64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.10694897421054 stress="0.00024127783003436074 3.378096713278784e-05 0.00012066658072306741 3.378096713278784e-05 7.79282001141193e-05 6.836128603628963e-05 0.00012066658072306741 6.836128603628963e-05 0.00014441347163689108" free_energy=-20.10694897421054 pbc="F F F" O 35.66777832 35.40848838 34.67225786 0.90086647 -0.12182194 2.03765725 O 36.57976687 35.64224019 36.16351463 -1.42357353 -0.39651810 -2.23339262 O 37.26740935 37.12428404 35.20936573 6.04892205 6.19720860 2.14150017 O 38.40380265 38.20264086 35.74411185 -5.86016876 -5.83058415 -2.61905408 O 37.80446300 35.34447162 38.17840471 3.89348016 4.91085108 0.13605712 O 38.51691945 36.50961182 38.25200893 -8.82830949 -10.61903000 1.77739718 O 34.90509381 37.91057435 37.35549630 -0.72986250 -0.21874270 -0.30785133 O 36.69479542 38.35744518 38.46361660 2.61510522 14.77964497 -12.38266310 O 40.00572324 35.48857920 35.39988117 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42.43275189 37.53656708 0.34150603 0.32206126 0.50466586 O 35.90090877 43.24857045 38.82619384 -0.53993454 -0.19261992 -0.56628703 O 39.84741065 40.10467923 34.69584825 0.04453858 0.06461558 -0.18372129 O 40.95343381 41.50952489 36.71111631 -4.73862839 3.98015965 6.01734938 O 42.96543266 42.33112972 35.04163954 3.33390176 4.58866521 5.00901795 O 43.68171700 43.33004603 36.17291825 -3.22883421 -4.50066012 -5.12154143 O 42.89046231 40.31130127 37.33077413 0.31124241 -0.75044668 -0.88403354 O 43.41597872 41.01152162 39.35965163 -4.25566256 3.47378688 0.34122283 O 40.07023254 42.25522559 37.90429937 4.53051830 -3.71818927 -6.12443204 O 40.97154239 43.79578603 38.88188942 -0.09446344 0.32219051 -0.05803356 O 35.15294995 35.40113524 39.50274470 -0.13345567 -0.12066252 -0.13163272 O 36.02776417 36.66092744 41.58737120 2.56659884 -1.82506149 0.68195916 O 37.60231780 37.87283489 40.02776773 9.86126997 4.53888860 10.44592720 O 38.66501309 38.56677778 41.01917747 -8.68633917 -5.35856166 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42.96343873 43.42384098 0.32365550 0.18944221 0.35052755