32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=8966.765992393706 stress="-35741.99306297605 90.55497400972854 2982.195877449123 90.55497400972854 -38212.76981476249 10769.574242358176 2982.195877449123 10769.574242358176 -41685.43540725535" pbc="F F F"
Tl       0.14142444       0.05165993       0.22020943   -2895.10585259   -2309.54126612   -1083.30256765 
Tl       1.24047445       1.31899731       0.17440833    1606.71436081    3331.81145855   -1604.20638211 
Tl       1.39891574       0.16223709       1.44544654    2132.10810281   -1256.14005243    1339.41751521 
Tl      -0.24819283       1.38488256       1.78929889    -807.06696451    1560.64654087    -981.92629248 
Tl       3.00834588       0.02578166       0.27532319    -122.49326701    -378.65901433    -368.12893329 
Tl       4.53822524       1.25014591       0.21188321     505.69591676     116.34355271    -317.15150045 
Tl       4.39567414      -0.22150207       1.76337958    2161.51733041     -83.81066823   -1853.56035804 
Tl       3.04219343       1.75734456       1.44406407     685.13177748   -5328.51833377    5925.63867718 
Tl      -0.05783286       3.05428150       0.24243679      38.92646947    -970.43980870   -1008.26023776 
Tl       1.84304438       4.33070478      -0.21885585   -1158.47810181     369.17581245   -1224.19518517 
Tl       1.76190606       3.12235581       1.74009580    -926.32379578    -587.66303479     -26.25912352 
Tl      -0.21482308       4.34363798       1.43774569    -208.84177838    1103.77459762     880.89140107 
Tl       2.88709471       2.75429419       0.26204070    -734.71700346    2967.61826935   -6914.13817054 
Tl       4.35251595       3.93673652      -0.07262279    1140.34808021     126.91729303    -795.09549389 
Tl       4.72797245       2.70731326       1.77700753     719.98044967    1121.06432976   -1269.22842455 
Tl       3.01724491       4.29151401       1.09496675     913.25578251    2130.48932435    2187.52924580 
Tl       0.23605129       0.03734981       2.75495111   -1327.04326151   -2555.80799619    1688.98026716 
Tl       1.47736695       1.22368005       3.26197972    4173.87171841    1139.33317225   -3550.62032412 
Tl       1.32367461       0.27976204       4.72225401    2114.64584993   -3509.91990358    2462.73365717 
Tl       0.19932763       1.38948067       4.26064457   -5764.84630857    2689.85856117    1912.23807194 
Tl       3.21564764      -0.24340644       2.95211987   -2672.42337732    -179.05504057    1332.59018570 
Tl       4.43148854       1.70765543       3.17518577     364.59194550   -1540.16906563    1181.04711433 
Tl       4.46312818      -0.12300746       4.26825541     753.86201323    -111.46412937     745.36792521 
Tl       3.00096659       1.34295447       4.70585312     196.16815153     180.63555018     238.31423587 
Tl       0.28430079       2.94821905       3.09833520   -3252.68859725   -3234.42806814    -970.16911949 
Tl       1.26175631       4.26314491       3.08177909    2534.25016455    5878.52284606   -3018.21968089 
Tl       1.68962137       3.13548038       4.21025500    1161.01321174   -2290.76598452    3445.62115514 
Tl       0.00000056       4.40317369       4.25607091   -1570.77244821     701.67624464    1664.70160251 
Tl       3.26792312       3.13234256       3.22232102   -1053.70342737      68.11100546   -1563.10850926 
Tl       4.67750707       4.60449581       3.26909320     569.50667656     957.69581426    -987.71409030 
Tl       4.42140655       3.34489015       4.52350843    1534.30079291   -1139.51910174    2081.56287015 
Tl       3.11945367       4.62713997       4.46875216    -811.38461073    1032.22709538     448.65046908