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=177.374278299415 stress="-0.004201088610670111 -0.0005412413006956691 -0.00018586820000441806 -0.0005412413006956691 -0.0034018153805838716 -0.00019304150133962048 -0.00018586820000441806 -0.00019304150133962048 -0.00421457817457838" free_energy=177.374278299415 pbc="F F F" P 20.84126820 20.84140700 20.81668137 -7.08648267 -6.75983188 -8.24085814 P 22.41986395 21.94575019 22.59073906 -4.75118882 5.37534144 -16.11417201 P 24.27219963 20.93381326 21.13132919 1.93434984 -13.63709710 -17.43615620 P 25.75978669 22.22592512 22.58379560 22.67994960 3.38135006 -4.96935221 P 21.18365717 23.97579694 21.08343331 -11.09774847 -0.09651301 -16.88660009 P 22.29585403 25.44809454 22.72094491 4.38142478 30.91204947 -10.29234246 P 24.11261732 24.04326986 20.82183498 2.97372667 2.60576543 -14.30345552 P 25.71219253 25.42485375 22.62990665 13.32080411 11.73691956 -8.75252439 P 20.78220450 21.28278197 24.06210000 -21.26090473 -13.76146897 10.76177611 P 22.63362859 22.38538476 25.57034430 -3.77935156 -1.24751726 19.27619529 P 24.04852473 21.05473499 23.91561068 5.11490057 -27.80290989 9.56328407 P 25.63661615 22.15125670 25.37719504 14.10748870 0.47129180 15.25619424 P 20.79869006 24.11041876 23.76735611 -25.40118991 -5.29802085 10.04063052 P 22.31726876 25.24148635 25.58611608 -2.40726183 10.47391361 14.21411104 P 23.95371044 24.02598936 23.72329650 3.17316927 -4.59439173 4.84275894 P 25.46375436 25.40583543 25.25559716 8.09831445 8.24111934 13.04051079