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=0.06379383153241226 stress="-7.835536416596624e-06 -9.937405854935467e-07 -1.0794082338258399e-06 -9.937405854935467e-07 -8.118177897088217e-06 -1.1708028621750335e-06 -1.0794082338258399e-06 -1.1708028621750335e-06 -6.791601046267121e-06" free_energy=0.06379383153241226 pbc="F F F" H 21.27472959 20.75579676 20.86811158 -0.00927198 -0.00673045 -0.00568577 H 22.24148635 22.58611608 22.53369179 0.03507284 -0.03096087 -0.01815650 H 24.02598936 20.72329650 20.96375436 -0.01631160 -0.02135659 -0.01740384 H 25.40583543 22.15531690 22.20178472 0.03824121 0.00663288 0.02437299 H 21.29874826 23.77290972 20.88090187 -0.03914017 0.00819699 -0.05469801 H 22.23502795 25.55835534 22.24645637 0.00565562 0.03484920 0.01398619 H 23.98193431 23.92001865 21.20070203 -0.00822878 -0.01118737 -0.04935853 H 25.20342959 25.40085166 22.49793547 0.02942887 0.03432857 0.01404628 H 21.28187239 21.01001192 23.94551013 -0.05241171 -0.05762766 -0.00246890 H 22.38389428 22.59607258 25.21904386 -0.04687557 0.03975953 0.10314925 H 23.76798671 21.24624097 24.33712637 0.05215710 -0.08668732 -0.03815605 H 25.35498893 22.44139356 25.70947124 0.02563131 0.00797978 0.02248536 H 20.85512851 23.93481911 23.84634476 -0.05268717 0.02064336 0.00399037 H 22.34655491 25.37241235 25.32230844 -0.00672314 0.01978778 0.01325679 H 23.91049160 23.72286420 23.93858073 0.02785549 0.03076167 -0.02082555 H 24.97207902 25.43185209 25.47650099 0.01760767 0.01161050 0.01146593