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=27.99879234847285 stress="-5.803290191231941 0.39913687212887333 -1.7682139155433783 0.39913687212887333 -3.933738399640706 -0.04455911389303219 -1.7682139155433783 -0.04455911389303219 -4.62872087383291" pbc="T T F" Re 0.09176916 0.06487656 0.01477119 -15.72841460 -8.12677147 -57.42777166 W 1.79553441 1.34125301 0.00601457 -21.67810469 7.08341781 -40.69257853 Re 1.20763472 -0.07860956 1.28901754 24.87009396 -6.08677047 52.66295841 W -0.01993104 1.41147823 1.27999011 12.53642533 7.13012413 45.45739178