32
Lattice="55.835710525512695 0.0 0.0 0.0 55.835710525512695 0.0 0.0 0.0 55.835710525512695" Properties=species:S:1:pos:R:3:forces:R:3 energy=-43.50961512686391 stress="-0.0012003356066818784 -1.9533120467084697e-05 0.00013796146972566416 -1.9533120467084697e-05 -0.001358895087147144 6.967709161048283e-05 0.00013796146972566416 6.967709161048283e-05 -0.0012359021047577785" pbc="F F F"
Tl      27.92698902      28.15801853      27.83912028      -1.28122943     -10.21974969     -11.20832393 
Tl      30.00081091      29.85889524      28.05966025       5.12091961       2.59201181      -2.35146448 
Tl      30.07973331      27.92638179      29.99433341      -0.58300536      -1.28935882       1.52034455 
Tl      27.96057257      29.67795679      29.74164711      -2.08620718       0.89318906      23.19287370 
Tl      31.98766198      28.07815215      28.16622819       0.66982396      -4.85933775      -3.41043373 
Tl      33.82292064      29.95602211      27.88187344       2.64967908       2.70448128      -0.01019892 
Tl      34.04813492      27.91668445      29.98097674       2.74407463      -3.22851345      -4.34583934 
Tl      32.08523518      29.98860427      30.08213514      -3.49486793       3.10374626      -6.38178831 
Tl      27.98456503      31.55746180      28.16803462      -2.76273814      12.11431719      -8.99582651 
Tl      30.03707035      34.01888823      28.08547684      -6.07221686       2.52352498      -5.77975742 
Tl      29.96269869      32.11648142      29.97340712       4.22867199      -7.70625512       2.83161954 
Tl      27.97787718      33.73885517      30.05659814      -4.77416267       8.11051846      -4.33980574 
Tl      31.88129468      32.00694996      28.04916358      -0.12582452      -9.05495020      -6.94565369 
Tl      34.01312658      33.68076628      27.87672671       1.95451680       3.05001354      -4.00704327 
Tl      33.99593743      32.13929921      29.98994520       1.52854888      -6.45557001       3.01136680 
Tl      31.98232062      33.86411334      29.72912802       3.82431078       9.03927584      12.32227965 
Tl      28.27409213      27.96472269      31.99031180      -2.99503076     -12.76745616     -13.16376997 
Tl      30.08323509      30.08825294      32.02706111     -14.50637203     -15.04827180      -8.25249566 
Tl      30.06698115      28.15439296      33.86564277       0.21712487     -11.76797806       4.41477614 
Tl      28.02756031      29.71981794      33.63589787      -7.93818615      15.35096219      12.86761817 
Tl      32.15603851      28.05502241      31.85463203     -11.28596058      -9.44098078       2.61022674 
Tl      33.99850720      29.72669425      31.84480268      10.09486819      18.10930272      -3.63158405 
Tl      33.92253021      28.28963130      33.84874181       4.61228511      -9.17257769      10.93715044 
Tl      31.86289877      29.86375857      34.04392926       5.32355299       9.43176162       3.60727069 
Tl      28.04043525      31.94021828      31.86692831      -3.30151593      -4.80706683       3.56407989 
Tl      29.85159255      34.12769503      32.15502395       5.55234323       5.15353545     -10.02091698 
Tl      29.95655464      32.13296871      33.73846808       2.83412352     -10.79108780      10.12257252 
Tl      28.21242645      33.87948290      34.09417876     -11.02608951       5.89841057       5.99394716 
Tl      31.82792640      31.69141960      32.07196353      20.31007658      17.79832287      -5.57288779 
Tl      33.84392448      33.85378404      32.08507353       5.22315810       8.71512659     -13.34108215 
Tl      33.91113073      32.03182376      33.77391875       8.18157291     -15.65348032       7.12310204 
Tl      32.13813174      33.78026557      33.91419327     -12.83624418       7.67413403       7.63964394