32 Lattice="63.98874893188482 0.0 0.0 0.0 63.98874893188482 0.0 0.0 0.0 63.98874893188482" Properties=species:S:1:pos:R:3:forces:R:3 energy=-158.03259582860878 stress="7.815921140464524e-05 6.612861185718898e-06 -1.2955158041942447e-05 6.612861185718898e-06 7.404393212263699e-05 -1.516063835261338e-05 -1.2955158041942447e-05 -1.516063835261338e-05 7.845563915899379e-05" pbc="F F F" Zr 31.87387871 32.08700346 32.08641542 1.02794511 0.59999842 0.64751403 Zr 34.45435501 34.12254901 31.85965377 -0.64575533 0.52808261 1.01733945 Zr 34.13134338 31.85695593 34.39669873 0.10182706 0.53292600 -0.52290105 Zr 31.80948098 34.31700210 34.13664069 1.14184369 0.14046434 0.33937088 Zr 36.46232777 31.96016463 32.16320272 0.07929138 0.41100982 0.52629703 Zr 38.90451293 34.03690312 31.88229289 -1.09213987 0.39429218 1.02959114 Zr 38.44308076 32.18001683 34.43455673 1.21480472 -1.63174897 -2.33449973 Zr 36.71802281 34.44286960 34.40206200 -2.18993875 -1.15508677 -1.28671130 Zr 32.21903617 36.71188467 31.87272845 0.14724061 -0.76798491 0.12866759 Zr 34.45465643 38.81349990 32.04340592 -0.35683469 0.14204392 -0.19121202 Zr 34.31175623 36.52978821 34.00811920 -0.87813070 -0.83877907 1.48540222 Zr 31.95928560 38.75719253 34.08836695 0.90519917 -0.33950596 0.34273940 Zr 36.72482121 36.71412871 32.23721506 -0.28495410 -1.12016842 -2.19365052 Zr 38.94577318 38.87742503 32.11858021 -0.86028045 -0.73077417 1.01512236 Zr 38.66773873 36.40489744 34.25138691 2.42712257 1.17255909 0.43585053 Zr 36.40331626 38.70162517 34.29103358 1.07303119 1.21902614 0.79093029 Zr 31.87103034 31.97410398 36.61774878 0.66396088 0.89562785 -0.42362083 Zr 34.47652250 34.09507741 36.37118605 -1.16147359 0.70473203 0.90510741 Zr 34.14741042 31.86221363 38.69754633 0.31689472 0.78116459 -0.64469680 Zr 31.92759442 34.06632482 38.92592774 1.14958685 0.53648991 -1.09687784 Zr 36.79183241 31.93921885 36.67444038 -1.56226732 0.16384525 1.44141814 Zr 38.96755232 34.05129120 36.38587217 0.33079283 1.82500452 2.15489111 Zr 39.00335949 32.16344716 38.91983961 -0.99410704 0.86303194 -0.81012916 Zr 36.27934991 34.28506183 39.03443261 0.49843353 0.12887890 -1.07227141 Zr 31.97618432 36.71658545 36.41652854 0.88327476 -0.54512915 0.20130618 Zr 34.45651404 38.78768997 36.67325493 -1.15918799 0.12843561 -1.04331686 Zr 34.09819068 36.80065103 38.88700711 -0.00209103 -3.02419993 -0.23379010 Zr 32.10573162 38.70616970 38.90893210 -0.52831398 0.55528072 -0.70092251 Zr 36.60543667 36.61061188 36.49467496 -0.15043994 -0.96633189 0.55162536 Zr 38.96415864 38.77097880 36.39601080 -1.00159100 -0.66801404 -0.26678986 Zr 38.84980526 36.65701503 38.65644194 -0.32526934 -0.95772047 -0.65731933 Zr 36.42777809 38.38774180 38.83945164 1.23152606 1.02254992 0.46553621