16 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=3060.066428979753 stress="-16351.835818791962 -1775.2831440898663 -2981.795550575388 -1775.2831440898663 -15338.201323090485 -1555.2089084114705 -2981.795550575388 -1555.2089084114705 -17444.337557790863" pbc="F F F" Nb -0.23356354 0.18517875 0.02741826 -419.66212926 -870.74258620 -303.62802980 Nb 1.33485563 1.55826633 1.37326060 1188.17709106 -959.86222174 721.25449022 Nb 2.75573609 -0.26077202 0.28897379 180.05176505 -339.15457826 -391.61756649 Nb 4.79138552 1.55348005 1.55480202 746.47402850 372.50468322 -535.30602626 Nb -0.08909647 2.67018300 -0.08769644 -916.66303215 1245.40171744 -1007.98535532 Nb 1.77946007 4.33891401 1.63911163 -1594.98436493 2575.44480218 -1177.76700626 Nb 2.87867785 3.05331833 -0.04023514 -624.02079122 -1488.71944014 -2321.22879430 Nb 4.20982839 4.22513515 1.35696856 2124.97103731 1362.34797320 1059.69667953 Nb -0.17767178 -0.01974112 3.10734540 -197.12162628 -201.84202836 -56.52623047 Nb 1.48426505 1.48633922 4.49193801 -443.10403826 -674.66677611 976.15769607 Nb 3.20977692 0.29325040 2.83492344 -1500.01821715 -1639.73676152 -787.35428485 Nb 4.46335189 1.25598630 4.46182384 1236.65609358 805.73652530 1577.47729639 Nb 0.12205339 3.03106307 2.81494214 -1619.26269569 96.72876018 591.49751708 Nb 1.40193853 4.23372058 4.65358622 -398.75777694 845.21158450 970.25862530 Nb 2.75482921 2.97935225 3.13830213 1794.13419523 -1517.75856239 357.73329726 Nb 4.36434604 4.45997221 4.27680791 443.13046114 389.10690868 327.33769189