16 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:Z:I:1:forces:R:3 energy=37.42673604812482 pbc="F F F" Tl 0.32770196 -0.07119863 -0.17748890 81 0.09407739 0.91241016 0.67743777 Tl 1.67683275 1.53077888 1.88574456 81 -43.07544487 79.87767353 -88.13642831 Tl 3.12680775 0.17886136 0.24939942 81 -15.19985437 -27.96579240 -17.89701761 Tl 4.45764446 1.79316524 1.24548264 81 63.21585931 -7.65284874 49.02679191 Tl 0.25312691 3.30668327 0.19665065 81 -8.39847334 -8.13085710 -9.28051200 Tl 1.55278737 4.68219864 1.74554139 81 15.45172604 18.27836471 0.19912068 Tl 2.96166030 2.83996775 -0.00611813 81 -41.89766261 32.98927626 -38.74896673 Tl 4.65920060 4.69818750 1.02964041 81 0.02942820 0.51724932 1.83966894 Tl 0.30597550 -0.07438175 2.78246470 81 -24.76572284 -26.02655059 14.18801234 Tl 1.73844060 1.80019306 4.47644943 81 -17.49429842 -22.81025405 37.30962628 Tl 2.95355469 0.27311124 3.02313664 81 77.97186375 -79.72837004 53.85120597 Tl 4.76722750 1.79456102 4.31719040 81 20.00705478 -14.87723946 13.48845423 Tl 0.23459465 3.06808759 2.99764003 81 -46.11163847 -12.15333962 -18.85177525 Tl 1.24907900 4.26581471 4.65703673 81 14.85474441 30.44560906 30.92970283 Tl 3.18081575 3.12405073 3.23288132 81 -10.13307737 18.39611620 -39.36507608 Tl 4.58677657 4.71284640 4.23061470 81 15.45141841 17.92855277 10.76975502