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=55.0712757888405 stress="-2.8006174997015885 -0.045074380574791746 -0.008249419761545876 -0.045074380574791746 -2.7537747053081865 0.07016176688026314 -0.008249419761545876 0.07016176688026314 -1.2179029399561145" free_energy=55.0712757888405 pbc="T T F" K 0.06504129 -0.29134056 0.22277084 1.40254128 2.70338639 -11.60457811 K 1.68584377 1.68362810 0.19581920 -1.77407840 -1.34690135 -12.25589563 K 1.64685009 0.42259636 1.67626233 -1.61067668 -1.13404985 12.30761703 K -0.14597521 1.66771000 1.49207130 1.98221380 -0.22243519 11.55285671