32 Lattice="5.704065019210477 0.0 0.0 0.0 5.704065019210477 0.0 0.0 0.0 5.704065019210477" Properties=species:S:1:pos:R:3:forces:R:3 energy=8186.40294295995 stress="-179.32084009183478 3.8231795659313694 1.2898565850265284 3.8231795659313694 -179.55373296795375 1.557818343650902 1.2898565850265284 1.557818343650902 -178.3983116673333" free_energy=8186.40294295995 pbc="F F F" Kr 0.00673414 0.03706308 0.01575455 -774.08294392 -904.75945842 -735.91556043 Kr 1.41277997 1.36930146 0.00193878 194.98546314 345.59979222 -1241.35593992 Kr 1.47110750 0.01671371 1.42354969 -9.34750885 -1536.03126719 82.38723524 Kr 0.02046049 1.33856565 1.46338564 -1380.43335024 585.89744349 -387.63396070 Kr 2.85556861 0.02205041 0.03310372 272.37878273 -1013.61255024 -1072.56198694 Kr 4.28369713 1.47875435 0.01716908 1050.81584539 -273.58689760 -1078.33275249 Kr 4.32709097 0.04805975 1.42734838 891.96525289 -1040.01711569 92.81835018 Kr 2.90491924 1.37853725 1.45621324 -440.47371139 122.18993279 -28.64584133 Kr 0.05293336 2.85707982 0.04530518 -1353.82421904 -275.70587609 -1249.05466704 Kr 1.39583184 4.28561359 0.02724066 236.34536675 907.99021803 -1103.42987551 Kr 1.37047209 2.80228636 1.39213199 927.66013261 82.50144579 347.90812612 Kr 0.01464715 4.28243499 1.41282534 -923.98329473 992.52611266 340.23401114 Kr 2.85530949 2.79910650 0.00439708 -286.71123494 315.34510093 -1017.81650512 Kr 4.31012276 4.23045290 0.00833132 513.43073908 470.33761140 -476.63693823 Kr 4.24511508 2.79666343 1.46509170 1168.44187519 559.32572194 -9.68651648 Kr 2.81047345 4.33115933 1.39162251 272.42093562 754.55466859 225.65965994 Kr 0.00127580 0.00275037 2.79429977 -958.70124563 -1393.12319847 407.11571832 Kr 1.42999016 1.35795042 2.86235292 87.13465033 456.29698275 -303.41709868 Kr 1.39725473 0.04814343 4.29549320 -4.69923390 -1461.75528656 1155.95433573 Kr 0.05579709 1.39370524 4.23476133 -1389.37169671 318.70157422 1052.76675792 Kr 2.81914745 0.00118429 2.94085962 377.05193419 -1362.60006983 -454.57193815 Kr 4.31912716 1.42607825 2.88323778 1089.20029911 -130.55261758 247.02155916 Kr 4.23752380 0.00607369 4.30333587 690.53755475 -594.53005730 694.48904878 Kr 2.80229067 1.41716243 4.30048219 261.47641474 230.15515840 1348.52360257 Kr 0.05669086 2.81131135 2.79887526 -1458.95053151 215.50931761 221.93625424 Kr 1.47710435 4.25445618 2.90048603 -222.18819305 1295.63770159 -583.72784540 Kr 1.39802272 2.87559151 4.23214318 88.30785217 -257.84339563 1515.96633760 Kr 0.00207781 4.29102259 4.26088916 -672.03378638 550.93337083 493.79973576 Kr 2.81578880 2.75787814 2.84772328 142.87746252 536.58947218 -152.02385037 Kr 4.31673785 4.25028904 2.87280361 702.67640290 768.30674931 -264.72338657 Kr 4.22619499 2.86831808 4.29712677 989.23440753 -293.40536374 926.27266310 Kr 2.88006304 4.25081369 4.24711205 -82.14042133 1029.12477960 1006.68126757