108 Lattice="12.116800973339277 0.0 0.0 0.0 12.116800973339277 0.0 0.0 0.0 12.116800973339277" Properties=species:S:1:pos:R:3:forces:R:3 energy=-698.1767587279999 stress="-0.011214661211476913 0.0005339130881177636 -0.0014938976765861774 0.0005339130881177636 -0.011632554514267054 -0.0004636910327799921 -0.0014938976765861774 -0.0004636910327799921 -0.011559373746556498" free_energy=-698.1767587279999 pbc="F F F" Nb 0.03364561 0.03745944 0.03820161 0.13448967 0.35750514 0.31326129 Nb 1.99258616 2.00026739 0.00578263 0.34475744 0.31823077 -0.55325139 Nb 1.99362616 0.01415375 1.99159483 0.30064135 -0.53571590 0.39533146 Nb 0.00221382 2.04960944 1.99434244 -0.57725045 -0.18905247 0.31484092 Nb 4.06825946 0.03984200 0.02199424 -0.25087625 0.16445113 0.11482978 Nb 6.07582028 2.01844680 0.03812073 -0.11649749 -0.22412950 -0.87500389 Nb 6.02142670 0.00733539 2.03827468 0.46914809 -0.97715695 -0.27523236 Nb 4.07851542 1.98168751 2.05880747 -0.46563986 0.34856045 -0.47464544 Nb 8.11435940 0.03183717 0.00394895 -0.36473983 0.26880686 0.58151901 Nb 10.08026395 2.02345814 0.04036205 -0.19901922 0.22156743 0.15295851 Nb 10.13427310 0.02699637 2.00688712 -0.52310337 0.27633340 0.21494617 Nb 8.07158661 2.00802091 2.02539214 0.24262429 -0.22726173 0.02553760 Nb 0.01395597 4.06520060 0.05465698 0.22650010 -0.29033595 -0.33104415 Nb 2.04448242 6.04966407 0.00275070 -0.36235681 0.27567247 -0.78127261 Nb 2.04624248 4.05718958 2.01461098 -0.21728944 -0.16747167 -0.01110634 Nb 0.02291976 6.01834222 1.99715519 -0.65103028 0.49048535 0.32122847 Nb 3.99245483 4.03539504 0.01357708 0.26925107 -0.24171440 -0.79289538 Nb 6.02545991 6.04113348 0.02981462 0.14907462 -0.24363886 -0.93624556 Nb 6.07801309 4.00857952 1.98119169 -0.24805479 0.24296913 0.35892955 Nb 4.00712007 6.07809773 1.98379069 0.30551484 -0.13283266 0.21146486 Nb 8.04747908 3.99956230 0.01949985 0.56447569 0.46467798 -0.70793788 Nb 10.08995685 6.09786042 0.01806176 -0.49593413 -0.35024165 0.37441170 Nb 10.09042031 4.01661818 2.02313863 0.51984332 0.14617427 -0.15472264 Nb 8.05261157 6.10914177 2.03760474 0.35189769 -0.40712595 -0.27755737 Nb 0.00263007 8.10782954 0.00444554 0.74725746 -0.13277509 0.62251731 Nb 2.06695830 10.12660631 0.00772492 -0.05394859 -0.73675963 0.68080862 Nb 2.03187507 8.06406551 2.03101420 -0.25454374 0.38587781 -0.49819542 Nb 0.04038815 10.07677786 2.04541130 0.39750676 -0.31617531 -0.21177816 Nb 4.08405528 8.07055056 0.02782242 -0.27728881 0.38839248 -0.94170917 Nb 6.09265145 10.13066291 0.01594747 -0.17731424 -0.32967683 0.22707577 Nb 6.07093157 8.06224231 1.97401775 -0.11085536 0.31256581 0.23186603 Nb 4.07190238 10.06033313 2.04397251 -0.06914936 0.69984876 -0.27391735 Nb 8.04177157 8.05137060 0.00347047 0.51080519 0.41756178 -0.59394382 Nb 10.11566335 10.07454575 0.00347390 -1.20702599 -1.13059974 1.08729406 Nb 10.12877490 8.05839489 2.03047795 0.42728580 0.43066049 -0.24840222 Nb 8.05351099 10.08596497 2.02125815 0.54147857 0.60734782 -0.37084210 Nb 0.02059343 0.03085692 4.07682695 0.13933616 0.25075592 -0.33526020 Nb 1.99209658 2.03964430 4.03939960 0.04087266 -0.24877228 -0.03537608 Nb 1.97977983 0.01692860 6.07759121 0.55086538 -0.67928070 0.01796201 Nb 0.00346368 1.99513409 6.09516755 -0.77581549 0.38174083 -0.18902656 Nb 4.04498939 0.02467390 4.03607533 -0.44180777 -1.05808511 0.13676645 Nb 6.03323897 1.98372420 4.02480498 0.40318460 0.28069003 0.21508677 Nb 6.02441829 0.00307457 6.03451681 0.19975013 -0.80702280 0.16252009 Nb 4.06998286 2.02796723 6.02086919 -0.25207837 -0.22492968 0.14815857 Nb 8.04340673 0.00819787 4.01533471 0.33822764 -0.62832526 0.06395151 Nb 10.12554358 1.98179637 4.03362507 0.46620741 0.25281099 0.15294273 Nb 10.07700319 0.02433366 6.08039458 0.07903345 -0.01079265 -0.24968519 Nb 8.10954368 1.98116585 6.07175732 -0.21599528 0.31499026 -0.40791320 Nb 0.01291116 4.00176428 4.05810748 -0.75599633 0.22688563 0.02805515 Nb 2.04864773 6.06183750 3.99520027 -0.20226040 -0.18327223 0.20225381 Nb 2.03182074 4.03737278 6.09275659 -0.05801015 0.04548023 -0.12552950 Nb 0.01961221 6.08988540 6.02688574 -0.71364824 -0.18209385 0.07941637 Nb 4.00378489 4.02271908 4.03635563 0.08174439 0.11555373 0.04907752 Nb 6.02948521 6.07275126 4.07292226 0.04786936 -0.06234974 -0.09173684 Nb 6.04397532 4.02036517 6.09205673 0.14545162 0.08155564 -0.14495692 Nb 4.06172986 6.13299112 6.07481231 -0.28557353 -0.31240819 0.06636207 Nb 8.08136866 4.05928490 4.00733216 0.05347578 -0.11379954 0.06643275 Nb 10.11076160 6.02998591 3.98897017 0.69402435 -0.01160200 0.09680597 Nb 10.07552998 4.07151913 6.09491260 0.85727754 -0.23848539 -0.26509361 Nb 8.10868056 6.02718626 6.07907430 -0.22579297 0.37577056 -0.21075760 Nb 0.03758900 8.05191652 4.00201686 -0.68890409 0.29420427 0.23588129 Nb 2.05024894 10.12082025 4.00461317 -0.10014437 0.52697280 0.32549477 Nb 1.94706289 8.11471812 6.07636565 0.41660018 0.08327348 -0.30499579 Nb 0.01291433 10.13445702 6.07324565 0.07878121 -0.38305236 -0.53853028 Nb 4.02161122 8.05363376 4.03061797 0.00889885 0.22558877 0.04495375 Nb 6.06871837 10.06915807 4.01779138 -0.03017137 0.71619712 0.20917999 Nb 6.01361133 8.09981112 6.07965341 0.52679004 -0.02927517 -0.30181871 Nb 4.05928995 10.10875326 6.06345867 -0.27378054 0.70333827 -0.21018597 Nb 8.09750145 8.10826426 3.97055011 0.02691571 -0.14930166 0.56223900 Nb 10.08701910 10.11465851 4.04282506 -0.14070651 -0.29943592 -0.21275267 Nb 10.12953635 8.04119499 5.98952938 0.48707519 0.06352535 0.07063580 Nb 8.11137086 10.06386368 6.01989518 -0.23712753 0.53566376 0.10339827 Nb 0.01856293 0.04550630 8.07483514 -0.08065038 -0.14706029 0.09248096 Nb 1.99630902 2.00218957 8.10483820 0.17561933 0.15178773 -0.05171562 Nb 1.99378813 0.00823519 10.07310300 0.22028122 0.17964217 -0.19296286 Nb 0.01058274 2.01084945 10.09221579 0.09312167 0.14674095 -0.34319412 Nb 4.06092892 0.02063607 8.11024102 -0.27969540 -0.67574944 -0.29972386 Nb 6.07940308 1.98317723 8.05674018 -0.00426731 0.02661645 0.26163177 Nb 6.04826291 0.01396991 10.07566791 0.28207406 0.31514557 -0.13677107 Nb 3.99869768 1.99132895 10.10219778 0.18198547 0.27104799 0.66845388 Nb 8.11286172 0.02721234 8.06218993 -0.26258926 -0.65084293 0.45144548 Nb 10.07728399 2.05953340 8.05777053 0.65595916 -0.26849921 0.40033714 Nb 10.06591909 0.03197913 10.10101859 -0.74584430 0.88400374 -0.89954333 Nb 8.08984661 2.04539305 10.12464386 -0.04340932 -0.17161680 0.41655912 Nb 0.01632453 4.05571934 8.04004210 -0.62158903 0.02253880 0.24749608 Nb 2.05663534 6.08885970 8.10126347 -0.11944245 -0.10166772 0.17006576 Nb 1.96501581 4.00031310 10.11804566 0.29360603 0.26937558 0.38920890 Nb 0.01367565 6.07186792 10.07987941 0.35727071 0.00876408 -0.36754831 Nb 4.04369619 3.99846773 8.04213629 -0.12180124 -0.01243201 0.42237195 Nb 6.06010094 6.02909429 8.14666645 -0.21129897 0.30406277 -0.37298368 Nb 6.04640411 4.06937350 10.09800998 0.00466044 -0.56111561 0.89025820 Nb 4.04534921 6.02876260 10.13129413 -0.26681013 0.10235394 0.54750712 Nb 8.03777680 4.01538184 8.08357539 0.14441190 0.03305695 0.11873616 Nb 10.06928876 6.07345264 8.10499736 0.69151814 0.21469258 0.04474415 Nb 10.07150239 4.06116952 10.06246690 -0.20947287 -0.06541837 -0.12444292 Nb 8.05701819 6.06260433 10.08421928 0.34945789 0.18727327 0.82834095 Nb 0.02697756 8.11035239 8.07085251 -0.88981072 -0.26022347 0.12611732 Nb 1.98257864 10.12113322 8.03879655 0.46485401 0.62082269 0.46891915 Nb 2.01672102 8.10641724 10.06849662 0.17746099 -0.08894560 0.56122472 Nb 0.01871106 10.06138920 10.07149083 0.59835195 -0.43620939 -0.58653262 Nb 4.06079526 8.10465181 8.07282012 -0.24076843 0.12629671 0.45781047 Nb 6.04210614 10.07624248 8.04377215 0.18853267 0.82037601 0.51106014 Nb 6.05709740 8.07920543 10.12830254 -0.26454102 0.08161866 0.49957695 Nb 4.00482252 10.11351414 10.12711631 0.14259607 -0.42880358 -0.66356119 Nb 8.04788418 8.04259827 8.05521746 0.43288791 0.38362908 0.31130779 Nb 10.08883909 10.07695700 8.00921124 -0.62878041 -0.76551328 0.34775792 Nb 10.12020358 8.11040575 10.12597098 -0.85495551 -0.08107575 -0.80449392 Nb 8.04631775 10.06133272 10.08587177 0.26587448 -0.47241045 -0.72301195