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=20468.30486109451 stress="-1.143302399711455 -0.05756997483849811 0.16690962075150517 -0.05756997483849811 -0.9544913381642497 -0.20858971739594556 0.16690962075150517 -0.20858971739594556 -1.4158905393054404" pbc="F F F" Gd 20.93204491 21.26982441 20.89974959 -1013.52699575 -3400.11532820 -1297.97845968 Gd 22.31221311 22.57131102 22.60110092 4964.08732090 -4341.17713307 3705.55883005 Gd 24.16001215 21.02576041 20.89057373 -1553.71949783 -1722.88037359 -2401.44590146 Gd 25.49144304 22.23029250 22.51858379 11070.84097334 9682.76887670 -8425.66771260 Gd 21.02212801 23.71795450 21.10523036 -4432.47673141 5506.22199280 -5049.72436494 Gd 22.78710001 25.30492702 22.35094372 -19517.69611379 17988.09146926 12936.03458741 Gd 24.06188671 24.27357295 21.11821467 16517.08806432 -14921.07051036 -19204.88994532 Gd 25.48419547 25.42104888 22.78974945 3901.74088423 2945.30332629 -9335.34450637 Gd 21.03516574 20.90116191 24.38945551 -2041.22755175 -2219.59816298 -998.04302010 Gd 22.51306742 22.46243737 25.53985019 1008.72024386 1069.97025116 2633.67860443 Gd 24.28850925 21.09779167 23.88224235 -11015.99882588 -11549.82684814 7440.88350588 Gd 25.63257893 22.34032552 25.36095020 2967.42149075 2136.22147346 3421.06923852 Gd 20.90539492 24.17863976 23.90261134 -2498.38687127 952.91830777 1291.56412544 Gd 22.57402076 25.55938811 25.55690295 -2381.09335993 3186.68846776 3408.93069966 Gd 23.85261414 24.21386007 24.11857174 -3948.59250953 -10522.88848797 -1571.57366650 Gd 25.51743456 25.36723024 25.02189583 7972.81947973 5209.37267913 13446.94798557