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=0.824985355112674 stress="-0.00019606078308799556 -2.9587569981409213e-06 -3.0368613824717012e-05 -2.9587569981409213e-06 -0.00012221124279288673 6.463571469495855e-05 -3.0368613824717012e-05 6.463571469495855e-05 -0.00012956509215479733" pbc="F F F" Xe 21.08029288 21.14622330 21.23937201 -0.16130012 -0.29435572 -0.10954027 Xe 22.50190319 22.80028924 22.35338472 2.24860735 -3.30584488 4.18492711 Xe 23.88646387 21.22807220 20.88760392 -0.03387685 -0.13564580 -0.16642068 Xe 25.41450119 22.20047191 22.67408945 2.13725872 1.51423318 -1.36816778 Xe 21.09483406 23.75787595 21.22744757 -3.62070668 2.58653603 -2.88512422 Xe 22.73323627 25.68206732 22.79616735 -0.88914400 0.92988589 -0.77446858 Xe 23.97117909 23.98099968 21.26748005 1.28902049 0.93597960 -1.29869609 Xe 25.50416538 25.66026921 22.28083775 0.20777950 0.20825604 0.03664243 Xe 21.48987090 20.78001075 24.34546677 -0.22883215 -0.09093417 -0.08297809 Xe 22.58740295 22.66597443 25.65012894 0.17250581 0.03289289 0.09493613 Xe 23.91613914 21.12330491 23.73537767 -1.85584980 -1.49350740 1.41699804 Xe 25.54478901 22.53518051 25.33462807 0.01048794 0.00197982 0.06969512 Xe 20.76580173 24.03444007 24.40205897 -0.50955528 -0.33642609 -0.35986708 Xe 22.52171256 25.30915416 25.29116092 0.07409327 0.63718639 0.75337478 Xe 24.07788674 24.24875231 23.86408365 0.85021344 -1.45273733 0.03159737 Xe 25.19210297 25.24857777 25.68184346 0.30929837 0.26250154 0.45709180