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=14.07102256454879 stress="-0.0010457737466334415 -0.00024806443496553775 -0.00011287138101092433 -0.00024806443496553775 -0.0010185692957846396 -0.0002293738731910053 -0.00011287138101092433 -0.0002293738731910053 -0.0011179469228684569" free_energy=14.07102256454879 pbc="F F F" Kr 21.28624116 21.05210633 20.87364005 0.01480023 -0.47195672 -0.50050659 Kr 22.62174405 22.75122860 21.13911290 -6.90822217 -8.26627578 -4.18751563 Kr 22.67911552 21.27007423 22.67859595 -10.73428451 -15.02692566 -15.36322464 Kr 21.18700861 22.31730868 22.32248065 -1.81483707 0.89996190 0.55263201 Kr 24.33502217 21.04202221 21.13296753 -5.04875793 -3.66611576 -2.49004975 Kr 25.57665203 22.18462230 21.18097162 4.38697713 6.02935118 -4.47254583 Kr 25.30046648 21.29975156 22.57192302 -1.73789691 -8.95032981 -1.78224021 Kr 23.75630972 22.47813430 22.59665676 13.16810075 2.59293149 -7.72250733 Kr 21.02391618 24.08225074 20.94375483 -0.10707616 0.11777564 -0.03047275 Kr 23.01048239 25.61547822 21.03039054 -0.32814944 0.29934668 -0.18974218 Kr 22.69578204 23.89884354 22.39794289 -5.83941898 5.40871066 1.19909811 Kr 20.97816800 25.71675520 22.55626225 -3.67221294 0.01568518 -3.15726853 Kr 23.84800899 23.79770429 21.10312579 9.01760900 5.57320819 -2.90327469 Kr 25.53118113 25.53918260 21.43845558 4.05290257 -0.44421114 -3.92315924 Kr 25.35815885 23.76076823 22.55293052 0.32067415 0.27582450 0.00730171 Kr 24.32658871 25.69557011 22.58078666 -4.50289407 0.60056582 3.50653335 Kr 21.06247658 20.99055248 24.16349815 -0.62209176 -0.37055965 -0.68814912 Kr 22.60545735 22.42255076 23.73056374 -9.26782416 6.65402095 15.10193051 Kr 22.25426557 21.33902596 25.60064222 2.04544305 -2.36087153 1.43139634 Kr 21.39269954 22.78436792 25.14725561 -5.20886479 -3.10441460 0.80041720 Kr 23.79131821 20.91808614 23.77679775 6.91433426 -3.18209009 7.37646808 Kr 25.76253494 22.21050956 23.79066578 3.17145378 5.99683963 8.40198099 Kr 25.47496329 21.19869541 25.72890977 0.65179293 -0.73958176 0.10078803 Kr 24.20958923 22.57212929 25.54612980 -1.33818141 0.26643730 -0.04193228 Kr 21.03632401 24.24912633 24.13992503 -3.70921574 -1.16155630 -5.40334683 Kr 22.27138911 25.71831260 23.63778592 4.11635349 0.34340936 2.78108404 Kr 22.41657270 24.09605111 25.15606766 6.69995673 3.59427420 2.67676334 Kr 21.16765856 25.47195895 25.35184127 -0.56041513 3.19658736 2.70362933 Kr 23.66913505 23.74026616 23.76973525 5.76931001 5.50604891 5.73798478 Kr 25.59458529 25.52670193 23.99377494 1.46836257 -0.19636061 -0.11777090 Kr 25.74056132 23.69138630 25.33276131 0.57505450 0.51057981 -0.05098708 Kr 24.07936528 25.69543394 25.05431229 -0.97278197 0.05969064 0.64668576