16
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=39.03141460122505 stress="-0.005863541140528121 -0.0008987906876027693 -0.0017653039261390677 -0.0008987906876027693 -0.00423045616316217 -0.0014760321307762821 -0.0017653039261390677 -0.0014760321307762821 -0.005417333906172767" pbc="F F F"
Tl      21.39595989      21.14213292      21.07143599     -11.46144102     -19.23816471     -14.78785273 
Tl      22.26589642      22.73255214      22.58603662      44.52915852     -31.31458982      62.20882480 
Tl      24.03706550      21.24443209      21.21307176     -61.09747702     -53.77575698     -73.65354153 
Tl      25.28793653      22.26882560      22.59854533      78.08999089      52.94259058      60.92924784 
Tl      21.07051321      23.77765332      21.08929577     -46.53453777      37.05960317     -56.56333686 
Tl      22.67150832      25.24047043      22.45160969     -25.19545266      30.99927964      17.45392752 
Tl      24.26830682      24.34914887      21.04841893      16.82655680     -18.48832165     -28.12300756 
Tl      25.77807070      25.40174071      22.72310602       8.89174373       5.12705092      -2.17001164 
Tl      21.00191438      20.97643289      24.22612181      -0.98845196      -0.11873504       0.52423679 
Tl      22.75401317      22.78345050      25.75367537      -6.97862269     -21.62006386      17.75991616 
Tl      23.79307289      20.89225489      24.01588025      -5.49566342      -6.88368308       6.36417045 
Tl      25.53031530      22.50030218      25.72774133       1.67788406      -1.05636576       0.64530311 
Tl      20.97813430      24.09665676      24.49243496      -9.05422390       2.17843520      -4.43432823 
Tl      23.00287467      25.25735380      25.64564170     -56.33181896      22.55690551      26.20384538 
Tl      23.98489614      23.84132959      23.99027577      -6.17219095     -34.53127698     -37.14426227 
Tl      25.19016175      25.31602903      25.16854090      79.29454636      36.16309286      24.78686877