32 Lattice="58.637990951538086 0.0 0.0 0.0 58.637990951538086 0.0 0.0 0.0 58.637990951538086" Properties=species:S:1:pos:R:3:forces:R:3 energy=-180.56570744614163 stress="0.00032643191019313144 3.007779459303283e-05 -6.124104947783064e-05 3.007779459303283e-05 0.0002488091557089796 -2.4337741027266646e-05 -6.124104947783064e-05 -2.4337741027266646e-05 0.0002807130713808294" pbc="F F F" Nb 29.19849972 29.41162447 29.41103643 3.03234110 1.37463082 1.11163308 Nb 31.58787752 31.25607153 29.18427478 -2.79417162 0.76536670 3.19199616 Nb 31.23678940 29.18157694 31.53022124 -0.35143632 2.74230683 -1.69270094 Nb 29.13410199 31.42886681 31.27016320 3.18640351 0.43154779 0.33080816 Nb 33.40475178 29.28478564 29.48782373 1.25543737 1.27418934 2.05323716 Nb 35.65583844 31.19850213 29.20691390 -3.53723977 -0.01672747 3.21152366 Nb 35.42499252 29.50463784 31.56807924 0.78122012 -0.83867920 -3.21415773 Nb 33.66044682 31.57639211 31.53558451 -1.95749193 -2.84727642 -2.05305124 Nb 29.54365718 33.65430868 29.19734946 1.48884099 -3.37125754 0.40839184 Nb 31.58817894 35.61668791 29.44649740 -0.88472701 -0.19076457 -1.09422818 Nb 31.44527874 33.47221222 31.34531075 -1.44148405 -1.40056496 -0.27259007 Nb 29.28390661 35.50851805 30.99130321 1.02302959 0.33031051 2.11419561 Nb 33.66724522 33.65655272 29.56183607 -0.80472092 -2.19394763 -3.04711760 Nb 35.69709869 35.62875054 29.44320122 -1.96512464 -0.85837711 1.83823398 Nb 35.41906424 33.56562948 31.38490942 3.01684095 -0.14936057 1.00300859 Nb 33.34574027 35.45295068 31.42455609 2.99663248 2.23718736 2.01614195 Nb 29.19565135 29.29872499 33.56017279 0.88482003 1.39735864 -1.12178358 Nb 31.36108812 31.22859992 33.50285197 -0.20177947 0.22903644 1.26871424 Nb 31.28093294 29.18683464 35.44887184 1.65032388 1.80389665 -1.21649561 Nb 29.25221543 31.12137685 35.67725325 2.30151332 0.44017886 -1.90045334 Nb 33.73425642 29.26383986 33.61686440 -2.49293104 2.33604592 2.61513022 Nb 35.81812627 31.18481371 33.32829618 -0.85665845 2.13142629 2.48205839 Nb 35.75468500 29.48806817 35.67116512 -2.80178070 2.41922995 -1.76348726 Nb 33.33730176 31.36995489 35.78575812 0.89242457 -1.34022076 -4.05229615 Nb 29.30842265 33.65900946 33.11043982 1.48548917 0.67329440 2.41011100 Nb 31.59003655 35.53901549 33.61567895 -3.80751289 0.77798303 -2.47559400 Nb 31.23171319 33.74307505 35.46414546 0.71965396 -4.82539416 -0.51687275 Nb 29.33110419 35.45749521 35.66025761 0.45407328 0.08386281 -2.81811683 Nb 33.54786068 33.55303589 33.43709897 -1.33646411 -0.94044381 0.50076793 Nb 35.71548415 35.52230431 33.40508594 -2.27204569 0.06738232 -0.81058474 Nb 35.43387908 33.59943904 35.29223961 -0.01929794 -2.99326484 0.89703170 Nb 33.37020211 35.43483878 35.46211441 2.35582225 0.45104437 0.59654634