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=522.4519155396524 stress="-0.005706534269221198 -0.0015202214764533863 -0.0021274198874885494 -0.0015202214764533863 -0.0045520535372156066 7.627474859473067e-05 -0.0021274198874885494 7.627474859473067e-05 -0.004262232698724705" pbc="F F F" Re 35.22086729 34.98310996 34.77096654 -16.35064805 -16.55601364 -21.33655055 Re 36.15142137 35.93572417 35.98055861 -12.39819280 -52.71097395 64.49051574 Re 36.67756578 37.22516294 35.23402360 25.19981394 70.09879364 -40.93066429 Re 38.60714772 38.38846909 36.18004449 -30.01244338 7.69733671 -46.63159788 Re 37.66099888 35.43120791 38.14671993 -169.80937130 -67.90699777 -110.83421542 Re 38.78275119 35.88656467 38.85899891 159.54888726 84.01685255 78.33471578 Re 34.86273032 37.66171571 38.07174639 -1.77274610 -1.81596747 -3.66068386 Re 36.55604684 39.07636534 38.99475015 -102.10875140 262.93327063 -152.21431553 Re 40.05873752 35.10223056 35.25284888 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24.32879058 2.68042059 Re 35.45513434 42.76658579 38.09838853 2.50649867 -56.64694152 -44.02445425 Re 35.43178527 44.02576498 39.11824152 0.16295847 52.18645715 46.49366024 Re 40.02960540 40.64290765 34.70374204 -0.53893143 1.55279852 3.45885374 Re 41.60365422 41.12475624 36.89236521 -55.34129614 59.24327743 -41.77407138 Re 41.89441790 42.95778464 35.21154494 -16.83692668 -4.22610521 -5.61969018 Re 43.71638199 43.49207206 35.87683091 13.97002594 2.93242864 6.62213957 Re 42.53026161 40.09122498 37.61912135 -37.02288415 -99.20398036 23.53038696 Re 43.81761936 40.81177722 38.09615174 84.51290822 48.14658681 31.95440356 Re 39.66448343 42.68403127 37.11226018 144.10834696 -91.06519087 93.55646750 Re 40.97555741 43.51974443 38.82071427 -33.84061774 13.26776489 -18.82813839 Re 35.47021830 35.28385994 39.13921903 -1.66499873 1.14792952 0.94063305 Re 36.60375298 36.52492389 41.15965068 -6.50155085 12.70328507 -6.92606408 Re 37.00297454 37.99791377 39.62151619 111.21620041 -257.38991032 144.49273824 Re 38.88279835 38.70029955 41.56809651 -8.77745384 -2.62426907 20.16399720 Re 37.24461314 35.06060018 42.12389558 6.41993976 -21.10972395 8.52932689 Re 38.71803191 35.98191809 43.68127828 -23.15112991 -24.88981514 29.37293303 Re 35.13825790 38.07984378 42.52824247 -8.24398262 -5.53640308 -7.27514107 Re 36.49925153 39.29583664 43.54655608 -711.14396167 -532.47143822 174.44807156 Re 39.41284510 35.31609597 40.40966620 8.65322281 -11.41335908 32.25340462 Re 41.48837336 36.00831489 41.43404765 -62.01431967 106.65244766 -53.70873750 Re 42.84911873 37.33044694 40.00188161 -14.44274458 6.70858270 1.80648319 Re 43.55001876 38.49425818 41.48975212 4.87237894 6.57420180 12.66529167 Re 42.20384740 34.85081933 42.03810700 65.40931655 -107.46422744 54.61248087 Re 43.48589018 36.00907123 43.88344966 -0.71275689 1.51831369 -1.04791848 Re 39.67753438 36.98247057 42.68814946 26.71519190 20.56402243 -21.50951998 Re 41.25448042 39.01508942 43.75234525 -1.45206297 0.02905360 -1.83975283 Re 34.74337686 39.85362037 40.18467774 -27.46193571 -46.85680602 -6.46474237 Re 35.46691157 41.32905582 40.50773197 27.95963997 30.07765540 -13.45604998 Re 37.64811637 42.21827495 39.80335328 -22.94661344 -26.73685281 -29.75998569 Re 38.43823994 43.28337470 40.87827378 21.40844155 28.26144735 29.76689851 Re 37.36102597 39.94186987 43.34470429 708.64786685 531.53033560 -171.40406100 Re 38.94759636 41.22705793 43.57965198 6.27596196 4.69966921 5.19168545 Re 35.10370114 42.39277869 41.93558816 -14.30471189 9.14482857 10.98072099 Re 36.27149240 43.36231771 43.26228407 11.07492579 6.40181208 9.21756123 Re 39.21732416 39.40722638 39.88373188 -4.21800214 -1.19276452 -0.04845639 Re 40.89974943 41.22892384 41.12165250 60.82987205 -111.81600269 -129.19491883 Re 42.34497277 43.00001753 39.71375535 34.55836992 -16.37338269 20.57355085 Re 43.51765695 43.64801282 41.75079291 -0.75975889 -1.42994530 4.07981581 Re 42.90339659 40.57989061 42.64934966 -160.40110896 -91.14500810 -310.83146289 Re 43.47830542 40.92463545 43.76389062 158.98330079 96.07437586 309.84612937 Re 40.39757659 42.11536967 42.13716159 -55.27573620 115.13504794 122.59905736 Re 41.48994638 43.98890137 43.70522108 0.86302236 -1.56524253 -1.53832962