 -5.55357000 -3.44286000 -0.00001121 0.00002533 0.22516762 Cl -3.22774000 -5.71968000 1.69358000 -0.19209568 0.04083912 -0.10826881 Cl -3.22774000 -5.71968000 -1.69358000 -0.19209568 0.04083912 0.10826881 Cl -10.61715000 -8.10593000 -0.00000000 -0.06527220 -0.14256539 0.00000000 Cl -7.38742000 -8.29343000 1.69117000 0.07669267 0.13726330 -0.08913868 Cl -7.38742000 -8.29343000 -1.69117000 0.07669267 0.13726330 0.08913868 Cl -4.42384000 -8.33035000 3.39363000 -0.06432912 -0.00000012 -0.00000703 Cl -4.42384000 -8.33035000 -3.39363000 -0.06432912 -0.00000012 0.00000703 Cl -7.38742000 -8.36727000 5.09608000 0.07668522 -0.13728956 0.08917803 Cl -7.38742000 -8.36727000 -5.09608000 0.07668522 -0.13728956 -0.08917803 Cl -4.40448000 -8.55477000 -0.00000000 -0.06527745 0.14257778 0.00000000 Cl -9.44041000 -10.94102000 1.69358000 -0.19210539 -0.04084976 -0.10828650 Cl -9.44041000 -10.94102000 -1.69358000 -0.19210539 -0.04084976 0.10828650 Nb -10.71021000 -1.06666000 0.00000000 -0.02395924 0.06469117 0.00000000 Nb -6.98546000 -1.24989000 5.30466000 -0.00379251 0.01821036 -0.01179557 Nb -6.98546000 -1.24989000 -5.30466000 -0.00379251 0.01821036 0.01179557 Nb -6.98546000 -4.30367000 1.48260000 -0.00376626 -0.01832825 0.01176902 Nb -6.98546000 -4.30367000 -1.48260000 -0.00376626 -0.01832825 -0.01176902 Nb -4.49754000 -4.48691000 0.00000000 -0.02397644 -0.06464028 0.00000000 Nb -7.92780000 -6.62023000 0.00000000 0.02398493 0.06477596 0.00000000 Nb -5.43988000 -6.80346000 1.48260000 0.00377563 0.01825599 0.01176420 Nb -5.43988000 -6.80346000 -1.48260000 0.00377563 0.01825599 -0.01176420 Nb -5.43988000 -9.85724000 5.30466000 0.00379284 -0.01824106 -0.01182182 Nb -5.43988000 -9.85724000 -5.30466000 0.00379284 -0.01824106 0.01182182 Nb -1.71513000 -10.04047000 0.00000000 0.02394688 -0.06469282 0.00000000