64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=279.3802667113739 stress="-0.0019506757814634198 -0.0012263487357058748 -0.0002667797150622887 -0.0012263487357058748 -0.0020268073299182857 -0.0006147858903691301 -0.0002667797150622887 -0.0006147858903691301 -0.0016225104989681218" pbc="F F F" Cu 34.73188222 35.27403674 35.52776654 0.10281980 0.16447694 0.36423556 Cu 36.49351983 36.40608362 36.39809749 8.92680077 12.91191182 -51.80750304 Cu 37.39091123 38.22098479 35.08979644 -2.22010893 -0.23336282 -2.40781595 Cu 38.67338178 38.61382476 36.66591121 2.90555238 -0.11562295 2.74183372 Cu 36.84314967 35.56378353 37.59342182 12.84647563 -26.66723698 34.46549079 Cu 39.25323652 36.42268867 38.77252640 -21.20133045 -13.82588822 11.90446827 Cu 35.44741700 37.04850622 37.42862702 -25.52230495 1.05510978 6.76463227 Cu 35.85823974 38.34331847 38.50300726 5.28516819 11.99380976 10.26755894 Cu 40.31154354 35.06560484 35.53443786 -20.88921523 -41.20299369 -41.76600438 Cu 40.78175420 35.99605456 36.47747947 20.72403616 39.41233233 39.12554090 Cu 41.96080338 37.92340213 35.71681688 -0.21626920 0.41204724 0.67561113 Cu 44.03411508 38.90656280 36.03430094 -0.63605585 0.08907676 0.36079871 Cu 42.67344201 35.42792357 37.63914239 -31.18898196 -12.29891108 -35.59796352 Cu 43.61110765 35.80248891 38.71642670 31.21723901 12.39141596 35.85390970 Cu 40.35385639 37.22275503 37.96947790 -37.60977938 -147.90336618 -118.72551445 Cu 40.63919716 38.05692867 38.51662695 57.36371510 165.54908590 107.37300134 Cu 35.38055041 40.28474972 35.20618972 -6.58124029 -9.75613862 -3.27165415 Cu 36.35244402 41.66330320 35.71269018 -188.55836497 -122.65683970 120.82454552 Cu 37.06585705 42.14261118 35.28746889 196.90908583 132.31364272 -116.19414370 Cu 38.49494180 44.06459319 36.24386161 -0.47105073 -1.11074202 0.40089165 Cu 37.79120314 40.47285928 37.79299510 -20.42404307 -47.11147579 -23.96437841 Cu 38.26329237 41.68295825 38.37595539 11.54516697 39.91151091 9.85479056 Cu 34.90519745 42.40915350 37.12862367 0.13282024 0.12958997 0.48707745 Cu 36.67371640 43.99118236 38.17094569 -0.48935012 0.26734210 -1.76095272 Cu 40.48988865 39.76751737 35.07700187 -0.04138882 -0.01095845 0.83852691 Cu 41.02581561 42.10296924 35.99436377 -3.32086978 -13.56200491 5.76602134 Cu 41.94110184 43.05278349 34.96284908 12.74566552 13.09642480 -13.69647009 Cu 43.84440314 43.63611193 36.25721955 -1.02022864 -0.18072048 0.25928164 Cu 42.24627711 40.03299517 37.80698207 -8.21185609 -5.50260663 -8.91208553 Cu 43.36649495 40.77464729 39.03205250 8.30685282 3.96828762 7.97040573 Cu 39.71631850 42.16507520 37.24817989 -3.18294270 2.64983395 4.12211027 Cu 41.72584325 44.07945045 38.23590118 0.36969558 -1.23982066 -0.27003570 Cu 34.50097913 35.72249267 40.52678892 -55.57666692 -28.55664745 -10.36509344 Cu 35.73354854 36.35885588 40.75541970 55.12861119 28.64944740 10.45458253 Cu 37.80303091 37.37466201 40.66759073 -5.91110366 -11.51735780 -4.51729321 Cu 38.66973836 38.82666643 41.24921869 7.79645349 11.62743183 4.18495766 Cu 37.27507823 35.50369428 43.01441395 -0.54038445 0.27209190 -0.74065187 Cu 39.22459326 36.47051569 43.47666350 -47.79250197 -51.12952040 69.47960564 Cu 34.67790915 37.74807682 42.99114670 -8.20614555 -14.21845327 -1.97644151 Cu 35.58364769 39.24327531 43.16020671 2.03415588 10.31670337 5.38425747 Cu 40.06715157 35.39207830 40.41824379 -104.64204618 -62.15355366 -71.57734781 Cu 40.92442730 35.89265087 41.01668972 106.26699499 61.71709827 73.29408445 Cu 43.06893722 37.54592006 40.29837566 -7.79253720 -8.89859551 -5.18450266 Cu 44.06636876 38.84130455 41.08686278 6.94201646 9.15243132 5.64362758 Cu 42.76875685 35.25643462 42.68300708 0.09329353 1.64317198 0.03109183 Cu 44.11825948 37.06095283 43.81504316 -1.27522940 -0.53830637 -1.16740821 Cu 39.84442878 37.12864027 42.58462416 47.79793266 51.19485103 -70.02252810 Cu 41.39488225 38.68882874 43.39088706 -1.56990844 -1.64661013 1.00232697 Cu 34.95545990 39.95735571 39.68117826 0.02220354 1.19331511 1.10355682 Cu 36.40106413 41.37781784 41.66374457 19.13712901 11.23029281 -29.81037474 Cu 37.77459914 42.76664679 39.60644108 -4.49662515 9.71903613 13.58720509 Cu 38.62134720 43.74255800 41.54948237 -1.98051130 2.48561852 -0.77141390 Cu 37.01453308 40.10905276 42.27413024 19.61310518 -27.07529345 9.59719666 Cu 38.41264539 41.20139466 43.54979683 -0.82268275 -0.43176632 2.07634625 Cu 35.18036215 42.08229756 42.20808496 -33.72488646 18.06713545 13.84642568 Cu 35.73691980 43.46656268 43.76719335 0.61914652 0.62176864 0.78065714 Cu 39.49308635 40.59241116 39.26963935 7.13010535 -5.56009462 5.26433454 Cu 40.77014757 40.92347111 41.49187665 4.95091941 -7.29929762 -4.17639039 Cu 42.39777755 42.44133351 40.19856656 -7.22588090 -3.30642718 -0.68696195 Cu 43.92061572 43.56667478 40.47334217 5.92178802 4.45066284 0.91988961 Cu 42.77949477 39.95278242 42.64954424 -175.23620473 -181.41073619 -174.17231740 Cu 43.30263857 40.49507661 43.16050633 176.63541239 183.19153842 172.49442129 Cu 39.82820270 42.28651682 42.38451457 0.00840761 6.30013017 4.86746923 Cu 41.70833333 43.88528248 43.63581713 -0.90007303 -1.02727461 -0.88952204