32 Lattice="7.820277794821956 0.0 0.0 0.0 7.820277794821956 0.0 0.0 0.0 7.820277794821956" Properties=species:S:1:pos:R:3:forces:R:3 energy=-138.14766781565515 stress="-0.001715292263589334 0.002230380286385761 0.002141482717709505 0.002230380286385761 0.002272294378706901 -0.0004342917544421984 0.002141482717709505 -0.0004342917544421984 -0.011666898500721936" free_energy=-138.14766781565515 pbc="F F F" Ni 0.01613046 0.02306182 0.00039610 0.63156367 0.45290163 0.50770267 Ni 1.98757256 1.96510433 0.02456428 -0.72458778 0.25822004 0.36478342 Zr 1.93677145 0.00762245 1.95999848 -0.98717812 -2.50406340 -1.87416860 Zr 0.01255137 1.98907922 1.99290362 -1.36938053 1.11476908 -2.89162725 Zr 3.92445279 0.03405174 0.00625625 -0.45614317 -0.66024171 -2.11082062 Ni 5.83593926 1.96392725 0.03462021 0.06547320 0.59661132 0.09345524 Zr 5.90299670 0.01491708 1.92547157 2.05708466 -0.37326812 0.36832521 Zr 3.94451109 1.91906128 1.92759373 0.97963680 3.11153803 0.41895997 Ni 0.01227178 3.94456926 0.02040199 1.35796088 0.16205097 1.10483622 Ni 1.99594483 5.84240940 0.02901062 0.11722765 -0.77886189 0.95542847 Ni 1.98929512 3.93871493 1.97536979 -0.31558226 0.74992347 -0.37905524 Ni 0.03128934 5.86507088 1.95290027 0.94732326 -1.13158669 0.20089980 Zr 3.89114324 3.92040619 0.01480972 -0.97826226 0.09686087 -0.32647347 Zr 5.85735633 5.84511439 0.01384033 -0.06661700 -0.06009234 0.80940637 Ni 5.90235753 3.95656707 1.98928962 -0.60978274 -0.23197406 0.06626226 Ni 3.90004924 5.84241920 2.01013783 -0.10901286 -0.90495729 0.05234403 Zr 0.01461478 0.02771688 3.87557288 -2.27352252 -2.44111435 -0.24818306 Zr 1.98191697 1.95921289 3.94509383 2.13312375 2.88798711 0.82432698 Zr 1.94018166 0.01511350 5.88496271 1.11873541 -1.32876960 2.02826047 Zr 0.00458632 1.92451360 5.83513645 -1.37461022 1.02564385 2.31092321 Zr 3.90424670 0.00925110 3.87956616 0.92333417 -1.80074678 1.10728920 Ni 5.85199752 1.93286966 3.93737776 -0.45287136 0.85111849 0.45330113 Zr 5.80328001 0.02709512 5.88494367 -0.06797368 0.84986791 -0.04958918 Ni 3.91756271 1.94191563 5.86053144 0.33380006 0.61377244 -0.44390538 Zr 0.02621354 3.90967824 3.94894586 -0.63661971 1.94431441 -1.14691715 Ni 1.95135219 5.88607312 3.94248808 0.62795023 -0.91651539 -0.12100644 Ni 1.93683316 3.97808358 5.83522709 0.68075627 0.16882255 -0.35862766 Zr 0.03411852 5.87516143 5.87433116 0.75408604 0.03928943 0.00649193 Ni 3.96321050 3.87175250 3.90808628 0.00988590 0.51858203 0.27755557 Zr 5.84919258 5.84299341 3.94440941 -0.87901780 -0.94935052 -0.21212468 Ni 5.90132461 3.88418719 5.89256089 -0.95098615 -0.44441504 -0.91425568 Ni 3.94444364 5.86985290 5.87720239 -0.48579379 -0.91631647 -0.87379773