108 Lattice="7.934826680300689 0.0 0.0 0.0 7.934826680300689 0.0 0.0 0.0 7.934826680300689" Properties=species:S:1:pos:R:3:forces:R:3 energy=25998.817144037665 stress="-211.58912495415345 -3.558552592207652 -0.262545615517798 -3.558552592207652 -210.68393659796698 -0.14902756751366228 -0.262545615517798 -0.14902756751366228 -211.641063375751" free_energy=25998.817144037665 pbc="F F F" Ar 0.01019976 0.03576818 0.02138062 -762.93015380 -674.04161040 -606.44323839 Ar 1.31114304 1.27293055 0.04868046 137.10212642 606.83106612 -1482.98584989 Ar 1.32041835 0.03064248 1.29017517 -87.99096804 -1367.67169786 502.68761650 Ar 0.02712635 1.36223443 1.31501267 -1101.07439949 -46.82473582 315.09538230 Ar 2.62208136 0.00623759 0.04330272 189.58398241 -953.83941888 -1051.37647373 Ar 3.93226791 1.36233888 0.00088515 322.37705216 -270.69754601 -1140.39697066 Ar 3.97581594 0.04447819 1.26996363 -175.56043746 -1043.63955870 314.81277243 Ar 2.61301887 1.31738483 1.28573942 239.01383236 138.41364315 562.63408850 Ar 5.34523268 0.03257508 0.02912283 -384.78085138 -980.44669507 -905.87992494 Ar 6.56668912 1.29516452 0.03526955 945.01100699 411.12049145 -888.21791302 Ar 6.59517873 0.03533314 1.36501758 1098.07272586 -1205.02604347 -178.35810366 Ar 5.30536437 1.27415780 1.38821829 -436.89289858 763.20691212 -490.28753082 Ar 0.03739250 2.62589993 0.02450631 -953.66741512 -71.13844445 -902.65276740 Ar 1.27539318 3.91508669 0.02863265 408.53080725 296.65801410 -1355.32717021 Ar 1.35755140 2.69001280 1.31544098 -350.42748907 -488.27173778 272.47074855 Ar 0.00175256 4.00797337 1.27779496 -1087.07251328 -341.71970475 429.95586080 Ar 2.66613354 2.66452369 0.02995263 -282.50787247 16.09329854 -1443.36299177 Ar 4.01002968 4.01341891 0.00017021 -198.30740404 -58.15440108 -829.65323691 Ar 3.92026143 2.62992969 1.28584129 667.11698551 124.74311091 558.46933191 Ar 2.64322869 3.91804247 1.32691905 334.20079404 674.35180070 84.45718202 Ar 5.25102211 2.69063772 0.00830887 220.75135540 -342.60807992 -743.50574087 Ar 6.59661791 3.92652660 0.01014915 948.21657410 -183.57464019 -771.90245865 Ar 6.65184067 2.56921229 1.37396917 804.58184284 290.51886809 -367.45445640 Ar 5.34077839 4.00740807 1.35135091 -319.55346268 -914.31348261 -74.71185069 Ar 0.02995251 5.26402803 0.00042710 -742.57992344 143.21577789 -981.44740921 Ar 1.29860879 6.63038087 0.01301756 196.03314526 638.19289876 -842.64372515 Ar 1.37401414 5.25428669 1.31861565 -263.05631644 0.44283778 27.95052371 Ar 0.00866826 6.56959674 1.27416200 -898.36377087 812.53607691 73.95310719 Ar 2.63217289 5.22045694 0.02483623 128.04166738 290.41255729 -1025.47361866 Ar 3.96432724 6.65660403 0.03267096 -84.01827165 481.87616164 -731.82024666 Ar 4.01797244 5.31496830 1.36834800 -694.14820288 -130.70892855 -640.59296128 Ar 2.60625652 6.59917318 1.32466295 224.20138388 1004.21345165 -158.53565713 Ar 5.34066664 5.24263616 0.05256700 -196.79403193 449.51493446 -1290.08422794 Ar 6.65901065 6.58409011 0.01905923 509.11606458 484.35146772 -526.24879096 Ar 6.64046733 5.24036397 1.30358492 1192.93170449 380.70526168 291.37643803 Ar 5.30571942 6.61723225 1.28170338 105.20736643 979.19422195 200.30336943 Ar 0.03658502 0.02041868 2.63390534 -801.51251780 -908.73258721 -84.09954064 Ar 1.33219502 1.30712348 2.65901367 73.39111019 369.58607884 -357.07866151 Ar 1.37485015 0.00347714 3.96519189 -397.40920288 -978.82813720 332.50695299 Ar 0.04886515 1.31077323 3.90977484 -1189.86779075 -12.48568955 475.93476728 Ar 2.59123477 0.03701808 2.67932370 565.65882496 -1242.82033874 -573.79908457 Ar 3.97420603 1.35563356 2.68178565 102.38710759 -130.77330578 -361.73398355 Ar 3.92839351 0.02509704 4.01435065 608.03608579 -1129.52751505 -438.55689709 Ar 2.69618839 1.33249960 3.90301720 -510.84783481 330.72687863 606.86839558 Ar 5.27180242 0.00295777 2.61517855 -290.65214345 -1227.42016335 435.17868873 Ar 6.61474757 1.28266325 2.62313882 1190.48279306 215.83465687 544.34722947 Ar 6.56893165 0.03065510 3.94607018 1048.27293563 -1110.42680422 36.55840109 Ar 5.34253889 1.28671818 4.00725326 -647.68067032 265.36109934 -256.58482595 Ar 0.03074225 2.66052631 2.65241629 -1221.04302082 112.29994672 -299.06871575 Ar 1.35437313 3.92553271 2.69032727 -177.67591674 578.13627708 -329.95507339 Ar 1.27630178 2.65524041 3.92269854 473.98617898 -239.15781675 603.26237448 Ar 0.02997414 4.01308352 3.99407131 -1378.70838421 -82.27922192 -376.39386109 Ar 2.64538658 2.68428808 2.63118963 259.09210527 -363.21126050 225.96562707 Ar 4.00344634 3.99969141 2.65387493 -478.92679753 -566.03758056 -68.83347462 Ar 3.97178211 2.64222766 4.01747833 379.30079970 -101.78086514 -314.37735668 Ar 2.66990965 3.94101152 4.01022871 -125.88617995 221.52528789 -328.17304791 Ar 5.33383618 2.60761555 2.68992292 -352.86001601 295.60452161 -203.73580637 Ar 6.65354266 3.93317493 2.61066585 918.86716936 -62.96115508 208.54277224 Ar 6.57615383 2.64783037 4.00981483 1171.84516206 158.34954675 -308.99334418 Ar 5.26042635 4.00191822 3.98276439 338.68253302 -762.60244545 -58.02514372 Ar 0.02325718 5.28205106 2.57973964 -992.51640864 -61.89355873 274.80035594 Ar 1.28244948 6.62748509 2.59616269 80.10621516 1040.02803154 144.28691589 Ar 1.31651344 5.31114486 3.92854254 116.72704229 -120.70749963 113.40137723 Ar 0.04252781 6.58868239 3.98142658 -1140.76189861 708.22566944 -257.23354530 Ar 2.61782249 5.32330162 2.64726201 277.59515562 -321.79510755 183.16572829 Ar 3.93996427 6.59183564 2.63499413 55.57530312 1085.68405776 242.03159394 Ar 4.02877661 5.25389420 4.01784589 -574.59433204 481.22601908 -358.75422052 Ar 2.59240816 6.61837689 4.00702791 321.20699804 1011.42490336 -356.46252809 Ar 5.24343312 5.24452780 2.60360130 805.81007585 668.41235904 525.49669103 Ar 6.58111480 6.63824155 2.64044280 780.11764793 504.01987395 -138.75788433 Ar 6.59149101 5.20465576 3.91552970 1048.26709681 362.01163363 82.34248611 Ar 5.30784459 6.63719346 3.91536672 -246.72277135 763.62199428 188.22097277 Ar 0.02446518 0.03966431 5.33265654 -681.54212249 -901.69116886 -231.62297676 Ar 1.31395243 1.34579033 5.31301808 299.96229395 -175.96301642 -459.44565527 Ar 1.41599343 0.00345445 6.61865082 -142.90086334 -713.93219221 683.27598909 Ar 0.01263031 1.33488504 6.57134333 -765.10699029 19.69727176 1077.98550298 Ar 2.67742676 0.00187998 5.24210378 -344.73220152 -873.11562346 466.27075060 Ar 3.97395807 1.28299349 5.33458037 -32.98986525 508.48087876 -295.76171907 Ar 4.00800972 0.02176732 6.59442788 -389.36641758 -1089.50794526 925.91075149 Ar 2.64016505 1.37096288 6.62225670 111.53067147 -433.44484931 957.41207311 Ar 5.34215874 0.02594489 5.32004331 -93.68542515 -1301.43957238 -186.51806945 Ar 6.62822180 1.34702840 5.27455156 1282.35051240 -215.58509325 320.22448350 Ar 6.65454837 0.00136758 6.60892444 532.60241252 -417.09437275 499.49480378 Ar 5.26483165 1.27443589 6.59670920 343.00109674 510.30315684 1286.81710700 Ar 0.02136407 2.66376553 5.31631317 -1087.34614558 -158.33756930 -351.56661950 Ar 1.27203014 4.00302208 5.24251414 873.43741968 -375.89527890 279.87822792 Ar 1.36830275 2.63936239 6.58115005 -227.67571433 292.78070411 1054.31390835 Ar 0.00594988 3.95244900 6.57934512 -808.34895856 -116.84835350 1054.39420604 Ar 2.66457775 2.61863945 5.25858099 -434.97285490 -15.65856544 33.18214082 Ar 3.94970462 3.90097550 5.31888185 186.74543648 351.75800887 -25.18995234 Ar 3.86695722 2.68511796 6.64185129 601.88193812 -408.76175953 1034.71151336 Ar 2.63945603 3.96254024 6.65214086 -272.77820229 308.26518589 733.82334640 Ar 5.33862972 2.60664638 5.32595074 -720.98325196 130.14728628 -167.08329862 Ar 6.62194001 3.93097324 5.33410874 969.84438448 423.37281006 -173.94254342 Ar 6.57581322 2.67710515 6.59719244 951.23524691 -345.61243401 1166.35794729 Ar 5.24602768 3.92418611 6.60605925 91.08825282 355.00761850 1046.44913190 Ar 0.03935120 5.26097033 5.33963197 -1337.12864728 456.53971169 -329.30865529 Ar 1.27505547 6.66346793 5.23870592 310.44471063 797.67381804 541.16473737 Ar 1.30661593 5.25337438 6.59586136 342.84448736 269.80762842 1027.60928939 Ar 0.00754775 6.60850037 6.59016437 -493.62759223 534.42859774 567.78567172 Ar 2.68067315 5.29004940 5.24524850 -532.90514662 -199.75562759 245.40504577 Ar 3.92974584 6.58776476 5.31173381 386.09662857 1211.88856391 -367.70149286 Ar 3.94673730 5.29299296 6.56363041 181.92662445 -253.23164318 1122.08111182 Ar 2.65577829 6.58980892 6.59882613 -337.72080596 733.50059264 760.55902153 Ar 5.30915352 5.25646690 5.26080783 143.57079771 219.42592222 482.64285456 Ar 6.58520852 6.60330849 5.24392664 741.56749367 617.21027740 36.37336067 Ar 6.65197042 5.32596498 6.64990602 511.37177451 -100.57587067 541.80883597 Ar 5.26556277 6.59389859 6.59591771 104.20253359 693.60899212 685.11172890