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=3809.2171267871645 stress="-0.21305800690248014 -0.014888370039497742 -0.01793613620213875 -0.014888370039497742 -0.25404759280865374 -0.06085632739660867 -0.01793613620213875 -0.06085632739660867 -0.20565698790542727" pbc="F F F" Er 21.06457602 20.87098455 21.35370440 -171.55740139 -216.49072469 -240.36771747 Er 22.51589772 22.60310891 22.63294729 615.72945756 -961.90434050 957.03274060 Er 24.28697887 21.10644171 21.23214966 -1398.59010084 -2305.35089203 -2353.08979148 Er 25.25146478 22.50769029 22.55398906 2860.77315755 3328.45416653 805.21545016 Er 21.28510216 23.87037240 21.22519209 -1391.07501681 801.55479391 -1247.96429038 Er 22.76206634 25.74703108 22.20520874 -837.64498129 1441.44881913 810.24389591 Er 23.88843786 24.12842649 21.06454475 862.59110864 -908.44717525 -1373.91175191 Er 25.36667341 25.51668237 22.64923661 490.37694481 286.87623264 82.10421304 Er 21.19801708 20.84724499 24.13007747 -296.19608624 -353.16136362 29.42579328 Er 22.55109284 22.46016686 25.58468150 -189.89123857 -375.49099320 786.28329024 Er 24.25428187 21.03053277 23.88983542 -840.58831609 -1751.79137429 1405.45886004 Er 25.41051961 22.60205341 25.71499070 359.67994836 -117.89861572 338.61933841 Er 21.04534316 24.17351842 24.27709955 -1517.86876772 -727.95961287 -753.07741901 Er 22.62163756 25.45189235 25.28666719 -1101.76674004 3438.73058359 2502.12075350 Er 23.85623082 24.02809052 24.27074656 2134.42664822 -1893.11580904 -2045.85098147 Er 25.26594320 25.56712001 25.66898784 421.60138385 314.54630541 297.75761652