108 Lattice="11.39454211156072 0.0 0.0 0.0 11.39454211156072 0.0 0.0 0.0 11.39454211156072" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.26181454672303 stress="-0.0006835292533460884 0.0008114291702316416 -0.0008582445160694475 0.0008114291702316416 -0.0008587433530271251 0.000321566759180909 -0.0008582445160694475 0.000321566759180909 0.0005253506594420671" free_energy=-470.26181454672303 pbc="F F F" V 0.02907412 0.01606730 0.00345952 0.75514014 0.63685140 0.81825203 V 1.91556824 1.91881649 0.02077922 -0.22262595 -0.18855545 -0.39081102 V 1.92266070 0.03479855 1.94049808 -0.23197913 -0.44529081 -0.37151424 V 0.01438514 1.89392096 1.92735736 -0.34246359 0.05462874 -0.27176156 V 3.80629667 0.01869689 0.01373359 -0.02609050 0.11664292 0.26117870 V 5.68043416 1.88887335 0.03684672 0.08290887 0.05242202 -0.51557602 V 5.73608802 0.01088528 1.90618630 -0.15450026 -0.57631769 0.01644700 V 3.80148768 1.88009687 1.87682881 0.10826876 0.19776741 0.18665275 V 7.57246229 0.00532499 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7.60879655 0.03188830 7.57167983 0.16615037 -0.41759289 0.14955249 V 9.50991902 1.86529885 7.57716800 0.26271103 0.15469887 0.13256495 V 9.49819823 0.02812901 9.50800999 -0.62794705 0.50452021 -0.63612539 V 7.61120889 1.87935542 9.48435425 0.25608237 0.17732351 0.39851988 V 0.00426268 3.77329383 7.60281217 -0.41811275 0.13922047 -0.21293311 V 1.85233412 5.72997655 7.61000658 0.17930818 -0.16712539 -0.11425412 V 1.85715024 3.81046249 9.48880649 0.29341532 -0.22722622 0.43147992 V 0.00201291 5.66373583 9.48133072 0.15525896 0.20540079 -0.22697786 V 3.76233915 3.77117990 7.60394621 0.16282405 0.21012356 0.09238684 V 5.73462147 5.71158630 7.55922567 -0.31642644 -0.19607830 0.47734968 V 5.71075314 3.76397741 9.49913201 -0.04977664 0.22387587 0.14268321 V 3.76986690 5.67197060 9.45784118 0.54821017 0.07606507 0.38024575 V 7.60405399 3.77375587 7.58302878 0.22847944 0.14223234 0.28954815 V 9.48817206 5.70340768 7.56885448 0.30797926 0.10559028 0.41445468 V 9.53077588 3.81472031 9.45789403 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