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=2542.265098069492 stress="-0.053652665013500155 -0.0002533085203778844 -0.0002690905351581287 -0.0002533085203778844 -0.05213460331149352 -0.0012691320742738669 -0.0002690905351581287 -0.0012691320742738669 -0.0520295579631856" free_energy=2542.265098069492 pbc="F F F" K 21.05719733 21.27027626 20.79328005 -119.71134054 -125.58865243 -103.59736066 K 22.28510400 22.24458927 21.04990507 86.99830256 68.95296895 -83.08635889 K 22.61224544 20.87111754 22.68723373 49.85383285 -90.77699154 -29.60275006 K 20.95042521 22.31845710 22.31601751 -131.50588181 33.32380661 60.41984123 K 23.83399913 20.93053312 20.72809477 22.24059798 -75.30314798 -84.77172364 K 25.38348180 22.98932814 20.98341465 98.63160669 -16.21553585 -128.73500532 K 25.60989136 20.95587345 22.15454496 91.78982473 -81.18973332 -28.10029609 K 24.26531571 22.39633887 22.27328590 -55.66050519 0.89108557 34.80579958 K 21.07022621 24.18066275 20.70641190 -94.20680486 5.33497668 -70.08033643 K 22.76767637 25.21243667 20.79960156 -134.93908031 183.63484475 -94.12005125 K 22.31063459 24.17842378 22.64553500 31.96625461 -99.65518573 -99.78484286 K 21.14594781 25.45785282 22.74717822 -174.69750382 138.76541082 -94.70643375 K 23.78013645 24.27652831 20.73012412 90.96869934 -138.28129748 -132.21954412 K 25.29215497 25.65055857 21.16186092 120.98773795 88.76348958 -77.54790743 K 25.60385572 23.89694260 22.66900197 109.55485005 11.86353117 30.48350035 K 24.01898035 25.32377323 22.25787668 -0.58677106 104.27658770 89.81978548 K 21.29338723 20.73348799 23.83184279 -122.91658337 -86.86097969 32.89484116 K 22.41380054 22.73598149 24.19843311 10.09979660 -83.55412179 -104.63700315 K 22.70500540 21.07855587 25.20693653 -39.90577126 -167.92000973 69.30056061 K 21.14283106 22.31428451 25.76838441 -122.08811873 -36.46371602 95.91291431 K 24.54906140 20.73956860 24.13875033 -76.77794545 -191.40803902 -80.15940821 K 25.34500492 22.02713464 24.22491354 135.32435329 114.31071267 -51.46204986 K 25.46546017 20.87675125 25.53607761 103.62240688 -85.20303551 164.08499464 K 23.73867883 22.28243442 25.58968929 80.06324314 20.34695304 143.10247517 K 21.21863911 24.01551126 24.23624620 -212.93645912 -55.85053047 2.79818437 K 22.26322458 25.32386925 23.90022344 68.00907325 212.30508631 77.20359234 K 22.55762453 23.75463684 25.59325006 -0.68499675 69.05028120 205.30152543 K 20.93926330 25.31382609 25.50882294 -77.36562183 87.01924139 102.91980034 K 23.77434801 24.29645183 24.27852494 66.28527536 -24.02072709 -45.85072621 K 25.48026295 25.45300620 24.15546484 102.43043834 95.67149817 -11.54094202 K 25.41995536 23.71038052 25.30703665 97.79363003 7.40181548 92.86191530 K 24.00879921 25.61434322 25.48775585 -2.63653958 116.37941351 118.09300965