Stage_1/POSCAR output for 742: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738
Status:
finished
MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738
1.0
13.47073921 -0.03367685 0.00000000
-0.03367685 13.47073921 0.00000000
0.00000000 0.00000000 13.47073921
C N O H
110 10 25 52
Direct
0.93542646 0.44479514 0.88096049 # 1 C1
0.02203687 0.49657589 0.92534094 # 2 C2
0.02854286 0.59118358 0.88243397 # 3 C3
0.94832845 0.59981985 0.80593766 # 4 C4
0.09706938 0.66116353 0.91493566 # 5 C5
0.15732537 0.63023268 0.99273968 # 6 C6
0.15184536 0.53490693 0.03421754 # 7 C7
0.08445104 0.46425539 0.00097857 # 8 C8
0.21510874 0.53244806 0.12447584 # 9 C9
0.22381288 0.69173743 0.05521859 # 10 C10
0.27168597 0.67303351 0.23087156 # 11 C11
0.34096993 0.74910362 0.24137182 # 12 C12
0.34723347 0.80194825 0.33028471 # 13 C13
0.28381705 0.77709265 0.40813683 # 14 C14
0.21489744 0.69987126 0.39821249 # 15 C15
0.20883475 0.64789732 0.30991722 # 16 C16
0.33149095 0.91086464 0.52086989 # 17 C17
0.43453635 0.91844268 0.52315684 # 18 C18
0.47773030 0.00232070 0.56566604 # 19 C19
0.41759917 0.07711706 0.60473787 # 20 C20
0.31420411 0.07005299 0.59913780 # 21 C21
0.27155192 0.98675735 0.55691865 # 22 C22
0.53312108 0.15308299 0.73059833 # 23 C23
0.54185194 0.25472754 0.77309933 # 24 C24
0.47051174 0.31511837 0.72793362 # 25 C25
0.41963620 0.25601400 0.65069399 # 26 C26
0.45525222 0.41386108 0.75421721 # 27 C27
0.52014337 0.44969348 0.82589567 # 28 C28
0.59296203 0.38986092 0.86920625 # 29 C29
0.60566153 0.29009237 0.84610962 # 30 C30
0.65630515 0.45322935 0.93260204 # 31 C31
0.53442006 0.55306918 0.86191879 # 32 C32
0.68752041 0.63569572 0.93200274 # 33 C33
0.76211212 0.63126491 0.00418460 # 34 C34
0.83564879 0.70345981 0.00631795 # 35 C35
0.83332384 0.78176593 0.93885745 # 36 C36
0.75635693 0.78955901 0.87006668 # 37 C37
0.68355763 0.71643105 0.86618657 # 38 C38
0.93393715 0.88880830 0.03151963 # 39 C39
0.03337514 0.89864247 0.05935184 # 40 C40
0.05702094 0.92814334 0.15617261 # 41 C41
0.98051364 0.95030552 0.22241711 # 42 C42
0.88146476 0.94842218 0.19053081 # 43 C43
0.85778274 0.91665154 0.09608538 # 44 C44
0.93220143 0.91443972 0.39274750 # 45 C45
0.93615209 0.96746264 0.48778681 # 46 C46
0.01433600 0.03582047 0.48293948 # 47 C47
0.05009657 0.03976555 0.37713725 # 48 C48
0.04545216 0.08710925 0.56711958 # 49 C49
0.98850191 0.07177604 0.65247079 # 50 C50
0.90215698 0.01501131 0.65067353 # 51 C51
0.87501113 0.95692788 0.56983423 # 52 C52
0.85063950 0.02280236 0.74682210 # 53 C53
0.00351000 0.11084880 0.75743252 # 54 C54
0.88520912 0.10943759 0.90699482 # 55 C55
0.78503437 0.11038942 0.93654901 # 56 C56
0.75799149 0.14333937 0.03083266 # 57 C57
0.83014572 0.17781665 0.09670312 # 58 C58
0.92997249 0.17544298 0.06883155 # 59 C59
0.95761073 0.14061867 0.97556875 # 60 C60
0.72662866 0.25128016 0.22742931 # 61 C61
0.65627304 0.29911290 0.16785749 # 62 C62
0.57705457 0.34968546 0.21179925 # 63 C63
0.56744891 0.35280028 0.31473824 # 64 C64
0.63753515 0.30374783 0.37406126 # 65 C65
0.71629674 0.25289379 0.33104831 # 66 C66
0.40159118 0.39924468 0.40131369 # 67 C67
0.38119951 0.48393874 0.47170869 # 68 C68
0.46358339 0.54729818 0.47098703 # 69 C69
0.53355747 0.51104073 0.39457465 # 70 C70
0.47453467 0.62743568 0.53540664 # 71 C71
0.39516757 0.64285479 0.59923497 # 72 C72
0.30949597 0.58458032 0.59633420 # 73 C73
0.30011895 0.50269917 0.53340087 # 74 C74
0.23511299 0.63096233 0.66384246 # 75 C75
0.38051529 0.72445979 0.67165651 # 76 C76
0.22737224 0.80099504 0.74361909 # 77 C77
0.12612700 0.81243280 0.72346642 # 78 C78
0.07643797 0.89922373 0.74956287 # 79 C79
0.12866613 0.97939481 0.78966398 # 80 C80
0.22739657 0.96480140 0.81840418 # 81 C81
0.27621941 0.87595197 0.79737426 # 82 C82
0.11074333 0.27068584 0.74654090 # 83 C83
0.00684891 0.22774736 0.75774031 # 84 C84
0.93294318 0.26681605 0.68436054 # 85 C85
0.96254383 0.31979225 0.60431412 # 86 C86
0.06714525 0.33646103 0.58378600 # 87 C87
0.13806722 0.31094568 0.65013235 # 88 C88
0.82234844 0.43588788 0.58861510 # 89 C89
0.80698213 0.51944520 0.52065370 # 90 C90
0.85490944 0.49823538 0.43067761 # 91 C91
0.91340118 0.40589093 0.44463640 # 92 C92
0.84570756 0.55953132 0.34792508 # 93 C93
0.78940691 0.64465336 0.36389051 # 94 C94
0.75059057 0.66932016 0.45681690 # 95 C95
0.75633874 0.60726151 0.53859261 # 96 C96
0.69299143 0.76197706 0.44755120 # 97 C97
0.74984441 0.71764793 0.29122595 # 98 C98
0.63964788 0.86823689 0.30778447 # 99 C99
0.58067179 0.85988630 0.22276668 # 100 C100
0.52164311 0.93934597 0.19227748 # 101 C101
0.52186749 0.02741390 0.24782115 # 102 C102
0.58420288 0.03677530 0.33037503 # 103 C103
0.64316578 0.95809960 0.36001503 # 104 C104
0.41442532 0.12840249 0.14429363 # 105 C105
0.32617574 0.18240470 0.15209733 # 106 C106
0.27857028 0.21293316 0.06557071 # 107 C107
0.31762390 0.18930473 0.97234968 # 108 C108
0.40556397 0.13496942 0.96637635 # 109 C109
0.45542611 0.10501398 0.05199013 # 110 C110
0.89538340 0.51109191 0.81296057 # 111 N1
0.25225187 0.63031957 0.13628253 # 112 N2
0.45924828 0.15953515 0.65572240 # 113 N3
0.62375303 0.55249553 0.91766581 # 114 N4
0.99392345 0.96620492 0.32624559 # 115 N5
0.91180816 0.07819571 0.80940092 # 116 N6
0.49885860 0.41806777 0.36349296 # 117 N7
0.27971691 0.71762314 0.70384091 # 118 N8
0.89429814 0.37390904 0.54458329 # 119 N9
0.69117966 0.78523487 0.34639405 # 120 N10
0.28089511 0.82368190 0.49872404 # 121 O1
0.90385632 0.36152393 0.89921365 # 122 O2
0.93022989 0.66713586 0.74776807 # 123 O3
0.23006410 0.46325575 0.18115067 # 124 O4
0.24668483 0.77882688 0.04491534 # 125 O5
0.90976646 0.85187557 0.93835594 # 126 O6
0.57643544 0.07775588 0.75584024 # 127 O7
0.35608262 0.28395835 0.59212036 # 128 O8
0.72452803 0.42639491 0.98584280 # 129 O9
0.48141446 0.62502115 0.84639723 # 130 O10
0.81182481 0.20560499 0.19417723 # 131 O11
0.88692800 0.83773703 0.37485813 # 132 O12
0.11156684 0.09447996 0.33978786 # 133 O13
0.76833486 0.98834198 0.76545369 # 134 O14
0.16730387 0.27614241 0.81858219 # 135 O15
0.09156699 0.07512789 0.80475427 # 136 O16
0.34969107 0.32878690 0.37996630 # 137 O17
0.60739024 0.55251392 0.36178788 # 138 O18
0.15054070 0.60126870 0.67949811 # 139 O19
0.44090276 0.78673042 0.69696029 # 140 O20
0.46033511 0.10695959 0.23362194 # 141 O21
0.78121892 0.42057761 0.66868260 # 142 O22
0.96924921 0.36417792 0.38700447 # 143 O23
0.65171912 0.80784454 0.51472635 # 144 O24
0.76032695 0.71903333 0.20156420 # 145 O25
0.10019812 0.73598016 0.88471129 # 146 H1
0.07736105 0.39101690 0.03463210 # 147 H2
0.38816638 0.76923843 0.17901288 # 148 H3
0.39973575 0.86296710 0.33735140 # 149 H4
0.16456297 0.68371724 0.45950143 # 150 H5
0.15389907 0.58915113 0.30131775 # 151 H6
0.48230072 0.85862400 0.49745209 # 152 H7
0.55818946 0.00654272 0.57206943 # 153 H8
0.26788870 0.12812737 0.63073960 # 154 H9
0.19157565 0.97613164 0.55638725 # 155 H10
0.39860873 0.45974979 0.71927296 # 156 H11
0.66350203 0.24495029 0.88025666 # 157 H12
0.76380218 0.57115124 0.05772640 # 158 H13
0.89323960 0.70012836 0.06295862 # 159 H14
0.75304969 0.85262337 0.81969059 # 160 H15
0.62390799 0.72310498 0.81199679 # 161 H16
0.09254783 0.87943642 0.00762479 # 162 H17
0.13438285 0.93062578 0.17984912 # 163 H18
0.82225804 0.97006925 0.24123374 # 164 H19
0.78060986 0.91144228 0.07255801 # 165 H20
0.10955316 0.13628938 0.56482043 # 166 H21
0.81095238 0.90733576 0.57215093 # 167 H22
0.72812705 0.08278463 0.88628579 # 168 H23
0.68023748 0.14043612 0.05285540 # 169 H24
0.98628976 0.19910902 0.12199667 # 170 H25
0.03611328 0.13785871 0.95658553 # 171 H26
0.66599269 0.30195810 0.08783348 # 172 H27
0.52381838 0.38941617 0.16544926 # 173 H28
0.63088907 0.30730399 0.45480720 # 174 H29
0.77188425 0.21543178 0.37651371 # 175 H30
0.53940707 0.67575958 0.53601601 # 176 H31
0.23369893 0.45681199 0.53207036 # 177 H32
0.08345701 0.75296877 0.68949400 # 178 H33
0.99706535 0.90088252 0.73767322 # 179 H34
0.26662426 0.02434922 0.85668024 # 180 H35
0.35340983 0.86717577 0.81904252 # 181 H36
0.98207318 0.24993000 0.83266171 # 182 H37
0.85447609 0.25439906 0.69942321 # 183 H38
0.08751701 0.37195369 0.51394292 # 184 H39
0.21621472 0.32699112 0.63690346 # 185 H40
0.87804341 0.54105616 0.27607066 # 186 H41
0.72283471 0.62546873 0.60996347 # 187 H42
0.57916500 0.79021596 0.18168748 # 188 H43
0.47297603 0.93083292 0.12828092 # 189 H44
0.58309293 0.10624442 0.37151323 # 190 H45
0.68999787 0.96513750 0.42544094 # 191 H46
0.29729436 0.20071232 0.22550024 # 192 H47
0.21024173 0.25603679 0.07127240 # 193 H48
0.43664710 0.11441014 0.89452759 # 194 H49
0.52494836 0.06413036 0.04626629 # 195 H50
0.83713535 0.49238471 0.76774227 # 196 H51
0.27917373 0.21355356 0.90558214 # 197 H52