Stage_1/POSCAR output for 1025: Optical_PFA2PTFE6_geofrom1012
Status:
finished
Optical_PFA2PTFE6_geofrom1012
1.0
9.03961033 0.00000000 0.00000000
0.00000000 9.03961033 0.00000000
0.00000000 0.00000000 9.03961033
C F O H
18 36 2 2
Direct
0.37506775 0.56325707 0.85311012 # 1 Untitled_1::C1
0.24552678 0.66459014 0.91192676 # 2 Untitled_1::C2
0.31076476 0.70356272 0.17113251 # 3 Untitled_1::C3
0.27096665 0.45415903 0.58407899 # 4 Untitled_2::C1
0.39112020 0.44726237 0.70705085 # 5 Untitled_2::C2
0.49134667 0.18879514 0.70521651 # 6 Untitled_2::C3
0.09519342 0.28748870 0.75712354 # 7 Untitled_3::C1
0.13921339 0.33897730 0.59436177 # 8 Untitled_3::C2
0.87771956 0.39873775 0.94269762 # 9 Untitled_4::C1
0.93195298 0.27658925 0.81983619 # 10 Untitled_4::C2
0.81807109 0.68407518 0.81629706 # 11 Untitled_5::C1
0.78382476 0.54589671 0.91609085 # 12 Untitled_5::C2
0.72079009 0.72644834 0.52939055 # 13 Untitled_6::C1
0.82342357 0.64784347 0.64525092 # 14 Untitled_6::C2
0.92440123 0.90645890 0.40720654 # 15 Untitled_7::C1
0.76994251 0.88248245 0.47860728 # 16 Untitled_7::C2
0.83470110 0.08814638 0.18892457 # 17 Untitled_8::C1
0.93302062 0.05428586 0.32236499 # 18 Untitled_8::C2
0.40941632 0.47797399 0.97402413 # 19 Untitled_1::F1
0.47909186 0.66893428 0.82832382 # 20 Untitled_1::F2
0.21337038 0.76594522 0.80545752 # 21 Untitled_1::F3
0.20835812 0.59621050 0.19952125 # 22 Untitled_1::F4
0.28694582 0.81776354 0.26367190 # 23 Untitled_1::F5
0.44690978 0.64832219 0.20291615 # 24 Untitled_1::F6
0.33625204 0.42457582 0.45100764 # 25 Untitled_2::F1
0.22197696 0.59587685 0.57584274 # 26 Untitled_2::F2
0.51634711 0.48976831 0.63614750 # 27 Untitled_2::F3
0.55991921 0.22221987 0.57738389 # 28 Untitled_2::F4
0.40616935 0.06870211 0.67954684 # 29 Untitled_2::F5
0.59135544 0.14881278 0.80875736 # 30 Untitled_2::F6
0.15239435 0.15045917 0.77458611 # 31 Untitled_3::F1
0.16471791 0.38268379 0.85323814 # 32 Untitled_3::F2
0.18564099 0.21614793 0.52155026 # 33 Untitled_3::F3
0.02535208 0.39912416 0.51861977 # 34 Untitled_3::F4
0.77409888 0.32127099 0.02143978 # 35 Untitled_4::F1
0.98919875 0.43003972 0.03925473 # 36 Untitled_4::F2
0.93242894 0.14864939 0.90094132 # 37 Untitled_4::F3
0.83501772 0.25688136 0.70983236 # 38 Untitled_4::F4
0.71664143 0.79051554 0.84558441 # 39 Untitled_5::F1
0.95082427 0.73856972 0.86078635 # 40 Untitled_5::F2
0.76789235 0.60356218 0.05530033 # 41 Untitled_5::F3
0.65333667 0.48758536 0.87175358 # 42 Untitled_5::F4
0.71513151 0.63481624 0.40960241 # 43 Untitled_6::F1
0.58118286 0.74585317 0.57976066 # 44 Untitled_6::F2
0.79479574 0.50080609 0.63227153 # 45 Untitled_6::F3
0.96507714 0.66997236 0.60032812 # 46 Untitled_6::F4
0.02978951 0.91636567 0.51535038 # 47 Untitled_7::F1
0.95834395 0.79142882 0.31615094 # 48 Untitled_7::F2
0.75996621 0.97259248 0.59995943 # 49 Untitled_7::F3
0.66468231 0.92311324 0.37834659 # 50 Untitled_7::F4
0.81315075 0.96389689 0.10487439 # 51 Untitled_8::F1
0.70070863 0.14676777 0.22584826 # 52 Untitled_8::F2
0.07540944 0.06541812 0.26987973 # 53 Untitled_8::F3
0.90999395 0.16496519 0.42278253 # 54 Untitled_8::F4
0.30310001 0.75478059 0.02934631 # 55 Untitled_1::O
0.40726604 0.30282084 0.76372138 # 56 Untitled_2::O
0.14705855 0.60609784 0.95124001 # 57 H_head
0.89625829 0.16963065 0.12575494 # 58 H_tail