64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2514774.2853129907 stress="-8615071.869854992 570636.2194751222 -4346867.536627486 570636.2194751222 -4651330.306592276 -2550604.126599979 -4346867.536627486 -2550604.126599979 -16996312.676590912" pbc="F F F" Nd -0.13092646 -0.24696833 -0.26206249 -1293.07893465 -558.82964506 -1308.50629819 Nd 1.49626534 0.43274321 1.36586287 -245256.48427926 90625.83026039 -178283.91750141 Nd 2.44198849 3.25016663 0.68955886 -260258.83511827 -18920.45047616 -134587.07049405 Nd 3.89858125 3.33672448 1.42639758 250258.75417970 36814.19700786 111509.79119058 Nd 2.75577829 -0.02990772 2.28115271 242717.50626473 -96087.25046043 167532.11475798 Nd 3.37030471 0.74469566 4.09787673 8404.42987576 -14493.12683764 9483.64679371 Nd -0.14022763 2.39534418 1.67478676 -449.41117674 -2510.00995320 1748.17389351 Nd 1.23718811 3.93555638 4.03285179 11048.12675631 -10541.73862878 -19238.40244342 Nd 4.81773068 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1.96893326 1325077.08899036 -1234140.11576595 1042773.21748125 Nd 3.60461043 5.63930447 3.76990676 881.88829723 -1890.39414112 175.16644603 Nd -0.20486144 7.84292909 2.95705620 -750992.84392504 -432803.62356509 -381730.90433159 Nd 0.97951028 8.52571923 3.55922517 750542.65590869 433271.13483859 381394.39415934 Nd 5.12752237 4.97061019 0.11295447 -77426.94473248 -75320.06040972 -60515.53482794 Nd 6.22628159 6.04143120 0.94623833 -359026.03637662 209942.08925756 -430579.06191720 Nd 7.58359354 8.05249616 0.19649293 -5078.57630975 577.02808180 -8061.37015108 Nd 8.82833524 8.10372710 1.91776809 5799.75234321 1260.02950953 7081.50639909 Nd 7.35747171 5.65895753 1.90994175 472726.40448888 -160827.71036127 405388.48238519 Nd 8.68830845 6.04376403 3.34292810 15141.08314645 2930.39817349 15729.89775863 Nd 5.18750418 6.63866295 2.26464714 -62851.38078103 19904.77413095 61835.26236633 Nd 6.07502955 8.15895667 3.27842569 7164.91757943 13065.09998762 8347.31237440 Nd 0.09984572 0.14298838 4.90291218 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7.63795339 -1064.03907326 -4681.48293481 2021.00230527 Nd 8.57355316 0.95627087 8.44859715 2039.02766276 1078.72416100 858.20888700 Nd 4.60208944 2.54685324 7.93172297 344837.46564345 634755.27302587 -633726.42556009 Nd 6.48144549 3.59507725 8.95756351 769.30736803 571.44484364 1945.40277619 Nd -0.06383357 5.10743626 4.86828401 -406114.20482015 -134077.04643691 -230597.93345951 Nd 1.19630718 5.60800680 5.66699100 375371.57964283 143215.34714841 249267.57082191 Nd 2.47473416 7.12480909 5.15996500 -5047.50219044 257.28571294 -16769.37665670 Nd 3.60754058 8.17417461 6.39951629 -115142.18984593 57977.78685630 -48691.84324059 Nd 2.74025397 4.91685253 7.80412687 -1983.92295039 -2645.76866437 -2678.60261898 Nd 3.92284319 6.46456261 8.82439036 2274.90906831 3011.90746792 4448.99351782 Nd -0.24374464 7.43958780 6.94344747 -311.06486004 361.87164093 262.50488770 Nd 1.94586275 8.62830106 8.97215781 -92.75140097 111.27380365 74.37609105 Nd 5.33810126 4.92277025 5.54580995 148361.21220467 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