108 Lattice="9.729636350351939 0.0 0.0 0.0 9.729636350351939 0.0 0.0 0.0 9.729636350351939" Properties=species:S:1:pos:R:3:forces:R:3 energy=-730.3520941664694 stress="-0.030302530656605285 -0.007726465495489344 -0.006828491647937305 -0.007726465495489344 -0.05207677890886311 0.05342890680891083 -0.006828491647937305 0.05342890680891083 0.0363155608311249" free_energy=-730.3520941664694 pbc="F F F" He 0.04222111 0.01319218 0.01891631 -0.99049092 -0.93875193 0.04197913 W 1.59804962 1.67453283 0.02290156 -3.73195572 -0.32601627 -1.64844625 He 1.66691846 0.00161316 1.62744768 0.05688371 -1.84730555 0.10528592 H 0.00231789 1.64747673 1.64114663 4.76502717 1.57627843 1.57228487 He 3.21847921 0.01757003 0.00094588 -0.06459775 -0.86556173 -0.91539457 He 4.84642344 1.60110510 0.01551875 -0.76514744 1.03519431 -1.76566363 W 4.85826618 0.00105530 1.59886100 -2.42115298 -2.50802475 -2.20476841 H 3.24428076 1.64600192 1.59830396 -0.51280455 0.85815295 1.20930667 H 6.49079481 0.02657621 0.02232707 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