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=14.424085268068026 stress="-0.0006083128744175006 0.00010269877574996608 5.383373215232905e-06 0.00010269877574996608 -0.00043694197983029865 0.00042704984232324 5.383373215232905e-06 0.00042704984232324 0.00013075215366855435" free_energy=14.424085268068026 pbc="F F F" O 21.43336460 20.97610834 20.88286591 -1.16541485 -1.39153699 -1.80853472 O 22.74849743 22.80442371 21.14225332 5.75887303 -1.92301518 6.35242594 O 22.69877714 21.10881314 22.63250256 8.04042534 -1.63728315 10.16503611 O 21.10031152 22.55442580 22.35431870 -3.69422869 7.45920706 4.01341201 O 23.90605002 20.97572835 20.95692722 0.11458717 -2.31702190 -1.72823827 O 25.23387496 22.50314572 21.06603388 1.03743308 -0.39596528 1.13047077 O 25.50693356 21.16501753 22.72580078 5.08293255 12.58120464 13.58614875 O 23.92866320 22.68883157 22.20077888 -7.51361428 -1.86913712 -8.13839275 O 21.04313966 24.18045050 21.01275059 -1.42557237 1.41280442 -0.31954889 O 22.22734960 25.77143892 21.08166812 0.28224413 1.40235552 -1.10126943 O 22.60338854 24.24759167 22.80123072 -3.04581388 -0.68490775 0.45838144 O 20.92518197 25.21514513 22.48702489 -3.88866382 1.27755712 -2.08586427 O 23.94857885 24.18843096 21.17061300 -0.61983915 9.49472726 1.13416272 O 25.74453430 25.25216167 20.95860028 1.72646565 -3.70140353 3.52479856 O 25.53851086 23.99611405 22.03857139 4.95251559 5.61379471 -5.21828808 O 23.82929456 25.28747849 22.39476746 0.27855668 -2.36469858 -9.15727499 O 20.87993804 21.52434973 23.82464588 -1.29431681 -1.01853206 1.60887323 O 22.47165279 22.37675974 23.73968547 1.56429914 -4.40268470 1.34646534 O 22.93554637 20.90150432 25.03188903 6.18666622 -2.06790159 -6.78216704 O 20.92242622 22.27820930 25.50996641 -1.08803633 -0.59402786 -0.34760737 O 23.82743118 20.79546282 23.70940621 -12.56738742 -2.67644179 2.17151913 O 25.67851741 22.22956938 23.83885520 -0.77673320 -13.10779735 -13.76694745 O 25.70119426 21.22519279 25.62666022 0.24149154 -0.16266574 0.29904596 O 24.31574782 22.69199888 25.67828948 -0.34412183 -0.75733221 1.30284641 O 21.21182891 23.71890587 23.44465256 -0.61400848 -1.93869854 -7.76356940 O 22.74635015 25.51129231 24.01258782 -1.92888970 3.24038244 3.96265920 O 22.57322396 23.76196257 25.49617949 0.57055550 0.12958886 1.14330808 O 20.98909687 25.39354717 25.54722541 -0.64263785 0.43653756 0.44651128 O 23.92540908 24.08239258 24.03238783 0.76836894 -2.94817970 2.20485196 O 25.70832577 25.38994979 24.27957218 -0.25449306 0.34028861 1.29466749 O 25.25818085 24.22470245 25.44259776 3.43549089 1.17461838 1.90013048 O 24.44910307 25.77913633 25.38744021 0.82286628 1.39616440 0.17198777