16 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=9086.182195147077 stress="-0.5593935675707209 0.10334307531733324 -0.10663392765732184 0.10334307531733324 -0.4954976728286811 -0.027303051469660798 -0.10663392765732184 -0.027303051469660798 -0.5013564342473896" pbc="F F F" U 21.16403691 21.03610988 21.25717001 -3196.49741958 -3105.07246611 -2326.92726133 U 22.55040946 22.29198434 22.37184449 -3464.17280937 5222.77840605 8821.09300665 U 23.84783635 21.28335910 21.15154906 5827.45569142 -6105.04552940 -6864.85938877 U 25.46942388 22.74021354 22.10637174 3859.14044944 -1500.93980249 1061.15258484 U 21.32007446 23.60897724 20.99256110 -1896.80468659 1693.76983423 -1919.42527786 U 22.27562150 25.36756021 22.71404146 -674.60855341 2080.07875339 -1121.98780747 U 23.91399067 24.03578786 21.12341994 -1383.52780531 2050.44991913 -2999.86563405 U 25.48635431 25.44861417 22.66795787 962.03001472 1154.97146256 -1133.84420307 U 21.29620016 21.06090554 24.30816111 -1303.83309730 -1672.11148559 -472.30672815 U 22.45912219 22.76456213 25.40412209 6263.87923841 -3892.44409250 6593.08739273 U 23.99164378 20.94058627 23.94229225 452.65770455 -814.98740332 291.82127114 U 25.49593475 22.59239968 25.34206131 389.75477095 -66.37960518 379.32233124 U 21.14743984 23.82629011 24.21219900 -7296.58497168 3485.15009773 -5012.47129831 U 22.62920196 25.35681568 25.32230307 590.99053963 1419.56931675 1161.04618176 U 23.89256392 23.85493105 23.55780688 618.31644471 -215.12062663 2437.58729477 U 25.54091043 25.36034007 25.10834746 251.80448940 265.33322136 1106.57753587