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=84.75314665361411 stress="-0.007212767456310328 -0.005777370261967009 0.001698776922032418 -0.005777370261967009 -0.010072790791698752 0.0018811861391207635 0.001698776922032418 0.0018811861391207635 -0.00800080323197467" pbc="F F F" In 21.14836138 21.14604221 21.03434906 -23.31390315 -30.01264952 -26.08614283 In 22.30493782 22.60807227 22.32310531 76.70415166 -21.41573740 34.15584554 In 24.22268027 20.82692191 21.13904314 -4.99716545 -3.93423863 -3.45595334 In 25.47854151 22.51861410 22.53936501 46.26599971 58.81199000 -59.97833194 In 20.92803138 24.02287909 21.24416938 -103.13937617 -68.13366324 -98.01808072 In 22.00412860 25.55209507 22.21068580 67.53156451 108.08060298 67.36079797 In 23.92602871 24.29902311 21.20960111 -0.01956948 -6.45346224 -14.31247934 In 25.46760572 25.16370938 22.91418813 11.53894907 10.35199873 5.45609030 In 20.92705049 20.93185212 23.95188896 -0.15825698 -0.67834939 -0.12835239 In 22.79533558 22.46814777 25.31765073 -218.09459120 -237.93803113 201.99443754 In 24.54742622 21.20463536 23.98214118 -68.25900058 -102.64896116 6.03598750 In 25.51292615 22.36917624 25.58511089 39.98767212 33.06598503 57.49251078 In 20.88150572 23.76094837 23.74696517 -20.98810842 13.22143708 31.02021352 In 22.52097415 25.65619093 25.33455732 -1.74735012 1.86324482 0.31923369 In 23.89498449 23.72237125 24.28839545 199.80578663 246.96839265 -201.87552793 In 25.58741217 25.57101425 25.66536093 -1.11680215 -1.14855859 0.01975165