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=-9.261320903947306 stress="0.42172947556141765 0.1544944412105478 -0.016853290126549493 0.1544944412105478 0.43991647352648267 -0.030916870996038525 -0.016853290126549493 -0.030916870996038525 0.37381690593064565" free_energy=-9.261320903947306 pbc="F T T"
B        0.03181700       0.27581233      -0.25232593       6.81462025      -1.05527551     -11.74758669
N        1.44389581       1.44551397      -0.00064515      -2.97857522      -1.91296242       0.62496576
H        1.24934259      -0.17436636       1.40457814      -6.11251909      -1.64233348      -1.54604987
O        0.14665882       1.60108297       1.68951062       2.27647405       4.61057141      12.66867080