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=-14.377797498562458 stress="-15.962481245008869 -0.8718383113684364 5.347315151038818 -0.8718383113684364 -19.606935185236086 4.400274602802336 5.347315151038818 4.400274602802336 -19.458778847012397" pbc="F F F" W 0.01276860 -0.03523144 -0.16919248 -4.00576396 -3.85104000 -2.40723692 Re 1.62036030 1.45631248 0.24843919 8.91642933 7.73156137 -10.12231498 Re 1.64432661 -0.23976508 1.74849743 2.04896878 -7.65328400 5.65877268 W 0.25911890 1.69019325 1.69877714 -6.95963415 3.77276262 6.87077923