32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=81349.0000702424 stress="-382554.96596930956 39639.75159676929 22279.300287592814 39639.75159676929 -313535.59347318823 -28243.859717302665 22279.300287592814 -28243.859717302665 -300080.6107404663" pbc="F F F" Md 0.27121628 -0.03825944 0.18356405 -9884.13077256 -6635.81603032 -6514.03502184 Md 1.36987712 1.39251056 0.16408371 -84589.97171349 75782.59996724 13815.73367366 Md 1.36236833 0.06372013 1.60195928 4852.84054536 -7527.67530840 3523.37015792 Md 0.29425963 1.71217993 1.88008844 -15772.36999998 -7625.72021724 -6356.41859302 Md 2.51512847 0.50629886 -0.05864698 90283.10501807 -69855.55310942 -19784.10542180 Md 4.62690963 1.75577162 -0.11101682 654.81793051 -488.36581528 -338.99434928 Md 4.33409365 -0.19463666 1.80993658 4202.99754022 -4055.02252429 -3784.70971500 Md 3.03427950 1.28246304 1.76392017 10226.21190246 10754.22665167 -23990.17240731 Md 0.04908503 3.07913865 0.20724160 -12796.72870008 -25702.07278161 -10994.63240927 Md 1.14622546 4.32940479 0.01044600 15075.84388979 15799.10592535 -6166.13814418 Md 1.60937668 2.89541257 1.81254991 8368.90052582 8884.77397400 -6553.77865958 Md -0.06614072 4.23801749 1.43755406 -6090.80856571 19385.55204163 5109.88879112 Md 2.84628404 3.02908627 0.00545471 -4476.57120655 -17624.30366135 -15385.19369629 Md 4.57160709 4.28213715 0.23849245 28777.36246368 7891.14920796 -25766.30438454 Md 4.46540641 3.26151441 1.63927112 23559.59672952 -36516.22198479 -31502.10735322 Md 3.16731930 4.28049778 1.04144218 -30527.24323176 24844.32330103 25176.22909368 Md 0.10912387 -0.03239432 3.11623618 -29195.52389524 3060.18563777 -30501.87011146 Md 1.73413487 1.37497573 2.86828356 -11118.30739015 5403.61411119 18743.14845177 Md 1.11295233 -0.20312850 4.32553567 27099.04161495 -5688.30650470 32952.02109452 Md 0.19461163 1.72021928 4.49053804 -860.35224825 569.69833772 956.42688266 Md 3.09220926 0.29922877 3.13948858 -1611.77447983 -19267.85998664 12733.61104066 Md 4.64117621 1.43381614 3.02003673 6567.08362613 6685.16419839 -5058.96373540 Md 4.44230545 0.20904963 4.33922246 5979.85455422 -6928.05467038 10111.25104588 Md 3.24233234 1.79069635 4.40145620 -8016.49491811 -5626.60056860 3672.06950035 Md 0.11736419 3.25706603 2.85168205 -4629.64880355 -5898.80711787 12692.77058111 Md 1.57144751 4.58799901 3.19668628 3790.69776762 5263.29143302 -6536.59682618 Md 1.79681521 3.29952608 4.52848532 -12729.94252333 -16283.29356381 2650.86417191 Md -0.05109141 4.62420603 4.09914596 -5215.22764558 4043.82904248 5938.11437910 Md 3.29493095 3.14069788 2.74932010 -22964.84127955 -2937.21327449 21921.68532847 Md 4.76924972 4.41706779 2.70685615 9159.90051112 27886.10959487 23609.79715566 Md 4.33123098 3.16713916 4.46806230 9470.15657373 6540.83474975 2409.23424725 Md 2.94117681 4.52549708 4.64491797 12411.52618053 15866.42894512 3217.80523265