16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=62.96122771243591 stress="-0.00031262338168983685 6.019579792655747e-05 0.00012125726068916743 6.019579792655747e-05 -0.00031604513820867507 -3.8996996021895695e-05 0.00012125726068916743 -3.8996996021895695e-05 -0.0002634184276494654" free_energy=62.96122771243591 pbc="F F F" W 20.70220318 20.71755886 20.85541431 1.38102826 1.75243791 1.09046851 W 22.41738531 22.76235339 22.34838096 -1.52173558 -10.47405577 7.33480965 W 23.91580779 21.21211731 20.91931914 -0.29776190 -4.86074997 0.00227279 W 25.79594673 22.81296672 22.49042854 -0.38531850 -0.72216863 2.29415104 W 20.85687199 23.88059959 21.24122900 -5.46674936 -1.02265004 -4.98211691 W 22.52201293 25.31634348 22.25760841 0.97113494 8.62170563 -2.14414204 W 23.98566276 23.54492706 21.04376171 3.88564828 5.74948107 -6.56308995 W 25.22051529 25.69273990 22.42758962 1.68801126 1.51100231 -0.23704526 W 20.76172667 21.05332204 23.84067722 1.67854100 1.97602742 -1.05052201 W 22.97954607 22.64248683 25.51283276 -1.92259984 0.14059886 0.29719755 W 23.96094833 20.82858036 24.14720807 0.28439745 0.74654342 -2.21376495 W 25.58942344 22.45706424 25.77559981 -0.70598572 1.23818780 -1.43555596 W 20.96171455 24.47648335 23.78604778 -4.45965961 -2.23335373 2.92967489 W 22.70384132 25.29224623 25.23214964 -1.16406504 4.58438709 4.97535850 W 24.00041025 24.25551247 23.85444624 7.36202646 -5.31881453 0.94260224 W 25.68208206 25.67364010 25.47870316 -1.32691211 -1.68857884 -1.24029808