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=54.99829169640043 stress="-2.798011662996829 -0.04503564190885797 -0.00824864632480635 -0.04503564190885797 -2.7511061434531574 0.0701595172965601 -0.00824864632480635 0.0701595172965601 -1.2178933632331592" pbc="T T F" K 0.06504129 -0.29134056 0.22277084 1.40255265 2.70327485 -11.60448201 K 1.68584377 1.68362810 0.19581920 -1.77406889 -1.34683536 -12.25580562 K 1.64685009 0.42259636 1.67626233 -1.61064488 -1.13402438 12.30750889 K -0.14597521 1.66771000 1.49207130 1.98216113 -0.22241510 11.55277874