32 Lattice="6.8599553320837 0.0 0.0 0.0 6.8599553320837 0.0 0.0 0.0 6.8599553320837" Properties=species:S:1:pos:R:3:forces:R:3 energy=-143.7962184353963 stress="-0.013416254984769171 -0.00188118202203754 6.681037172275321e-05 -0.00188118202203754 -0.012103061590421361 -0.000677181577677132 6.681037172275321e-05 -0.000677181577677132 -0.013628576502274795" free_energy=-143.7962184353963 pbc="F F F" Ni 0.03000794 0.01345460 0.00035878 0.24706941 0.20149663 0.22896118 Ni 1.72958889 1.73947124 0.01690865 0.03274536 -0.12330080 -0.91127696 Ni 1.75497996 0.00607581 1.71507804 -0.36259347 -0.54516721 0.09767255 Ni 0.02848127 1.75148536 1.68484818 -0.71656224 -0.38804032 0.30725479 Ni 3.45326150 0.01095452 0.04017024 -0.20972363 -0.05148825 -0.24565811 Ni 5.16976160 1.69810205 0.02246382 0.00399626 0.32292516 0.03776854 Ni 5.13712401 0.03203445 1.72478008 0.06140279 -0.20373358 0.24635830 Ni 3.43397182 1.71622921 1.68111134 0.17436864 -0.02765440 0.35959253 Ni 0.01600824 3.46178150 0.01899109 0.06426652 -0.14992202 -0.06370000 Ni 1.71213200 5.16512387 0.02906658 0.29671718 -0.20519156 0.04230546 Ni 1.74826459 3.41402240 1.71581169 -0.33421551 0.50518235 -0.23339526 Ni 0.00452117 5.13947713 1.71866431 0.08077351 -0.05054609 0.19839397 Ni 3.46366467 3.40394100 0.01470952 -0.25734907 0.20825293 -0.87982069 Ni 5.12369043 5.15755541 0.03178414 -0.09454521 -0.14680272 0.06415167 Ni 5.11620780 3.45668517 1.73205679 0.85801040 -0.28772549 0.14022095 Ni 3.43364709 5.12913378 1.70550801 -0.21203395 0.74678110 0.27220149 Ni 0.03912255 0.00426899 3.46120117 0.07803067 0.13880057 -0.46099577 Ni 1.71390311 1.73651481 3.41582072 -0.07902491 -0.29893876 0.28449019 Ni 1.76185962 0.00433767 5.11988899 -0.10850233 -0.00853256 0.18486759 Ni 0.02474423 1.70936889 5.13382309 0.05379993 0.15422141 0.00145404 Ni 3.39706048 0.03337572 3.42897778 0.37935740 -0.75854446 -0.20550094 Ni 5.12497017 1.72199765 3.40192862 0.65084542 0.05134651 0.10945579 Ni 5.12067568 0.03040971 5.15642695 -0.12944085 0.11198969 -0.32655681 Ni 3.45015214 1.68983159 5.16047328 -0.33595816 0.62457281 0.51075715 Ni 0.00891060 3.41237741 3.39941087 -0.63166643 0.17785266 0.13199740 Ni 1.72122712 5.14698417 3.40434383 0.08432730 0.55321006 0.08209437 Ni 1.68503132 3.45821540 5.14564207 0.29379166 -0.23735542 0.51613725 Ni 0.00340066 5.17243563 5.11229129 0.20488716 -0.25627955 -0.32263778 Ni 3.40298796 3.40988120 3.44366559 0.30704055 0.35999076 0.15359164 Ni 5.11844568 5.15982147 3.45010330 -0.11134556 -0.00930886 -0.30539462 Ni 5.15174917 3.44136100 5.08414485 -0.05752810 -0.22397997 0.14772615 Ni 3.42876871 5.15488545 5.15697273 -0.23094075 -0.18411063 -0.16251607