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=100.51238589322202 stress="-664.6815208836496 -190.3241064686722 -91.01376565695045 -190.3241064686722 -677.4082176698506 -139.8314114907007 -91.01376565695045 -139.8314114907007 -692.519087566296" pbc="F F F" Cu 0.65814007 -0.16135986 -0.33244268 0.69889817 0.75110581 1.07653351 Cu 1.85011042 1.70306259 1.07137268 -12.22745392 0.14669530 -5.56981369 Cu 2.99837319 2.87149671 0.52346405 4.21174537 -1.01919288 -14.17705991 Cu 3.71836453 4.10886605 1.48166904 36.13907035 -4.51961318 -14.34715322 Zr 1.98728194 0.33919915 2.36722762 0.82813160 -11.09820159 10.10265017 Zr 4.13893521 1.35226236 4.60178954 -3.37621421 -0.16525691 -0.74076680 Cu -0.23866590 1.95927396 2.77554227 0.37047720 -0.33330680 -0.19315982 Cu 1.01917747 3.36000243 4.13138661 -34.67640271 -4.58596899 -2.58984386 Cu 4.97936544 -0.36007817 -0.29183557 0.32258954 0.78201790 0.78495736 Cu 6.66977752 2.03948008 1.41432418 -13.38084904 7.35201064 13.48300439 Cu 7.59387988 1.91480862 0.03450204 10.89412204 -2.02287704 -17.41591544 Zr 8.87673691 3.26394255 1.81470028 2.36014237 -2.20786891 -1.07739074 Cu 7.10895567 0.36961830 2.22117080 1.40605567 -5.99658790 2.97705468 Zr 8.83611244 1.78854814 4.19397089 10.89142394 -10.92102666 -15.46251020 Zr 4.83193849 2.87229896 2.91557061 -24.47100721 -24.04952906 -27.94839710 Zr 5.82623522 3.67472124 3.80114769 35.32290211 16.45239122 16.75010395 Cu -0.19282908 4.80263793 0.28436335 -7.99811177 -12.31291784 -0.51004958 Cu 0.77370464 6.25021490 0.38019408 3.14172445 7.20639377 3.30272288 Cu 2.06015253 7.52334533 -0.16258032 5.30320589 5.08865345 -1.70151074 Cu 3.10705734 8.76567808 2.04834712 25.04464344 2.46761489 -29.78521341 Zr 2.50592154 4.79501545 2.29814022 -33.46836969 21.44399661 17.33762975 Cu 3.98360583 6.33041964 3.69645137 -72.40555731 -72.64075670 82.75034173 Zr -0.28037117 7.40478082 2.42045916 0.39185649 -0.55984130 -0.14570685 Zr 2.03621728 8.67453845 3.28652555 -31.83169064 3.91436955 11.39216732 Zr 5.28227015 5.38456266 0.02153045 -19.21759522 -15.17830615 -40.62906429 Cu 5.89286596 5.85421160 1.42116535 13.73923375 11.14184597 38.63122518 Zr 7.09056160 7.07055663 -0.09275930 3.78447033 3.84554459 -1.59380450 Cu 8.84164587 8.70387351 1.82962420 -0.64169732 -0.87733388 0.16509947 Zr 7.82452198 5.35127816 2.35734773 -19.13197604 -26.76663452 -13.85316596 Cu 8.70051626 6.55016577 3.04362448 21.11499742 29.75544041 16.68327232 Zr 4.67605562 7.03916316 2.89804483 71.11731559 74.03242987 -80.89122121 Zr 6.00694966 9.08430377 3.91386749 0.15104605 -0.04394332 0.41728764 Cu 0.25452791 0.42961520 5.24631327 -1.73374440 -1.03926950 -3.78973324 Cu 1.03305537 1.36837616 6.89606289 -4.63689675 24.20959253 1.32265529 Zr 2.67924184 3.35726798 4.14696617 32.48426411 -0.39732235 4.65050419 Zr 4.28039821 3.56180982 6.69138345 -30.67477452 43.71416470 -51.48778089 Cu 1.84389934 0.18413975 6.89649799 28.00691172 -39.62431611 0.48107308 Zr 3.82328590 1.53215189 8.41809079 -13.97052466 -17.13050853 11.46508509 Cu -0.17917200 2.38809520 6.97488536 -20.62446780 17.65537394 0.92801615 Zr 1.21350480 3.65551208 8.96440045 -5.11408690 -4.31501083 4.84679543 Zr 5.08432156 -0.18657793 5.86169726 -6.09728869 -12.44868646 -0.10462774 Cu 6.54921322 0.89981165 6.55756759 -0.40921917 10.03546131 -2.95766372 Zr 7.57426747 2.46454509 5.49568208 -73.15736439 -39.35930621 -14.70881704 Zr 8.58895030 3.21352697 5.86394057 64.39747853 52.88192221 29.14398762 Zr 7.58709541 0.01068003 7.91385362 -13.67213891 -25.99088915 -1.43765002 Zr 8.76270000 1.11415287 8.53704872 20.92383490 19.91924642 11.11052641 Zr 4.85406774 2.74411463 7.57998171 37.06968377 -37.98711525 22.20870664 Cu 5.65669824 3.25404983 9.07671726 10.49001689 6.80026466 18.24716415 Zr 0.49169263 5.08517944 5.21081200 -91.54546267 -123.84315205 -91.25806058 Cu 1.07467618 5.90775423 5.80674320 105.17088333 74.59764969 15.00529721 Cu 2.59914395 8.12323166 4.92206614 -10.93297609 -18.69826671 4.50983195 Cu 3.70367551 8.89280561 5.81248592 17.48099437 11.64607627 13.76419053 Zr 2.55094993 4.76041789 7.68118041 2.16633324 5.00268038 -2.93594446 Zr 4.02932594 6.74312168 8.88890747 -1.90413260 -0.13831338 3.44356723 Zr 0.84547406 6.67183265 6.92874843 -15.82872495 54.89240130 77.49492603 Zr 1.22325102 8.58770166 8.59512101 0.48910585 0.16479058 0.17206585 Cu 4.98822364 4.87225091 5.03748917 -17.05486464 -2.39100756 -7.18513069 Zr 6.00299373 5.81037196 6.16245106 -4.21877128 14.16925450 -8.68442495 Cu 7.62714068 7.63809449 5.44891239 -7.37907591 -9.19209179 -9.68665069 Zr 8.55947308 8.79425310 6.61107024 7.24877638 9.08624356 9.65100862 Cu 7.25455683 5.14457293 7.12775954 20.02785236 -11.75053221 15.84342338 Cu 8.75020237 6.10101693 8.41419677 0.36240947 0.69047760 0.17558850 Cu 5.30918270 7.29395807 7.21222190 -1.70786226 10.28185744 2.98639964 Zr 6.25445860 9.09505463 8.61506201 -0.06329503 -0.52301535 -0.43663200