Stage_1/POSCAR output for 1022: Structure_opt_PFA2PTFE6
Status:
finished
Structure_opt_PFA2PTFE6
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
0.34816774 0.51242082 0.78028904 # 1 Untitled_1::C1
0.20618902 0.61100293 0.79650881 # 2 Untitled_1::C2
0.25804072 0.55656124 0.06108527 # 3 Untitled_1::C3
0.23683970 0.51287551 0.53032921 # 4 Untitled_2::C1
0.35035083 0.43611245 0.62532630 # 5 Untitled_2::C2
0.41164426 0.17781693 0.67385502 # 6 Untitled_2::C3
0.06483083 0.38891285 0.75016014 # 7 Untitled_3::C1
0.07701816 0.45453491 0.58035930 # 8 Untitled_3::C2
0.81130728 0.43446382 0.91595511 # 9 Untitled_4::C1
0.90131011 0.33466645 0.79791293 # 10 Untitled_4::C2
0.88946155 0.68532589 0.81906048 # 11 Untitled_5::C1
0.76038861 0.59420003 0.86819540 # 12 Untitled_5::C2
0.82450787 0.67925225 0.55065306 # 13 Untitled_6::C1
0.93611475 0.62623848 0.67242261 # 14 Untitled_6::C2
0.98064474 0.90818641 0.52859980 # 15 Untitled_7::C1
0.82107893 0.84966715 0.54449027 # 16 Untitled_7::C2
0.90040168 0.12853307 0.37908753 # 17 Untitled_8::C1
0.98131812 0.07783791 0.51984898 # 18 Untitled_8::C2
0.36364892 0.40405569 0.90335035 # 19 Untitled_1::F1
0.46817027 0.62541983 0.78166862 # 20 Untitled_1::F2
0.22749065 0.74550297 0.70389176 # 21 Untitled_1::F3
0.17720801 0.41330205 0.05130666 # 22 Untitled_1::F4
0.24530684 0.61603693 0.21449123 # 23 Untitled_1::F5
0.41709533 0.53306771 0.02494148 # 24 Untitled_1::F6
0.26380929 0.48266821 0.37036608 # 25 Untitled_2::F1
0.25197934 0.67187484 0.56385437 # 26 Untitled_2::F2
0.50017287 0.43703163 0.55630140 # 27 Untitled_2::F3
0.54298965 0.21408266 0.58099606 # 28 Untitled_2::F4
0.36249533 0.02384455 0.64175965 # 29 Untitled_2::F5
0.45173216 0.19071352 0.83313036 # 30 Untitled_2::F6
0.15021258 0.24836658 0.74262640 # 31 Untitled_3::F1
0.13978502 0.47263763 0.87297686 # 32 Untitled_3::F2
0.05241451 0.32166424 0.48607630 # 33 Untitled_3::F3
0.95955561 0.55725309 0.53360671 # 34 Untitled_3::F4
0.67763729 0.35011856 0.96289280 # 35 Untitled_4::F1
0.90978952 0.45221786 0.04691269 # 36 Untitled_4::F2
0.92590365 0.19132435 0.87545067 # 37 Untitled_4::F3
0.81236199 0.29569965 0.66460401 # 38 Untitled_4::F4
0.85069075 0.84475590 0.81101735 # 39 Untitled_5::F1
0.00915848 0.65924659 0.92880227 # 40 Untitled_5::F2
0.68499831 0.66834363 0.99460471 # 41 Untitled_5::F3
0.65573079 0.58032406 0.74261570 # 42 Untitled_5::F4
0.87445874 0.62327789 0.40344094 # 43 Untitled_6::F1
0.67311773 0.62162873 0.57920698 # 44 Untitled_6::F2
0.93564186 0.46274941 0.67675382 # 45 Untitled_6::F3
0.08327604 0.68526417 0.63221239 # 46 Untitled_6::F4
0.06787715 0.86188735 0.66028833 # 47 Untitled_7::F1
0.05026500 0.84575453 0.39299860 # 48 Untitled_7::F2
0.75473493 0.90829663 0.68332407 # 49 Untitled_7::F3
0.72823646 0.89791679 0.41728764 # 50 Untitled_7::F4
0.97618040 0.06491499 0.24718944 # 51 Untitled_8::F1
0.74436665 0.07645494 0.38300012 # 52 Untitled_8::F2
0.13729346 0.13079092 0.51486331 # 53 Untitled_8::F3
0.90754724 0.13995476 0.65324868 # 54 Untitled_8::F4
0.19159537 0.66563361 0.95423863 # 55 Untitled_1::O
0.28865078 0.28347589 0.63940137 # 56 Untitled_2::O
0.10681951 0.55399600 0.75902540 # 57 H_head
0.90260541 0.24881904 0.37250962 # 58 H_tail