864 Lattice="15.358359181161754 0.0 0.0 15.358359181161754 18.810071640117783 0.0 0.0 0.0 70.93722246043758" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3010.9986806984775 stress="0.0009913169167118287 -8.854013243041074e-07 -2.0500378579645552e-06 -8.854013243041074e-07 0.0005174646203807343 1.750125226306994e-06 -2.0500378579645552e-06 1.750125226306994e-06 1.1834963646232868e-07" free_energy=-3010.9986806984775 pbc="T T F" Cu 0.00144304 -0.01741727 17.86149333 -0.00000631 0.00000620 -0.00000012 Cu 3.84103180 2.04218282 18.54107843 -0.00000644 0.00000575 -0.00000003 Cu 2.56116952 -0.01741678 17.86149296 -0.00000657 0.00000592 0.00000064 Cu 6.40075822 2.04218336 18.54107793 -0.00000640 0.00000564 0.00000039 Cu 17.91952627 16.72774221 19.23211976 -0.00000666 0.00000625 0.00000061 Cu 6.40075440 0.01233398 19.98143482 -0.00000611 0.00000520 0.00000106 Cu 20.47925269 16.72774288 19.23211962 -0.00000670 0.00000544 0.00000069 Cu 8.96048103 0.01233394 19.98143499 -0.00000636 0.00000561 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Cu 19.19918713 14.63146548 36.21131268 0.00000043 -0.00000026 -0.00000032 Cu 17.91933592 12.54145136 35.47296414 0.00000007 -0.00000017 -0.00000007 Cu 21.75891363 14.63146534 36.21131251 0.00000027 -0.00000022 -0.00000036 Cu 17.91931120 10.45145261 36.94944128 0.00000100 -0.00000026 -0.00000002 Cu 21.75888894 12.54150954 37.68991719 0.00000177 -0.00000049 -0.00000015 Cu 20.47903752 10.45145246 36.94944121 0.00000137 -0.00000036 -0.00000018 Cu 24.31861537 12.54150967 37.68991674 0.00000159 -0.00000052 0.00000034 Cu 20.47901354 8.36147154 38.42820463 0.00000222 -0.00000108 0.00000013 Cu 8.96023229 10.45150821 39.16571776 0.00000274 -0.00000151 0.00000024 Cu 7.68038082 8.36147161 38.42820459 0.00000235 -0.00000095 -0.00000000 Cu 11.51995890 10.45150836 39.16571768 0.00000279 -0.00000175 0.00000023 Cu 7.68035837 6.27152288 39.90730249 0.00000316 -0.00000180 0.00000009 Cu 11.51993689 8.36153150 40.64507075 0.00000351 -0.00000209 0.00000005 Cu 10.24008512 6.27152306 39.90730265 0.00000278 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