108 Lattice="9.69797551602215 0.0 0.0 0.0 9.69797551602215 0.0 0.0 0.0 9.69797551602215" Properties=species:S:1:pos:R:3:forces:R:3 energy=-717.6857519451254 stress="-0.0075049362466267176 0.012509989242688589 0.04482271927292381 0.012509989242688589 0.012040273228315322 0.016852341015164952 0.04482271927292381 0.016852341015164952 -0.032096332569948066" free_energy=-717.6857519451254 pbc="F F F" H 0.01327765 0.00824041 0.02838555 3.37717096 2.01857827 3.11578877 H 1.63871457 1.60804284 0.00623730 4.03986981 3.23766775 3.60995632 He 1.59696732 0.00795795 1.64386854 -2.20726060 -1.76397169 -2.14484821 H 0.00839327 1.63044525 1.59424854 6.24407668 2.40816205 3.98953516 H 3.19171674 0.02204686 0.03046243 -0.26457590 4.96573958 5.28493042 H 4.87568056 1.62477407 0.02085779 -2.76752515 2.46633906 3.20767515 H 4.81905548 0.02177718 1.59298339 -3.50700308 3.35365464 3.85915762 W 3.21227450 1.63010193 1.62066947 3.69895641 -3.09252288 -10.36005531 He 6.44402216 0.00721156 0.00787171 -1.04399506 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1.60347632 1.63026082 3.25498999 -16.62479664 -3.48844783 -4.57488173 H 1.63232299 0.02466372 4.83299539 3.67400117 3.79176097 -3.41667553 H 0.02687223 1.64462260 4.84219043 4.34473006 3.31062446 -0.56921034 W 3.21456539 0.01684499 3.21140111 -0.08901177 -6.03556786 -1.58995674 H 4.82885882 1.63492343 3.20180033 0.48163566 0.04812381 1.89309119 W 4.88936056 0.02443171 4.84040096 -1.94945367 -8.98422924 -2.38964279 He 3.26498078 1.59739606 4.86409916 -0.36476026 0.05310348 -0.04367699 He 6.42980404 0.02113399 3.24884925 0.00797456 -2.06090411 -2.30271963 W 8.05953104 1.62012563 3.24849997 10.23497990 -11.81721943 -7.39681363 He 8.09910332 0.00557504 4.83497400 1.03729899 -2.94264644 0.10020254 W 6.45303604 1.61080542 4.81155487 -3.93294825 -5.23067652 -0.72447214 H 0.02148635 3.28664205 3.26644303 2.22204631 1.11017394 0.08684687 W 1.63143225 4.87850449 3.24470087 4.54294054 -1.23651717 -7.28220232 W 1.61547931 3.22501687 4.81753556 -4.79644933 -6.76475046 6.47963352 W 0.00645006 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