16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=5.232680433226928 stress="-0.0014892998195225402 -0.0009582763612159698 0.0005743518029665404 -0.0009582763612159698 -0.0023087840385461905 -9.044986592187938e-05 0.0005743518029665404 -9.044986592187938e-05 -0.004389736443898212" free_energy=5.232680433226928 pbc="F F F" H 10.37503672 10.62056598 10.24396547 0.09038058 4.07897597 -0.85520648 H 11.04416865 11.52219963 11.18381326 -1.31061428 -0.69301775 -1.97903010 H 12.03218086 10.75978669 10.22592512 0.73853416 -1.55793953 -1.09380458 H 12.53504734 11.43159264 11.73475961 5.75314781 -0.72110420 -5.73011901 H 10.58343331 11.80586595 10.44809454 -4.15056094 -5.50766351 -6.57855748 H 11.45547830 12.98171545 11.43190327 -0.60161566 4.14543539 -1.45345498 H 11.92353618 12.21219253 10.42485375 7.08122412 3.64200999 -2.28116865 H 12.87990665 12.41013815 11.25182583 0.13710555 0.00292093 -3.04002617 H 10.56210000 10.63362859 11.82785543 -5.17404342 1.87535839 0.45427882 H 11.56658527 11.29852473 12.80473499 2.41449665 -5.87062333 10.36588992 H 11.91561068 10.63661615 12.04782435 1.77615020 -5.76670173 -3.60146037 H 12.48218398 11.04869006 12.86041876 -4.16200483 -2.32865094 5.23893153 H 10.26735611 11.83533445 11.74148635 -4.06523023 -4.65681585 5.41153680 H 11.33611608 12.78369179 12.77598936 7.22450807 2.35450967 4.72837403 H 11.72329650 11.96375436 11.90583543 -0.28413852 1.62701362 -1.93383367 H 12.50559716 12.45178472 12.90387677 -5.46733924 9.37629291 2.34765039