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=45.300910917980616 stress="-6.691547750043048 -0.4860747919316175 -0.02329433809438586 -0.4860747919316175 -6.006257459586391 0.8606751097843066 -0.02329433809438586 0.8606751097843066 -4.839418006637508" pbc="T T F" W 0.06504129 -0.29134056 0.22277084 16.72692838 37.78208725 -45.93429249 W 1.68584377 1.68362810 0.19581920 -19.89731633 -20.88929498 -50.06485890 W 1.64685009 0.42259636 1.67626233 -21.34464866 -12.80843890 40.51874522 W -0.14597521 1.70996341 1.49207130 24.51503661 -4.08435337 55.48040617