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=1.9178067908532666 stress="-0.000288248137452186 -1.598003522766545e-05 -8.923572006941093e-06 -1.598003522766545e-05 -0.0002605412153210997 8.996188356956244e-06 -8.923572006941093e-06 8.996188356956244e-06 -0.00027697112234926477" pbc="F F F" S 20.82702941 21.07034430 21.04852473 -0.58583173 -0.42996782 -0.94809448 S 22.55473499 22.26216559 22.63661615 0.49527273 1.37184837 -1.84296971 S 23.77721269 20.87719504 20.79869006 0.13460717 -0.98068825 -0.90845835 S 25.61041876 22.08966455 22.33533445 0.78392992 0.37824847 -0.07122150 S 20.74148635 23.99660768 21.03369179 -0.97325988 -0.07269307 -1.03376083 S 22.52598936 25.22329650 22.46375436 0.69359189 2.87440564 -0.83439831 S 23.62869963 23.75559716 20.70178472 0.63435743 -0.03978720 -1.15147204 S 25.73732899 25.27290972 22.13295607 0.16345817 0.11771738 0.08570862 S 20.86136659 21.05835534 23.74645637 -1.72466412 -1.31861839 1.25423493 S 22.48193431 22.57490648 25.70070203 -0.39831770 -0.34516584 1.49577388 S 23.70342959 20.90085166 23.99793547 1.44502663 -2.22613719 1.35056856 S 25.78187239 22.56989732 25.18699084 0.60757415 -0.32672986 0.56417970 S 21.10170120 23.87793365 23.71904386 -2.58283348 0.15712604 1.67328526 S 22.50082602 25.74624097 25.64302402 -0.72100076 0.69142484 0.59943636 S 23.85498893 24.11042859 24.20947124 0.80266301 -0.86980485 -0.92860371 S 25.35512851 25.55280714 25.41333883 1.22542658 1.01882174 0.69579161