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=146.04401444820414 stress="-1492.2919796761425 -31.435912748474635 38.90511268541408 -31.435912748474635 -1376.5595104621843 -9.64193631140887 38.90511268541408 -9.64193631140887 -1404.8861065416102" pbc="F F F" Ni 0.25980354 -0.03332758 0.27143892 -70.92657414 -8.67015227 -42.66317173 Ni 1.64634615 1.60338854 0.24759167 0.20973747 -11.02180428 -61.21858946 Nb 1.61018303 -0.07481803 0.95819856 48.71880916 -55.84580741 28.40750552 Nb -0.01297511 1.44857885 1.68843096 -75.30432691 -53.60377547 -36.76143672 Ni 3.17061300 0.29169807 -0.03136998 -22.02704523 -18.23169819 -46.01209135 Ni 4.44630638 1.53851086 0.14982991 28.39610648 21.39266406 -13.76719251 Nb 4.24795387 -0.17070544 1.20485931 40.20860539 -38.44890381 7.52091287 Ni 2.89476746 1.53087728 1.78095696 35.61807191 -34.33335901 -107.99691253 Ni -0.17535412 3.26008946 -0.12324026 -12.56162030 -10.50200494 -32.09397733 Nb 1.47034380 4.78460712 -0.24653483 -3.97475217 18.44847056 -18.31124095 Ni 1.03188903 2.77715687 1.38541826 -2.15445643 64.23567713 -32.59607649 Nb -0.06801106 4.32743118 1.29546282 -27.29200090 45.09706307 5.06713479 Ni 2.74746660 3.19691689 -0.27043062 7.39882302 0.66988942 -17.82875071 Nb 4.33885520 4.71844942 0.23010044 59.06003086 14.27178560 -60.42018178 Ni 4.59566688 3.18486780 1.62033173 38.39080042 3.96786520 -21.75050171 Nb 3.17828948 4.71182891 1.29301824 -47.34122140 36.39873432 32.31133805 Ni -0.26758015 0.07255377 3.17321838 -10.93552854 -22.86446032 -2.51979338 Ni 1.51258782 1.66911338 2.80454100 -46.91241687 -46.77357017 49.34899542 Nb 1.61874982 -0.04411261 4.45297513 -5.82603269 -31.72648579 21.07093628 Nb -0.15318125 1.39993432 4.54737131 -24.69649289 -5.77616344 38.04427430 Ni 3.22284584 0.24404962 2.86810690 -5.10807186 -79.60741469 26.87649988 Nb 4.62937675 1.25818085 3.16286361 78.02879760 -17.70799369 -4.46827617 Nb 4.29640878 0.21456242 4.77913633 12.23251809 -24.89613837 31.78298587 Ni 2.77852438 1.68492541 4.33178173 7.39339537 -18.40720725 57.11486489 Nb -0.11676220 2.76192411 2.96490969 -74.35810503 33.99575072 26.30075452 Ni 0.97483647 4.62263099 3.04530481 35.86472879 33.88096476 -40.90600179 Nb 1.45206007 3.12593290 4.34000708 -26.02961531 15.61021082 62.99734319 Ni -0.10098809 4.41812645 4.20122014 -51.13998104 7.88196853 50.48153815 Nb 3.23212867 2.75294705 2.76067717 46.33606171 89.66567685 29.37660129 Nb 4.67871475 4.69104769 3.14230628 27.79405263 29.16391440 4.11773433 Ni 4.45283623 2.78353165 4.20072959 31.04207263 16.45106722 36.45984533 Nb 2.91640448 4.34628414 4.29061752 9.89563021 47.28523646 32.03492992