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=0.016845616429578714 stress="-3.840749407596924e-06 -1.625453183834716e-06 -1.0142055475574545e-06 -1.625453183834716e-06 -4.075125190250087e-06 1.0610046561625524e-06 -1.0142055475574545e-06 1.0610046561625524e-06 -3.7462454333313637e-06" free_energy=0.016845616429578714 pbc="F F F" H 20.90480033 20.87719504 20.95357789 -0.00990725 -0.00947710 -0.00829666 H 22.61041876 22.32724151 22.33533445 0.03789943 -0.04299094 -0.07354782 H 23.74148635 21.25042691 21.03369179 -0.06275702 0.03627515 0.03789518 H 25.52598936 22.22329650 22.46375436 0.04660696 0.02806101 -0.01041842 H 20.72009273 23.74403781 20.73456186 -0.00165285 0.00354208 -0.00024641 H 22.79874826 25.27290972 22.28062161 -0.04976563 0.05511563 0.01345445 H 23.86136659 24.05835534 20.74645637 0.02900644 -0.02167464 -0.04787882 H 25.48193431 25.42001865 22.70070203 0.02125071 0.01202253 -0.01079566 H 20.92156851 21.09495402 23.82890044 -0.01021368 -0.00796108 0.00866089 H 22.78187239 22.51001192 25.48453339 -0.01713883 -0.01390744 0.02752508 H 24.10170120 20.87793365 23.71904386 -0.00929196 -0.04062432 0.03444074 H 25.50082602 22.74624097 25.64302402 0.01347922 -0.02246888 0.00621520 H 20.85498893 24.11042859 24.20947124 -0.02276750 -0.01584165 -0.01813456 H 22.35512851 25.55280714 25.41333883 0.01444881 0.02141668 0.01728845 H 23.84655491 23.87241235 23.82230844 0.01369041 -0.00885001 0.00994311 H 25.29250357 25.22286420 25.43858073 0.00711274 0.02736299 0.01389524