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=-44.5424187147 stress="-0.9302575927414071 0.13021592594980316 0.1861453027187591 0.13021592594980316 -1.0363260883147913 -0.1061704103493766 0.1861453027187591 -0.1061704103493766 -0.9843546342126972" pbc="F F F" U 0.00779751 -0.20494074 0.16819056 0.03911779 -0.05785043 0.14101152 U 1.70288723 1.68513451 1.29585403 -15.07456203 -6.76483792 2.03086596 U 2.94809454 0.22094491 0.23171545 4.73874741 -10.04636570 -8.06328396 U 4.68190327 1.19976863 1.43123639 4.54557150 1.07158042 1.19005904 U -0.07432024 3.37614763 -0.07477148 -0.63763646 0.44782416 -0.75562349 U 1.78278197 4.56210000 1.63362859 -8.93914268 15.79169358 -6.24267328 U 2.82702941 3.07034430 0.04852473 7.82607650 7.98449600 -13.64396795 U 4.55473499 4.27059962 1.74704474 5.06486632 3.16172149 -2.16984817 U 0.11427157 -0.06999782 2.71202889 -2.80619349 -2.00460615 -0.38007148 U 1.61041876 1.26735611 4.33533445 -11.06281531 9.75767526 15.98237858 U 2.74148635 0.08611608 3.03369179 8.00053550 -18.03556410 -11.06255828 U 4.37254426 1.09570885 4.28606280 4.84830003 2.45235981 3.21637824 U -0.09416457 2.66608876 2.42464893 -5.44633080 2.00470428 2.60469130 U 1.79874826 4.27290972 4.38090187 -2.83229979 3.44540163 4.99645371 U 2.86136659 3.05835534 2.74645637 10.43160485 -10.05324518 10.66850417 U 4.42051504 4.17207285 4.40315948 1.30416066 0.84501286 1.48768410