32 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=-7.327090113443566 stress="0.0002044928080065984 1.3387568057602353e-05 5.650965302297589e-06 1.3387568057602353e-05 0.0002071668798057002 1.2566713771829566e-05 5.650965302297589e-06 1.2566713771829566e-05 0.00018283924006244764" free_energy=-7.327090113443566 pbc="F F F" user19 21.20884333 21.03844476 20.88690915 0.26784473 0.17008877 0.21974097 user19 22.67666192 22.43458764 20.75415088 0.26784059 -0.37637688 0.43943183 user19 22.26386435 21.04134753 22.52449543 0.02377681 0.35773910 -0.19365051 user19 21.16855303 22.69263938 22.67278720 0.56045272 0.13065594 0.20083780 user19 23.76891714 21.23846986 21.27897413 -0.23326982 1.00704872 0.49172442 user19 25.29501338 22.54140628 21.15236349 -0.60315995 0.03052110 0.47202030 user19 25.69075767 21.02240239 22.79824410 -0.62665682 0.66088920 0.53663324 user19 24.05641572 22.42962844 22.34937368 0.24890302 -0.27918614 -0.27869965 user19 20.91825848 23.82546952 20.83337639 0.18612937 -0.02320799 0.15049354 user19 22.11619722 25.61999757 20.96326444 -0.04978791 -0.14303614 0.16999416 user19 22.59993181 23.83840684 22.56337548 0.32060334 -0.36095899 0.83415965 user19 21.03897574 25.79793220 22.78704610 0.34149712 -0.16530842 0.09212158 user19 24.26469418 24.18701007 20.75490621 0.36824817 0.16407190 0.37606912 user19 25.34564002 25.35948287 21.30468433 -0.46509428 -0.47214888 -0.00424624 user19 25.44471173 23.91129861 22.92674563 -0.47072172 -0.33811543 0.13757456 user19 23.85598291 25.59902660 22.77132825 -0.29770330 -0.36332798 0.31408632 user19 20.89082895 21.18478007 24.27755437 0.25100251 0.65689842 0.36473145 user19 22.59702094 22.73952245 24.00956358 0.25655806 0.99558458 -0.29403800 user19 22.77232901 21.07111669 25.43475490 0.33789062 0.69272709 -0.07385275 user19 20.99332595 22.41421616 25.34059864 0.27269072 -0.16826780 -0.76404545 user19 24.24139773 20.90794116 23.85159108 0.47512255 0.62218195 -0.21664967 user19 25.24468717 22.29474768 23.71199385 -0.43569390 -0.51950738 -0.67426508 user19 25.56394969 21.20861888 25.59025465 -0.17496772 0.10617184 -0.17342136 user19 23.71330270 22.36347829 25.76740464 -0.38015875 -0.48009344 -0.38710859 user19 21.26231529 23.86659321 24.28400629 1.20151076 -0.15889521 0.85783180 user19 22.52274796 25.41819733 23.85709492 0.28961884 -0.43123684 -0.08086721 user19 22.20595467 24.16068409 25.40841417 -1.15366776 0.81678253 -0.96667826 user19 21.27184119 25.25773245 25.69670852 0.93455802 -1.12196568 -0.49549480 user19 23.74029505 23.74610892 23.73388883 -0.93553501 -0.51498253 -0.45275696 user19 25.25256555 25.61424851 24.52880525 -0.33560952 -0.42580017 0.16317678 user19 25.39619803 24.03791439 25.45597132 -0.20825761 0.24760253 -0.27630261 user19 23.61345144 25.22799686 25.29895786 -0.23396388 -0.31654780 -0.48855040