4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=74.27348921852528 stress="16.858800412322648 -1.074380883815566 -0.9441179868728753 -1.074380883815566 18.128668644084833 5.926533887269645 -0.9441179868728753 5.926533887269645 19.936615248718446" pbc="T T T" Nb 0.00082602 0.24624097 0.14302402 -20.82577277 198.33444198 202.66573550 Nb 1.33546439 1.61042859 0.20947124 -9.15170730 -30.23863195 28.83505888 Nb 1.33506508 0.05280714 1.41333883 -9.45054744 37.74754772 14.42910728 Nb -0.15344509 1.37241235 1.32230844 39.42802751 -205.84335775 -245.92990166