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=-64.20018927633444 stress="-0.0009418121829720153 -1.9591417239147935e-05 -8.241377567932929e-05 -1.9591417239147935e-05 -0.0009769173821421756 3.411588422110602e-05 -8.241377567932929e-05 3.411588422110602e-05 -0.0009682810910534249" free_energy=-64.20018927633444 pbc="F F F" Zr 20.87503672 21.12056598 20.74190094 0.28304811 -1.09728379 -0.27714900 Zr 22.59073906 22.77219963 22.43381326 -6.56460360 -7.47268639 -7.49710079 Zr 24.41320158 21.25978669 20.72592512 -0.50668912 -1.24751672 -1.85395275 Zr 25.28504734 22.68365717 22.70288723 10.75114754 -0.09180181 -4.34929257 Zr 21.08343331 23.79585403 20.94809454 -4.66149723 2.97235198 -4.65814672 Zr 22.72094491 25.73171545 22.68190327 -2.56419594 6.29351865 -2.25706970 Zr 23.82183498 24.21219253 20.92485375 2.01580849 1.89018682 -5.40660260 Zr 25.62990665 25.28220450 22.79279389 2.55080139 2.16975027 -0.46522469 Zr 21.06210000 21.13362859 23.81156281 -2.17666513 -2.44274889 0.12681036 Zr 22.57034430 22.65022594 25.55473499 -1.89898901 -1.75931365 5.41560677 Zr 23.79354433 21.13661615 23.62384419 -0.31394800 -10.76824873 4.21614102 Zr 25.37719504 22.29951608 25.61041876 1.72940588 -0.07360913 1.70028629 Zr 20.76735611 23.83533445 23.74148635 -4.09241022 1.81583299 1.42298250 Zr 22.58611608 25.53369179 25.52598936 -1.57504320 1.82797155 1.97844661 Zr 23.72329650 23.96375436 23.90583543 5.67868579 7.66113656 10.80337986 Zr 25.25559716 25.44802570 25.65373720 1.34514427 0.32246030 1.10088542