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=25.0512466578 stress="-1.298639352950118 0.7000395939839594 -0.444960334936173 0.7000395939839594 -1.0219197841250893 0.5113013908478568 -0.444960334936173 0.5113013908478568 -1.6502082033133785" pbc="F F F" In -0.05349260 0.13361991 -0.16575405 -0.60095546 2.95497947 -0.57161581 P 1.41049160 1.47513168 1.43858073 -6.16615889 -7.71077049 -9.06067545 In 2.71637418 0.19885283 0.13224682 4.57653731 -0.73784756 -1.30720606 P 4.20245745 1.66431082 1.31425730 61.09722109 -54.05042040 43.91274955 P 0.19223402 3.27132309 -0.10028026 -20.46016618 -12.26083350 -30.65025969 In 1.14288316 4.24327369 1.30250343 15.55584912 14.97978294 19.24930908 P 3.21813893 2.76716069 0.19410236 -40.68890875 57.14873219 -57.91779929 In 4.51841841 4.40216949 1.31271370 3.03593406 0.92175747 -1.47919138 In -0.00285990 -0.08687491 2.68090818 2.06214966 2.60107326 3.02800938 P 1.59480410 1.94567089 4.79391194 2.60820716 1.37537982 5.45576475 P 2.72614529 0.02103145 2.77761356 4.64992201 -13.73444469 9.01050419 In 4.63681147 1.46690777 4.60999716 -1.17713154 -0.88465690 -0.29495058 P 0.02724172 2.77538150 2.70296332 -14.67439050 10.22668383 12.08364165 In 1.50607707 4.48648138 4.17492566 -1.43202467 -1.93122898 2.04814646 In 3.28503885 2.90572841 2.76764033 -8.58727685 0.40588769 6.78096523 P 4.65118234 4.03045640 4.34858364 0.20119242 0.69592585 -0.28739202