108 Lattice="9.652657453995197 0.0 0.0 0.0 9.652657453995197 0.0 0.0 0.0 9.652657453995197" Properties=species:S:1:pos:R:3:forces:R:3 energy=-686.8691886004475 stress="-4.883478709320123 -29.402194353205118 6.471587267887088 -29.402194353205118 -43.88703969345342 19.3011577231359 6.471587267887088 19.3011577231359 19.936481375731262" pbc="F F F" He -0.02366674 -0.02355123 0.04050458 0.08702230 -0.92329482 -0.97558581 H 1.59661875 1.57448483 -0.01541025 1.19872314 0.74516022 2.23461149 H 1.60037293 0.01174744 1.61916523 -0.83055211 1.91078333 1.22003662 W 0.01888082 1.59746954 1.62231512 2.72120883 4.24264096 0.15564112 W 3.18676168 0.01342201 -0.02189995 1.32524001 7.15595452 4.79523079 H 4.80988308 1.58202006 0.00829826 -0.63368612 2.27795434 1.99275827 H 4.80993860 0.01577382 1.59676258 1.13091870 2.67200577 2.03389936 H 3.23556440 1.58542224 1.59703527 0.32462256 1.49100497 0.89921397 H 6.47113265 0.02375916 0.01980019 1.56690993 2.18294974 4.91014065 He 8.06377748 1.63360114 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