864 Lattice="19.423750961013237 0.0 0.0 0.0 19.423750961013237 0.0 0.0 0.0 19.423750961013237" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2117.4175518281077 stress="-32.46840460540098 -8.955270677814433 -2.309881811016041 -8.955270677814433 9.26081379057404 6.463474142730789 -2.309881811016041 6.463474142730789 -8.913890285891966" pbc="F F F" Ni 0.01336922 -0.00078917 -0.01561032 0.43702595 0.46921430 0.42293472 H 1.60937183 1.63587381 0.00347717 -0.06428361 -0.24680582 0.10133742 Ni 1.59442890 0.02704808 1.64748463 -0.51816729 0.89991595 0.12920530 H 0.01612104 1.61908800 1.58304224 -0.04147572 -0.13649071 -0.08379294 H 3.22813631 0.00650623 -0.02569997 0.07242263 0.18589735 0.12255087 Ni 4.85498747 1.60078317 -0.01252691 0.23621818 -0.17402574 1.15040819 H 4.82856109 0.00259353 1.66736008 -0.23437708 0.12977207 0.04180876 Ni 3.24346546 1.64895289 1.61720789 0.00529790 1.03332200 -0.31765446 H 6.48077377 -0.01080145 -0.01222238 -0.46444707 0.67966366 0.00685567 H 8.07743961 1.59075055 0.00115549 0.12533070 0.06373508 -0.01942599 H 8.08966450 -0.00921384 1.64748407 0.48173330 -0.15484167 -0.10628756 H 6.46064981 1.62453134 1.63791147 -0.15297562 0.20040536 -0.29269143 Ni 9.71612153 -0.01067024 0.01302009 0.28327677 0.06585283 0.72784610 Ni 11.34198137 1.59814661 -0.01637496 0.36060553 0.11929069 0.73049674 H 11.26724787 0.00388176 1.59603847 -0.26394642 0.22005203 -0.04202614 Ni 9.73661094 1.57855786 1.60504900 -0.49596307 0.42803749 0.05314779 Ni 12.95572900 0.00547509 -0.01292881 0.04385950 0.53874081 1.19440372 Ni 14.61462830 1.62795956 -0.02769528 -0.35339599 -0.95606152 0.42308793 H 14.57470606 -0.00722269 1.59046588 -0.07692998 -0.09012983 -0.22308263 H 12.98875696 1.65713636 1.62555251 0.21025511 0.03356043 -0.15678392 Ni 16.21203193 0.01036538 -0.01301687 0.03721671 1.09917635 1.10186859 H 17.76238003 1.59675998 0.01378238 -0.16320933 0.06621217 0.00239287 H 17.79605954 -0.00614803 1.64376444 -0.60280188 0.12186657 -0.49268695 H 16.18903895 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0.28318021 -0.08909415 Ni 14.55113836 6.45256568 1.59875843 -0.33492358 -0.48695095 0.91528282 H 12.97531700 8.04665981 1.65235159 0.22257902 0.14771084 -0.24739635 Ni 16.17465844 6.45697901 0.02870162 0.59496270 -0.23882352 0.45200020 H 17.79258132 8.12257005 -0.00787624 -0.06699824 0.16175327 -0.03960161 H 17.78777538 6.48927857 1.65084824 0.17097055 -0.33344757 -0.14476549 H 16.14777552 8.12868581 1.61378737 -0.30721797 0.26061554 -0.38750800 H -0.01158551 9.71239218 -0.00566211 0.42086318 0.26478995 0.13560642 Ni 1.64066191 11.33188962 -0.03235407 0.14281213 0.39785122 0.83449335 Ni 1.59950550 9.71108072 1.64706235 -1.45914101 0.47342820 -1.47501818 H -0.02789090 11.29033143 1.62116748 -0.07434175 -0.19860629 0.07415774 H 3.25228517 9.68366462 0.00306750 -0.17963393 0.25449842 0.01022577 Ni 4.85341181 11.33569474 -0.03234661 -0.56793017 -0.37158853 -0.04783241 H 4.82631950 9.74348511 1.59459686 -0.27631270 0.28634961 -0.03207599 Ni 3.22966340 11.35672347 1.63401647 -1.49520867 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