108 Lattice="3.7500014305114746 0.0 0.0 0.0 3.7500014305114746 0.0 0.0 0.0 3.7500014305114746" Properties=species:S:1:pos:R:3:forces:R:3 energy=508.08284690756705 stress="-124.05938439621619 -2.9529549384955884 -2.415704682938548 -2.9529549384955884 -125.32960986514573 0.8206100297829717 -2.415704682938548 0.8206100297829717 -123.62072824814312" free_energy=508.08284690756705 pbc="F F F" user01 0.01854150 0.02464669 0.01553567 -94.97287631 -85.46325317 -112.01427243 user01 0.64849440 0.64081216 0.00505689 -44.96815628 -56.77821655 -171.45280479 user01 0.62374292 0.01620423 0.61028865 36.90087497 -129.62478777 59.51149691 user01 0.01573568 0.64535743 0.60622445 -162.83951440 -19.52053992 58.30863959 user01 1.27015938 0.01034258 0.02459750 -17.59667162 -125.81236128 -122.56446680 user01 1.88947438 0.61013315 0.01345429 -58.22440192 89.25193994 -187.26168680 user01 1.88967992 0.00566046 0.63682164 -42.91163480 -158.99581952 61.41171886 user01 1.27277070 0.63478382 0.61970498 -78.32874787 -73.74266432 55.43107683 user01 2.47632526 0.01665918 0.00332532 31.68535998 -192.36265448 -126.59265504 user01 3.10242748 0.59068248 0.00643882 148.82097818 75.90036885 -157.65204735 user01 3.14517050 0.01487226 0.60243272 98.80283608 -141.79109536 36.79632800 user01 2.48999725 0.62102363 0.60799794 43.60605336 39.27971222 116.21313303 user01 0.02303919 1.27306008 0.01241474 -102.75249558 -5.63099868 -121.64172462 user01 0.62144522 1.90145867 0.02489400 64.09914108 -58.84273985 -173.05271681 user01 0.64191743 1.22605997 0.63291098 -33.54669620 82.01823764 44.21278441 user01 0.00797439 1.88964188 0.62786522 -137.95201581 -32.20600638 38.60588057 user01 1.23024800 1.23440107 0.00422676 83.58186493 91.37052023 -156.98329133 user01 1.88050678 1.88389674 0.00412228 -32.55571607 -65.87370254 -114.48672491 user01 1.85495870 1.23328023 0.63447889 69.29448087 103.56532801 -105.68386886 user01 1.24041058 1.87164425 0.63104094 45.67356823 16.77028979 -19.22269156 user01 2.52135976 1.23540824 0.00826085 -72.10632534 45.11538094 -185.91014244 user01 3.14078194 1.90637776 0.02024444 110.70566309 -27.52142681 -133.71355307 user01 3.10525447 1.26953738 0.60361464 199.62365692 -95.16426733 46.79451959 user01 2.50193177 1.86217811 0.61395316 -48.38196626 57.63210095 25.81887538 user01 0.00772592 2.49233769 0.00144385 -121.48723326 31.10457146 -109.97777465 user01 0.62318961 3.12915924 0.01604040 23.28704310 107.07025095 -107.03361570 user01 0.64929062 2.50875268 0.60882380 -43.32350647 -9.49783603 53.59819187 user01 0.00690383 3.10485143 0.63556131 -135.38648674 99.35686301 -21.21639136 user01 1.28019135 2.51705191 0.00065766 -29.77296670 -28.09876077 -124.36318745 user01 1.86234939 3.14778527 0.00023681 55.61736588 86.28774559 -64.78238955 user01 1.88913704 2.49732580 0.64629698 -33.23657642 -29.54477146 -36.07717082 user01 1.26981673 3.11282517 0.64654870 -44.97076761 164.14009636 -32.90205697 user01 2.49655079 2.48220115 0.01871634 -15.03818721 79.61026310 -166.90086948 user01 3.14631308 3.12377230 0.00522523 38.20688053 54.14335017 -58.51223592 user01 3.10782650 2.51090288 0.62571573 160.08741162 -21.87240424 68.27238733 user01 2.51388265 3.10027293 0.65279131 -34.88258591 171.12749317 -30.82353086 user01 0.01968339 0.00291276 1.26570429 -123.94621430 -125.48536295 -56.28411638 user01 0.61042250 0.61837758 1.26596523 71.59525303 59.90313560 -61.51610552 user01 0.62929521 0.01343453 1.88075845 -33.64601729 -211.97081006 11.84351074 user01 0.00935411 0.60761236 1.87256462 -177.91980547 56.10315819 37.00257335 user01 1.22510754 0.02371465 1.27315263 66.37194121 -161.21515282 -76.12329202 user01 1.85959871 0.64594909 1.24724319 54.41859314 -79.96550469 63.07032106 user01 1.89457101 0.01263784 1.87142813 -31.52908675 -178.89638420 -47.92822069 user01 1.23085974 0.60545677 1.89403671 44.38349551 142.21250078 -85.81990329 user01 2.53862346 0.00665876 1.22676489 -82.82812696 -135.77157057 3.27191117 user01 3.13623348 0.61325018 1.24957918 108.71620824 89.94181839 -23.14252106 user01 3.10356934 0.00706935 1.86625973 135.02614846 -128.24206227 38.96388900 user01 2.48973535 0.60355354 1.88325121 50.46897142 133.47799547 -46.49744721 user01 0.00228430 1.23024529 1.26997801 -151.73346358 41.57852869 -53.49794313 user01 0.60554169 1.87614860 1.25222139 63.87306375 -31.42054219 -30.90079431 user01 0.61095244 1.25642426 1.87638111 27.59862431 -48.47694213 0.31831171 user01 0.00583829 1.88771747 1.86521220 -182.70893720 -29.80555349 45.74183686 user01 1.26633431 1.26404421 1.23847290 -91.92441358 -34.00129589 94.14450978 user01 1.88353708 1.87265832 1.26345356 -86.65587251 42.43921974 -49.22477425 user01 1.89725629 1.26861746 1.86543772 -67.82145874 -82.85647381 58.69391858 user01 1.23772799 1.85730793 1.88037051 44.76108471 56.62979227 -34.86246847 user01 2.47650820 1.27310158 1.21775599 109.55261892 -106.16998376 80.43247016 user01 3.14184372 1.86457758 1.22507877 99.71526973 23.68897184 55.07160201 user01 3.14289161 1.24501949 1.88269715 68.76340363 -29.27291358 -44.22102208 user01 2.49128710 1.85965760 1.87769742 72.57586963 27.91439814 8.79525696 user01 0.00691771 2.49214004 1.26540802 -188.40339985 16.28181922 -54.04610877 user01 0.59785356 3.10060336 1.24642168 57.52106022 205.14837935 -21.35145581 user01 0.62133118 2.51700801 1.85147829 24.09834717 -61.13802431 81.05438543 user01 0.00255937 3.13153655 1.88753973 -134.20489377 105.08923682 -27.28643395 user01 1.23073384 2.49721922 1.24565169 66.88511567 -45.56722280 32.63380124 user01 1.87217640 3.11800325 1.24301705 25.24688309 147.87897664 56.44251938 user01 1.87844992 2.51365716 1.87498490 -62.99824677 -43.92390775 42.94763686 user01 1.23431718 3.12627421 1.85655465 30.17428876 132.24543570 19.57476329 user01 2.47628382 2.47694641 1.28508720 132.97222113 48.61067484 -59.39348404 user01 3.14968690 3.14469980 1.25669808 64.22574342 48.40982905 25.81336133 user01 3.13169768 2.48085393 1.89264966 107.64512875 17.24037405 -62.07081359 user01 2.50082242 3.13029212 1.88945621 42.55015298 107.65612769 -31.82477823 user01 0.01993232 0.02159534 2.50073513 -156.49893407 -193.76619813 15.73744708 user01 0.60401891 0.60332336 2.50968636 83.78874554 118.35841765 -29.92937358 user01 0.66541601 0.01331463 3.13396420 -51.71590725 -175.96288994 110.45254292 user01 0.01917664 0.60248605 3.13143150 -136.79405893 8.74575751 143.82888645 user01 1.24945035 0.01423298 2.47664995 23.35134528 -204.65923667 56.96457308 user01 1.86520419 0.62341757 2.47653172 29.55708257 56.80294541 66.13933407 user01 1.87907417 0.00259937 3.10944925 -39.17891730 -102.95662341 101.10756210 user01 1.23402380 0.61458651 3.11068096 85.19861457 71.69903242 127.76353879 user01 2.50315888 0.00897210 2.51229291 -11.68428765 -178.63122840 -38.50220943 user01 3.12470713 0.61451002 2.50781081 130.66005165 54.72787844 -29.25026780 user01 3.12670722 0.00593177 3.11485460 81.97065028 -86.79944167 92.84002253 user01 2.49415814 0.61045264 3.11030857 -13.07474257 68.24924849 154.70615642 user01 0.00599716 1.23717868 2.51864077 -135.46485083 9.11642634 -43.98822339 user01 0.60733908 1.89480956 2.46657124 44.40273705 -71.52057604 79.39723901 user01 0.61216424 1.23267656 3.14436342 35.33654025 50.02557710 94.96418216 user01 0.00102616 1.88424209 3.10032979 -115.30645049 -31.71625459 116.29272195 user01 1.24060638 1.23603218 2.47767478 -1.63651456 36.02689295 64.38114379 user01 1.88236003 1.88848288 2.51546528 -56.10247941 -46.84743171 -58.64841682 user01 1.86049602 1.25447838 3.13316587 28.29925046 -39.63328251 105.40489644 user01 1.25387498 1.85648807 3.13044758 -58.50870662 24.49090826 94.31614423 user01 2.49638373 1.27283157 2.52415657 -28.84594267 -97.07145182 -63.51819626 user01 3.12362503 1.85401225 2.48444039 162.94198260 47.58616540 40.49185203 user01 3.10827830 1.26456093 3.12168542 121.13332489 -38.83694422 123.46959662 user01 2.51382316 1.89242597 3.11852051 -2.50509411 -43.71208490 192.11195103 user01 0.01895652 2.51799311 2.51183084 -201.72444485 -14.35738068 -62.89113662 user01 0.61527141 3.12085279 2.48030551 50.39914936 149.92249433 39.55591271 user01 0.60856401 2.48712530 3.11230882 78.12686091 26.62629188 166.38812235 user01 0.00098522 3.13375334 3.13245174 -51.04962661 67.27615528 62.77009931 user01 1.23848709 2.48271683 2.49509454 35.45678237 54.06779685 11.85496462 user01 1.88008362 3.13570527 2.48127215 -35.17706640 89.52805214 55.36608626 user01 1.89238922 2.47914333 3.13235993 -75.19883101 74.13063620 125.56910628 user01 1.22642314 3.14292065 3.10986505 27.50394504 54.27926280 74.73590699 user01 2.51074215 2.47719355 2.51404066 -12.04098505 88.04640797 -60.14965656 user01 3.13890982 3.10096504 2.50750741 78.21369526 115.08428882 -5.33210205 user01 3.12158609 2.51979348 3.14121402 106.19379921 -32.79070794 99.40896821 user01 2.48431910 3.12663905 3.14260654 2.39608287 90.80022530 62.21256620