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=360.5361676015484 stress="-1260.673957193776 -384.58693681848035 -171.61450467664827 -384.58693681848035 -916.7697741815514 -537.2959742899181 -171.61450467664827 -537.2959742899181 -1301.197016843682" pbc="F F F" Cu 0.83275209 -0.17332283 -0.00606325 0.53945622 0.96834333 0.80767549 Cu 1.11525767 2.00117413 1.58737120 23.30297065 -23.50750520 -35.27664137 Cu 2.60231780 2.60640126 0.02776773 -33.49329521 -16.33140013 -31.57729844 Cu 3.66501309 3.11103865 1.01917747 31.16639596 17.64994858 28.23080192 Cu 2.15309958 0.42311431 2.55253863 -12.84595972 -12.03461892 -11.71156518 Zr 3.33347222 1.41749177 3.63101139 6.71013505 7.41271885 5.54318113 Zr 0.30607962 2.81430573 2.75949199 -40.92154337 5.57006586 3.28825013 Zr 1.04273725 3.67709151 4.12424955 -17.43358040 34.65640819 -33.67482364 Cu 4.66480710 0.20599004 0.04596392 -0.00606363 1.12585071 0.99123320 Cu 6.22986859 1.73981966 1.65944301 75.00556324 -17.40994729 -55.35394358 Zr 7.76899703 2.58677463 -0.06065098 -5.55533274 -5.84872316 -6.51626411 Cu 8.80161313 3.79189874 1.24139507 5.11684580 5.71075410 7.17720892 Zr 7.48338198 0.05114769 2.69479898 -34.93461462 -45.55936288 -14.71754300 Zr 8.49070894 1.24961785 3.13613474 37.59492246 43.40319668 14.48751712 Zr 5.05349892 2.01994484 2.46179051 -67.83505020 17.74789271 48.25238246 Cu 6.79219867 3.44533286 3.03588762 0.94102347 1.56315196 0.85069848 Cu 0.40282094 5.47637596 0.00541863 -62.83909812 -71.64039304 -149.22652955 Cu 0.85925478 5.99485621 1.09385507 55.91674915 57.63703232 149.51278241 Cu 2.17878167 7.00543989 0.52480603 8.13861844 2.12467716 -6.70846745 Zr 3.09866235 8.81349986 1.24329935 3.05146486 4.61969820 3.75487525 Zr 3.29611150 4.51427765 3.08783409 -0.45093162 1.60786848 -3.47202625 Cu 4.16603825 6.67942715 3.78275268 -21.19385882 -6.93438263 10.38801097 Zr -0.03075677 7.31522319 2.51745438 -2.78853074 3.86513423 4.98784642 Zr 1.27646854 8.73759641 4.19758804 -8.21058088 6.74641172 -8.35312272 Zr 4.97985056 5.62957996 0.27055295 -54.40300947 -43.07494082 -39.07720812 Cu 5.99455291 6.43271761 1.02868424 52.12298793 41.54927494 42.26328752 Cu 7.38094803 6.99168435 -0.27884156 2.60394005 1.04831267 -1.61421162 Zr 8.08707232 9.14508853 1.40357422 -0.71559203 -1.71148386 0.69421859 Cu 7.91945808 5.11876467 2.95661874 -132.30003313 -144.41848606 -62.59867740 Zr 8.71959328 6.00512234 3.33435622 132.53070522 147.16106812 62.39711375 Cu 5.56874946 7.24369491 3.06429285 -179.14511730 -190.29180098 -175.28559698 Zr 6.26809071 7.94177843 3.64835446 195.53943597 199.86366637 161.68872242 Cu 0.07442015 0.42565442 5.20465462 -10.69741049 -1.88683227 -8.22478131 Zr 1.68113249 0.77564792 6.33901493 -28.21437888 57.16551563 -35.13522597 Cu 1.97737523 2.66541214 4.67765409 50.45931490 -56.04911376 38.98852861 Zr 3.26067977 4.09495593 6.62914551 204.59666489 -100.29581985 -353.88606419 Zr 2.40551208 -0.28169922 7.16868085 37.98330212 -56.56825410 45.32883757 Cu 3.71756783 1.58721005 9.09836566 -8.19765968 -8.26974287 21.53952159 Zr 0.02015310 2.58497315 7.31978591 -1.74227070 -0.50660009 -0.67283237 Zr 1.50332627 4.38482447 8.45005796 -71.46358113 2.03705885 54.24955667 Zr 4.15490824 0.02787836 5.16566432 5.45535732 -7.70671587 5.72795071 Zr 6.26068003 1.47016603 6.26270000 -34.91128304 -8.53860608 9.98229599 Zr 7.36415287 2.20847981 5.15787876 17.85056045 10.00719228 -33.24434118 Cu 8.51018835 3.50623216 6.12211965 9.18358234 8.50998401 5.82794327 Zr 7.23330278 0.55126493 7.72332772 -8.69800874 -25.74611084 7.52544676 Zr 8.61589462 1.69349722 8.35814855 18.73801075 16.48193742 8.52664279 Zr 4.30806569 2.17899331 7.46712302 10.73374771 2.07340489 -17.67415213 Cu 6.75628577 4.40962433 8.78279260 -10.72398831 -5.10984014 11.70860247 Zr 0.35933324 4.91217446 4.92869982 -31.32018102 40.68479441 23.25191584 Cu 1.44337614 6.20710321 6.14929403 8.88667240 3.10484743 1.52545062 Cu 2.52392839 7.77907522 5.41251581 -83.42994890 -89.43262006 -89.73952096 Cu 3.29587726 8.46968342 6.21763330 93.93347880 83.39072355 97.74254095 Cu 2.71992581 4.36517946 7.54612431 -140.96576157 103.59424017 302.55990253 Cu 3.95895934 5.75280992 8.50299373 2.53996119 3.26118031 2.04546510 Zr -0.00184034 7.05705937 7.51918072 -4.98209206 2.36534318 3.74897409 Zr 1.82694611 8.56428582 8.52802969 1.36359359 -0.43869994 -0.67711820 Cu 4.73952033 4.66065033 5.00751005 4.32949415 -0.35669100 -3.80708269 Zr 6.04641320 5.91327764 6.60920210 -2.31103429 3.51477997 -1.92654804 Cu 7.77527694 7.65124986 5.25306836 -35.99860540 -40.04980332 -47.67591592 Zr 8.56443900 8.42670380 6.28229395 39.74980363 38.56372357 52.16857473 Cu 7.84505463 4.86506201 7.51990571 12.67904509 0.50728059 -11.06043190 Cu 8.39052473 6.45678183 8.56772421 0.34696351 3.28275785 1.35439625 Cu 4.88380918 8.05528199 8.06268262 -37.28672722 -15.92860989 -5.77818746 Zr 6.41747487 8.71753203 8.30409906 36.90435611 15.07086582 5.54776903