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=-0.02868895046880206 stress="-5.038030406110639e-06 3.3196314032716316e-07 -1.0867865351382238e-06 3.3196314032716316e-07 -4.355901467323709e-06 -6.791096492596941e-08 -1.0867865351382238e-06 -6.791096492596941e-08 -5.436747397391617e-06" free_energy=-0.02868895046880206 pbc="F F F" H 21.07529810 21.16493895 21.06452452 -0.01976101 -0.00605292 -0.01239607 H 22.73573857 22.52724172 22.24549274 -0.03338655 0.06405536 0.00420994 H 23.70296332 20.84887301 21.22083292 0.02081744 -0.04406341 -0.03449043 H 25.28984966 22.48735431 22.42299150 0.04048565 0.02210622 -0.01705589 H 20.80615514 24.44342448 21.03830676 0.00130780 -0.00317600 0.00138176 H 22.63102478 25.59995250 22.97332487 -0.01367097 0.02373323 -0.02890837 H 23.96162441 24.54821421 20.96431997 -0.00119356 -0.00417774 -0.01414884 H 25.54396501 25.72946602 22.69422191 0.00746163 0.00420472 0.00026119 H 21.23854596 21.01045081 23.80430989 -0.01322236 -0.01385557 0.00242664 H 22.33665384 22.68745344 25.52015752 0.02452995 -0.02952042 0.05357223 H 23.87970777 21.27711528 23.80405359 -0.02362054 -0.05755687 0.01352692 H 25.25213077 22.23125112 25.21824351 0.03820536 0.01107772 0.04010014 H 21.13616082 23.76429260 24.12968218 -0.04480710 0.02485579 -0.03724002 H 22.70546803 25.61420761 25.40595334 -0.01280723 0.02340292 0.03703354 H 23.95460942 24.07327937 24.19989723 0.02299415 -0.01826600 -0.01625786 H 25.62961200 25.56699849 25.46443339 0.00666734 0.00323297 0.00798512