64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-9.027660367008632 stress="2.6825093414924814e-05 -4.17040848972478e-06 -3.545897802835238e-06 -4.17040848972478e-06 3.612472651139116e-05 -5.236789593201921e-06 -3.545897802835238e-06 -5.236789593201921e-06 2.2434218027281436e-05" pbc="F F F" user02 34.94467150 35.03945055 35.22460209 0.08546555 0.09295957 0.09115727 user02 36.08097680 36.29011047 36.40370364 0.15809461 -0.23286145 0.24010617 user02 38.31747482 37.36513908 34.94078489 0.01667184 0.06703547 0.05942145 user02 38.67940389 39.28524927 36.02484577 0.05630562 0.03894065 -0.04538990 user02 37.10892615 35.54129572 37.61950985 0.39067758 0.41829653 -0.03087251 user02 38.53697876 36.03921180 38.19748607 -0.62688208 -0.21823052 -0.21208807 user02 34.59158772 37.69787236 37.68697795 0.12111029 0.03275650 0.04508804 user02 36.20998276 38.77546212 38.64978313 -0.57619465 0.25343002 0.48806524 user02 40.16378247 34.96045942 35.64751182 -1.38071858 -1.10884085 -0.73516437 user02 40.94717336 35.59946850 36.07140976 1.38346584 1.13355152 0.76436195 user02 42.95871728 37.49765474 34.79478842 -0.00750033 0.01409326 0.03451230 user02 43.81755881 38.71730510 37.02658889 -0.33581649 0.10191406 -0.00820047 user02 42.56025150 35.00557377 38.19158240 -0.00770936 0.03790644 0.00626326 user02 44.15264646 36.92442688 39.13085238 -0.10194531 0.01668014 0.02915310 user02 40.57220884 37.98767428 37.93109112 0.48240392 0.27260491 0.23729861 user02 41.88691255 38.70430458 38.68640942 -0.39445810 -0.22072324 -0.40495908 user02 35.77138681 39.87233656 35.03872726 0.07252378 0.22072520 0.20102193 user02 36.08305129 41.24301996 36.26833933 0.07833650 -0.16291631 -0.17883755 user02 37.34221100 42.13745036 34.81032706 -0.04614812 -0.04164612 0.12213328 user02 38.76068054 43.61215807 36.02849009 -0.01026171 -0.05988950 0.00430774 user02 37.69748815 40.38062803 37.56278560 -4.94572401 -2.93947452 -5.06359284 user02 38.38376586 40.78401879 38.25419276 4.92397604 2.89108376 4.93542733 user02 35.17544554 42.82340940 37.86254086 1.45683592 1.65380814 0.87402306 user02 35.92426308 43.70819856 38.33500415 -1.42242445 -1.70524591 -0.89856885 user02 40.15460853 39.66886494 34.72302272 -0.12010270 -0.02725872 0.14230044 user02 41.18921003 41.75442519 36.10199563 0.03469217 0.03701860 -0.01296824 user02 42.62655945 42.45528369 34.70982480 0.00111265 0.03804032 0.13780143 user02 43.99440819 43.76407516 35.61249997 -0.08871305 -0.08414029 -0.05596668 user02 42.12411086 39.40180933 36.86054018 0.22198255 -0.20794878 0.21908753 user02 43.96954752 41.17401707 39.24441074 -0.32259985 0.26677435 0.30734439 user02 40.14184749 42.57827994 37.89912759 0.11673554 0.13836463 0.07625236 user02 40.97812412 43.85382418 38.99852777 -0.11616835 -0.19758601 -0.15518076 user02 34.82882674 35.64501135 40.04384195 0.15274751 0.08266695 0.19270478 user02 35.89726392 36.16684696 41.53653484 0.00986039 -0.02329603 0.13468149 user02 37.83986650 37.72513652 39.88950525 0.05892289 0.14786259 0.08986003 user02 38.74012187 38.91306742 41.12851009 -0.16757003 0.48288945 0.43230378 user02 36.99246240 34.96224082 42.28848304 -0.19228942 0.29404359 -0.11358743 user02 38.28934978 35.86680684 43.91724500 -0.04121631 -0.01609932 -0.06442590 user02 35.40830633 37.65894334 42.44779914 0.14384512 -0.24487342 -0.13439385 user02 36.40099931 38.94290657 44.02339764 0.00817146 -0.02942750 -0.10316497 user02 39.33411014 34.63610212 39.92054882 -0.01261681 0.04752727 -0.03510284 user02 41.55972261 35.90423471 41.42909874 1.02991632 -1.40503720 0.96353895 user02 42.18181134 36.99025285 40.24522317 -0.10640987 -0.25694432 0.27770082 user02 43.78951914 38.58240047 41.30660953 -0.11324556 0.06060991 0.01827211 user02 42.00909441 34.99987423 42.10531176 -0.81012036 1.77064313 -1.24042277 user02 43.29246801 35.54785224 43.82021980 -0.05959830 -0.02007133 -0.08116544 user02 40.08391681 37.84395611 42.72805550 1.15965202 1.31296446 0.74795630 user02 40.92363172 38.74208556 43.29846632 -1.16516538 -1.22363231 -0.88087144 user02 35.10787369 39.34705928 39.62945461 0.60417780 -0.32246748 -0.53512953 user02 36.66875575 41.22711073 41.36183366 0.26322684 0.69999271 -0.22610837 user02 37.34968703 42.54285092 40.76066037 -0.12363009 -0.43574579 0.45299777 user02 38.57073033 43.72767147 41.40465792 0.04637071 -0.66532082 0.35144417 user02 37.90530624 39.52458685 42.28839704 0.53008590 -0.23672992 -0.64070490 user02 38.91904012 41.07595803 43.19299805 -0.00784135 0.20628101 -0.23553048 user02 35.15022606 42.46428929 41.80278694 0.19406371 -0.09318890 -0.02534751 user02 35.99148042 43.26231946 43.97022181 -0.00626349 -0.01930257 -0.04898671 user02 40.09907101 39.77745306 40.55253123 -0.32906034 -0.21842533 0.25071600 user02 41.55977575 40.86835699 41.65496474 1.27817264 -1.25748086 0.63515822 user02 42.93746809 42.10106348 40.24473491 0.29496843 -0.24841509 -0.20331923 user02 43.75047023 43.72906789 41.45368998 -0.04169996 -0.08279024 -0.05707978 user02 42.49007377 40.02068788 42.15572203 -1.26611102 1.11728067 -0.71643936 user02 44.16864826 40.61800153 43.63714273 -0.05617422 -0.02087452 -0.05484651 user02 39.22958128 42.71683257 42.50553638 -0.32932882 0.11189536 -0.31692117 user02 40.68176578 43.76871597 44.00759837 -0.04286369 -0.03375600 -0.04712377