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=14250.048705601217 stress="-54167.628879659256 8726.11656290802 -32933.67086485898 8726.11656290802 -59737.625898819504 13402.886636773977 -32933.67086485898 13402.886636773977 -71937.32783084805" pbc="F F F" Np 0.28431257 0.15869460 -0.06628312 -4860.04289661 -5015.06485356 -4308.55607576 Np 1.66079607 1.42114802 1.20155839 3259.47259919 3228.64836905 5600.71096482 Np 3.22104033 -0.22120188 -0.06695851 498.37072844 -1675.38621417 -1262.61231471 Np 4.31868444 1.76016573 1.26429667 16810.16556437 -15050.01666677 14086.34123087 Np 0.29352093 2.83982235 -0.07936137 -3315.05731366 2626.72882165 -3188.44619235 Np 1.45770933 4.57651571 1.44034506 449.40751715 1346.41528787 214.78796213 Np 3.28834275 2.77323424 -0.20215892 -12039.14302534 13153.25529340 -19927.77277541 Np 4.35730054 4.59218312 1.44684612 1239.51730224 2041.52850453 -682.61552506 Np 0.20963630 -0.09875037 3.51989864 -1863.81094636 -1016.97738686 -153.75014373 Np 1.67450832 1.73441182 4.59472920 537.83503246 -442.76863549 2756.69565833 Np 2.71046407 -0.00256486 2.82112727 2512.88655572 -2900.69269789 1768.84083175 Np 4.49140317 1.57104023 4.55626216 3195.58500260 -3178.23207003 3856.44715056 Np 0.06436079 3.15577037 3.30923012 -5224.75863435 -3556.91279382 -4036.21874639 Np 1.29791744 4.65845096 4.50096581 3490.06963073 4662.49103182 3646.82456148 Np 3.37392789 2.89313627 3.02486529 -5040.58372507 5224.52022873 1147.77810103 Np 4.50802094 4.76833917 4.58821788 350.08660847 552.46378154 481.54531245