32
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=8966.765992393674 stress="-0.4824262102226534 0.0012222623638068158 0.04025207695509574 0.0012222623638068158 -0.5157754267190673 0.14536192423007813 0.04025207695509574 0.14536192423007813 -0.5626476002490968" free_energy=8966.765992393674 pbc="F F F"
Tl      21.14142444      21.05165993      21.22020943   -2895.10585259   -2309.54126612   -1083.30256765
Tl      22.24047445      22.31899731      21.17440833    1606.71436081    3331.81145855   -1604.20638211
Tl      22.39891574      21.16223709      22.44544654    2132.10810281   -1256.14005243    1339.41751521
Tl      20.75180717      22.38488256      22.78929889    -807.06696451    1560.64654087    -981.92629248
Tl      24.00834588      21.02578166      21.27532319    -122.49326701    -378.65901433    -368.12893329
Tl      25.53822524      22.25014591      21.21188321     505.69591676     116.34355271    -317.15150045
Tl      25.39567414      20.77849793      22.76337958    2161.51733041     -83.81066823   -1853.56035804
Tl      24.04219343      22.75734456      22.44406407     685.13177748   -5328.51833377    5925.63867718
Tl      20.94216714      24.05428150      21.24243679      38.92646947    -970.43980870   -1008.26023776
Tl      22.84304438      25.33070478      20.78114415   -1158.47810181     369.17581245   -1224.19518517
Tl      22.76190606      24.12235581      22.74009580    -926.32379578    -587.66303479     -26.25912352
Tl      20.78517692      25.34363798      22.43774569    -208.84177838    1103.77459762     880.89140107
Tl      23.88709471      23.75429419      21.26204070    -734.71700346    2967.61826935   -6914.13817054
Tl      25.35251595      24.93673652      20.92737721    1140.34808021     126.91729303    -795.09549389
Tl      25.72797245      23.70731326      22.77700753     719.98044967    1121.06432976   -1269.22842455
Tl      24.01724491      25.29151401      22.09496675     913.25578251    2130.48932435    2187.52924580
Tl      21.23605129      21.03734981      23.75495111   -1327.04326151   -2555.80799619    1688.98026716
Tl      22.47736695      22.22368005      24.26197972    4173.87171841    1139.33317225   -3550.62032412
Tl      22.32367461      21.27976204      25.72225401    2114.64584993   -3509.91990358    2462.73365717
Tl      21.19932763      22.38948067      25.26064457   -5764.84630857    2689.85856117    1912.23807194
Tl      24.21564764      20.75659356      23.95211987   -2672.42337732    -179.05504057    1332.59018570
Tl      25.43148854      22.70765543      24.17518577     364.59194550   -1540.16906563    1181.04711433
Tl      25.46312818      20.87699254      25.26825541     753.86201323    -111.46412937     745.36792521
Tl      24.00096659      22.34295447      25.70585312     196.16815153     180.63555018     238.31423587
Tl      21.28430079      23.94821905      24.09833520   -3252.68859725   -3234.42806814    -970.16911949
Tl      22.26175631      25.26314491      24.08177909    2534.25016455    5878.52284606   -3018.21968089
Tl      22.68962137      24.13548038      25.21025500    1161.01321174   -2290.76598452    3445.62115514
Tl      21.00000056      25.40317369      25.25607091   -1570.77244821     701.67624464    1664.70160251
Tl      24.26792312      24.13234256      24.22232102   -1053.70342737      68.11100546   -1563.10850926
Tl      25.67750707      25.60449581      24.26909320     569.50667656     957.69581426    -987.71409030
Tl      25.42140655      24.34489015      25.52350843    1534.30079291   -1139.51910174    2081.56287015
Tl      24.11945367      25.62713997      25.46875216    -811.38461073    1032.22709538     448.65046908