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=81349.00007024223 stress="-5.16352129858154 0.5350360597771567 0.30071401964680433 0.5350360597771567 -4.23193490812534 -0.3812204367414822 0.30071401964680433 -0.3812204367414822 -4.050326783560969" free_energy=81349.00007024223 pbc="F F F" Md 21.27121628 20.96174056 21.18356405 -9884.13077256 -6635.81603032 -6514.03502184 Md 22.36987712 22.39251056 21.16408371 -84589.97171349 75782.59996724 13815.73367366 Md 22.36236833 21.06372013 22.60195928 4852.84054536 -7527.67530840 3523.37015792 Md 21.29425963 22.71217993 22.88008844 -15772.36999998 -7625.72021724 -6356.41859302 Md 23.51512847 21.50629886 20.94135302 90283.10501807 -69855.55310942 -19784.10542180 Md 25.62690963 22.75577162 20.88898318 654.81793051 -488.36581528 -338.99434928 Md 25.33409365 20.80536334 22.80993658 4202.99754022 -4055.02252429 -3784.70971500 Md 24.03427950 22.28246304 22.76392017 10226.21190246 10754.22665167 -23990.17240731 Md 21.04908503 24.07913865 21.20724160 -12796.72870008 -25702.07278161 -10994.63240927 Md 22.14622546 25.32940479 21.01044600 15075.84388979 15799.10592535 -6166.13814418 Md 22.60937668 23.89541257 22.81254991 8368.90052582 8884.77397400 -6553.77865958 Md 20.93385928 25.23801749 22.43755406 -6090.80856571 19385.55204163 5109.88879112 Md 23.84628404 24.02908627 21.00545471 -4476.57120655 -17624.30366135 -15385.19369629 Md 25.57160709 25.28213715 21.23849245 28777.36246368 7891.14920796 -25766.30438454 Md 25.46540641 24.26151441 22.63927112 23559.59672952 -36516.22198479 -31502.10735322 Md 24.16731930 25.28049778 22.04144218 -30527.24323176 24844.32330103 25176.22909368 Md 21.10912387 20.96760568 24.11623618 -29195.52389524 3060.18563777 -30501.87011146 Md 22.73413487 22.37497573 23.86828356 -11118.30739015 5403.61411119 18743.14845177 Md 22.11295233 20.79687150 25.32553567 27099.04161494 -5688.30650470 32952.02109452 Md 21.19461163 22.72021928 25.49053804 -860.35224825 569.69833772 956.42688266 Md 24.09220926 21.29922877 24.13948858 -1611.77447983 -19267.85998664 12733.61104066 Md 25.64117621 22.43381614 24.02003673 6567.08362613 6685.16419839 -5058.96373540 Md 25.44230545 21.20904963 25.33922246 5979.85455422 -6928.05467038 10111.25104588 Md 24.24233234 22.79069635 25.40145620 -8016.49491811 -5626.60056860 3672.06950035 Md 21.11736419 24.25706603 23.85168205 -4629.64880355 -5898.80711787 12692.77058111 Md 22.57144751 25.58799901 24.19668628 3790.69776762 5263.29143302 -6536.59682618 Md 22.79681521 24.29952608 25.52848532 -12729.94252333 -16283.29356381 2650.86417191 Md 20.94890859 25.62420603 25.09914596 -5215.22764558 4043.82904248 5938.11437910 Md 24.29493095 24.14069788 23.74932010 -22964.84127955 -2937.21327449 21921.68532847 Md 25.76924972 25.41706779 23.70685615 9159.90051112 27886.10959487 23609.79715566 Md 25.33123098 24.16713916 25.46806230 9470.15657373 6540.83474975 2409.23424725 Md 23.94117681 25.52549708 25.64491797 12411.52618053 15866.42894512 3217.80523265