32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=384.6811363506259 stress="-0.02390090573267988 -4.816815257911906e-05 -0.00022002463249173122 -4.816815257911906e-05 -0.023925689383871053 0.00030462774320474815 -0.00022002463249173122 0.00030462774320474815 -0.024201386454571924" free_energy=384.6811363506259 pbc="F F F" Zr 21.00910691 20.85287712 20.98481612 -24.64866170 -22.57571244 -29.71887593 Zr 22.57793106 22.57400254 20.91613300 -10.88071204 -13.66714982 -71.37829620 Zr 22.29930145 21.06018015 22.47815624 15.87471692 -70.96356465 -23.30244769 Zr 21.12421959 22.57216330 22.38011746 -74.47740273 -11.40632642 -13.90543055 Zr 24.18893709 21.12955945 21.09509663 -13.62154593 -50.36968251 -45.92648294 Zr 25.59938857 22.43349699 21.06625128 47.05949386 8.39233470 -47.05498484 Zr 25.55015576 21.02721290 22.47275758 46.02912271 -53.73040802 -4.45859149 Zr 23.89005856 22.56786064 22.52895765 26.45402927 -24.43841639 -23.43464143 Zr 20.86693748 23.94071402 21.03301694 -38.69019877 17.43166253 -40.99671551 Zr 22.50346678 25.58250876 21.11290039 -11.23465200 42.93202766 -42.26185240 Zr 22.57161281 24.09441578 22.49977937 -19.44721184 28.01262578 -26.97279015 Zr 21.02156983 25.47416092 22.76946993 -47.56696166 45.33940399 -12.82288209 Zr 23.98333621 24.06203784 20.95147669 17.23600129 13.83592638 -63.50983565 Zr 25.55169427 25.62379583 21.05509151 21.16857444 21.39731933 -18.58754601 Zr 25.46259098 23.87331761 22.49351244 63.86290967 16.57286808 -11.06563764 Zr 23.97428943 25.59421548 22.67776921 19.03544547 65.19172547 -18.23638197 Zr 21.14584904 20.98431501 23.88904405 -56.97739584 -43.38586107 14.91049614 Zr 22.51925543 22.57491495 23.87397694 -17.41073421 -24.04005317 40.28702377 Zr 22.35626618 20.89373925 25.44738373 -1.13877006 -35.67583859 41.90517116 Zr 20.93996902 22.64047848 25.41232294 -39.42762524 -12.20449744 45.66533880 Zr 24.01100679 20.93837987 23.89360717 -1.36496956 -67.41286193 4.19099219 Zr 25.64230356 22.25803446 23.88386225 58.93981742 7.51346110 20.53468962 Zr 25.38857843 20.87007445 25.46599447 24.59731762 -26.97489078 30.34949604 Zr 23.91371559 22.39773141 25.35470310 8.73910299 -7.73414257 64.92635232 Zr 21.05946971 23.86478469 23.91942760 -68.62987940 14.19295595 10.77831358 Zr 22.58094959 25.61505022 24.07048585 -9.57766901 63.95136521 5.35597134 Zr 22.53867494 24.12313232 25.58914474 -2.99169044 -10.64687833 63.68870469 Zr 21.10591445 25.39650912 25.36620992 -42.59244321 33.29726358 30.95605878 Zr 24.03627689 24.00564616 24.00629391 24.20136183 12.36002944 24.90186790 Zr 25.58455669 25.40227050 23.98183228 47.29807262 42.48678664 5.09741966 Zr 25.47794369 23.92599352 25.42340938 41.63968046 -2.41493795 44.73436155 Zr 23.93447049 25.52368566 25.51619392 18.54287707 44.73346623 45.35113494