32 Lattice="6.16733846930134 0.0 0.0 0.0 6.16733846930134 0.0 0.0 0.0 6.16733846930134" Properties=species:S:1:pos:R:3:forces:R:3 energy=-68.28540693988215 stress="-0.007817063841573468 0.009154516506336814 -0.002804958954646078 0.009154516506336814 -0.0016729101148536395 0.00609328104790407 -0.002804958954646078 0.00609328104790407 -0.0036724975826281747" free_energy=-68.28540693988215 pbc="F F F" H 0.03063296 0.00547209 0.00691524 0.08469002 0.13387336 0.36378032 H 1.56356199 1.53442690 0.01130603 0.31424229 -0.28018460 0.19169691 Ni 1.53419742 0.02701892 1.53714569 -0.74096997 -1.71452561 -0.76162183 Ni 0.02307840 1.51963794 1.53312739 0.60449929 2.82753326 -0.75096756 Ni 3.09551638 0.00666024 0.01144408 0.61641826 0.13955541 -0.59773261 H 4.60790688 1.50892852 0.04160549 -0.21773045 0.07963852 0.02955388 H 4.58666167 0.02877981 1.52350585 -0.23710297 -0.14260793 -0.01149828 Ni 3.07931195 1.56573898 1.55906630 -0.74185860 1.49101640 1.38942439 H 0.01807237 3.08809393 0.04648564 -0.13981964 0.24559357 0.14107980 Ni 1.53084533 4.62700243 0.02362947 -0.50206580 0.24691336 -0.97879573 H 1.50509420 3.09257048 1.54254599 0.06290518 0.31557728 -0.47187642 Ni 0.01100754 4.60251183 1.51964923 0.61410964 -1.26541930 1.44461863 Ni 3.06687916 3.07999903 0.01676074 -1.09762319 -1.99047245 -2.40398762 Ni 4.62161419 4.64720681 0.01860261 1.02091801 1.24964406 -0.88566765 Ni 4.65405409 3.05912972 1.56477712 2.15831268 -1.43935074 0.93580616 Ni 3.08129319 4.62330033 1.55939030 -2.45005426 1.06576758 2.39081542 Ni 0.01909575 0.04704200 3.08659744 -0.57421942 -0.32275895 1.19304210 H 1.49796293 1.51546548 3.07900746 -0.04478748 -0.68633690 -0.11707267 Ni 1.54472771 0.02561378 4.62361911 0.04262952 1.07817574 0.38112594 H 0.00336800 1.51477427 4.61700551 0.13698060 -0.20482821 0.12265036 Ni 3.07366770 0.03935991 3.09244854 1.62074454 -0.22246557 1.33102045 H 4.63945109 1.49691696 3.09795817 0.04454878 -0.09425120 -0.17840478 H 4.60369989 0.03469270 4.61475708 -0.86775466 0.03530453 -0.75961815 H 3.10249731 1.54805316 4.57732576 -0.28023390 -0.20575482 0.23588499 H 0.01803489 3.09894748 3.08450755 -0.16225516 0.32089296 0.08914824 H 1.56984043 4.62674159 3.08282927 -0.31692208 0.13536812 0.17004901 Ni 1.54820848 3.09626628 4.61451926 0.76685335 -1.20129775 -1.91831774 Ni 0.04362351 4.61843944 4.62275645 0.01937075 0.00109599 -1.07856115 H 3.09120809 3.10837623 3.06103951 0.28055878 0.27791684 -0.19994298 Ni 4.64573842 4.64497016 3.05978360 -0.05845392 -0.18606051 1.23466023 H 4.57226253 3.10790230 4.65376357 0.01362120 0.44731099 -0.47934208 H 3.08454149 4.63461744 4.61519051 0.03044862 -0.13486345 -0.05094959