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=901.4689153347522 stress="-0.06767595286026669 -0.010643270648540008 -0.01935056138265708 -0.010643270648540008 -0.05614568852496489 -0.016519034043167354 -0.01935056138265708 -0.016519034043167354 -0.060766674127434174" pbc="F F F" Lr 20.96703086 21.06656690 20.83612350 -87.62370932 -99.88300528 -94.04784367 Lr 22.35068111 22.30825776 22.41987241 185.01439035 -242.97630820 626.78148086 Lr 23.91425721 21.15816096 21.19812173 168.09750580 -224.84473798 -263.13666512 Lr 25.59935099 22.51924893 22.43441334 460.93492616 -271.95825444 -320.14024587 Lr 21.28218363 23.73369073 21.18956828 -513.53462394 400.43169197 -519.45875863 Lr 22.34261792 25.37777985 22.60852646 154.73369522 376.70781569 -81.86375573 Lr 23.77101162 24.26466518 20.98493101 109.32921749 -76.60399000 -183.42185483 Lr 25.29003454 25.54060489 22.55751763 139.73831138 195.38125003 -44.05083448 Lr 20.90004622 21.33310738 24.40088051 -1123.00675426 -579.52492519 -711.77594819 Lr 22.47700512 22.13353247 25.46755357 1045.00453267 593.26648815 818.94082158 Lr 23.93350894 20.86051576 23.88105058 60.83155028 -126.86774069 -5.84168875 Lr 25.53851612 22.49621749 25.30053418 128.62703071 -106.89534750 158.36429877 Lr 21.16522680 24.23492246 24.19470564 -659.60526848 -729.74389473 -252.76339410 Lr 22.26387839 25.60871187 25.41257806 457.78431226 572.24135761 521.90124881 Lr 24.26144822 23.71809944 23.70270664 -540.13486024 277.76052339 319.70365510 Lr 25.35272423 25.21304682 25.62053645 13.80974396 43.50907718 30.80948428