32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=108.94913508420197 stress="-856.2314128797032 -51.459929215462154 5.458851382775194 -51.459929215462154 -848.4973435867706 -96.26718400270062 5.458851382775194 -96.26718400270062 -887.803933267869" pbc="F F F" Zr 0.07166715 -0.07411238 -0.28776729 -14.58815191 -10.28660003 -13.21404706 Cu 1.67379638 1.40411058 -0.04257843 1.17164390 16.10888530 -45.74272478 Zr 1.37252202 0.03320948 1.54694237 -12.25993580 -75.44418975 -15.35840522 Zr 0.20040666 1.55646809 1.53502127 -71.73158009 14.64571585 -42.49695546 Cu 3.16980798 -0.03572385 0.02184289 -4.05474328 -8.65281265 -15.18786211 Zr 4.65019543 1.93090701 0.14618898 26.34211319 -22.01506781 -35.41029111 Zr 4.73454065 0.03480345 1.53310309 15.51605888 -16.92887009 2.98401941 Cu 2.81305510 1.34472026 1.24631906 34.66489610 14.58415853 15.39373954 Zr -0.00071710 3.23956773 -0.27442627 -17.73929302 -24.52352864 -23.57004888 Zr 1.40977949 4.64408857 -0.02462475 19.08514488 30.77641867 -21.87179663 Cu 1.70902946 2.79590009 1.66265408 26.23056008 26.78218109 -13.69690389 Zr -0.04125212 4.54052745 1.23417086 -33.16712249 20.14402851 12.44857541 Cu 2.94170993 3.18168807 0.21840200 -22.12419459 -9.85135512 -8.54765532 Zr 4.53839703 4.45376057 -0.27659693 16.70279194 17.22872305 -10.75779935 Zr 4.61951579 3.04959303 1.63443557 41.22568559 -4.78575434 -14.71147862 Cu 3.06717778 4.44125040 1.72475079 -39.48009673 18.43875046 -34.49363231 Zr -0.22072001 0.27544140 2.75162633 -35.66078379 -35.26704852 28.01121028 Cu 1.58670920 1.55210001 2.96864501 28.95971448 2.50074959 49.43735987 Cu 1.54539277 -0.14836522 4.51905709 -0.05341394 -2.83372980 2.90456399 Zr -0.09174500 1.67858111 4.58352372 -6.92036068 -8.47600738 23.92414599 Cu 2.84376228 -0.23179438 2.95203735 15.78189744 -7.97218324 16.46867865 Zr 4.76111147 1.72232616 2.97927008 37.09988484 -52.80370263 -38.77953310 Cu 4.22147108 0.19736496 4.32128623 9.32196687 -29.29570681 8.70123428 Cu 3.13856038 1.49965461 4.77820060 -13.50111943 12.88116322 10.43249027 Zr -0.21141253 3.17621204 3.13215382 -34.82096781 -27.89951994 -23.82745424 Zr 1.21035018 4.53922890 2.87689326 31.77167058 38.50432259 -12.79123791 Cu 1.61719846 3.27680686 4.59967038 -13.93857274 -23.22404433 14.14202026 Cu -0.00359526 4.56224969 4.34915582 -20.85788995 33.89956480 57.32083318 Cu 2.98058377 2.76986142 3.13236414 -16.36677301 13.07082721 10.74467714 Cu 4.23944939 4.51619234 2.80772007 33.97931685 33.68972274 49.44149577 Cu 4.66450169 2.73395044 4.21647147 0.96446635 43.59377903 56.61926389 Zr 3.07493195 4.63169046 4.73295849 18.44718730 23.41113046 11.48351806