32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-53.634181671462954 stress="-44.328002037246065 -6.930737771565298 -5.840480226779206 -6.930737771565298 -47.06779930022242 2.500241545657822 -5.840480226779206 2.500241545657822 -39.66018869861716" pbc="F F F" Ni 0.27037508 0.22826066 0.10849964 1.10000904 0.57976336 0.43967478 H 1.82600323 1.44891209 0.32549755 -0.02116783 -0.39229006 -0.46358061 H 1.80125235 0.02961802 1.78689212 -0.26565303 -0.42336045 -0.04480266 H -0.27419505 1.88647783 1.09058878 -0.34063355 -0.32119106 0.06630397 Ni 3.32749879 -0.16038246 -0.23546253 -0.51876823 0.90009487 1.19830561 Ni 4.50041025 1.75551247 0.09849586 4.02395727 -5.93801599 -1.34847667 H 4.35999571 0.19420371 1.10438146 -0.01689146 -0.06922694 -0.20166168 H 3.10941028 1.00216302 1.68419466 0.42099129 0.16228930 -0.03647469 H 0.43499846 2.75659222 0.01719141 -0.15715243 0.34586674 -0.51476781 Ni 1.06227773 4.50359810 -0.07877783 0.61185555 -1.09507708 1.72196704 H 1.51104294 3.26695760 1.30553973 0.22723277 0.52663277 0.02544028 H 0.20055749 4.59912599 1.58920516 -0.13589500 0.08655992 -0.16269802 Ni 3.19877714 3.02693959 0.13250256 -8.52035078 1.45899238 -6.50059244 H 4.30153165 4.30737285 0.03303345 0.02828604 0.15544015 0.03250181 Ni 4.28011711 3.13572127 1.55791531 12.33958727 -2.23524215 -5.91514262 Ni 2.92492264 4.58501927 1.56603388 -4.52851549 6.96625970 -4.31065072 H -0.02455654 0.11785376 3.00933243 -0.06824557 0.38111167 0.30558663 H 1.12939278 1.70112547 2.84584289 -0.28775303 0.28565262 0.54216202 H 1.33375718 0.19171460 4.47136687 -0.07759600 0.08993090 -0.00588472 Ni -0.11594676 1.77143892 4.55389262 -0.04794014 -1.43706565 -0.44045523 Ni 3.10338854 0.24759167 3.11018303 -7.39336322 -3.91474262 -0.49406631 Ni 4.42518197 1.24663523 2.98702489 9.18253392 1.30297443 -1.27361148 Ni 4.59661800 -0.04740450 4.67061300 0.38244255 -0.48965333 1.49525689 H 3.43696742 1.50669042 4.52428385 0.17112572 -0.45650338 -0.16926873 Ni 0.03851086 3.14982991 2.74795387 -5.69992773 -4.62924242 -3.29662697 Ni 1.32929456 4.28747849 2.89476746 3.07842361 8.24203290 -3.79795585 Ni 1.37993804 3.28095696 4.32464588 3.09428282 -3.40341155 6.87118550 H 0.52608459 4.55594096 4.38188264 -0.26111275 0.21121740 -0.02406596 Ni 3.28460712 2.75346517 2.76772449 -12.64456205 -5.89280287 6.96607999 Ni 4.27715687 4.24014891 2.93198894 6.40029968 8.91552695 9.22631209 H 4.48935724 2.79055517 4.24039954 0.24489722 0.07572047 -0.05183332 H 3.30939742 4.30123654 4.26474282 -0.32039644 0.01175901 0.16183988