mirror of https://github.com/phonopy/phono3py.git
1083 lines
51 KiB
Plaintext
1083 lines
51 KiB
Plaintext
# File: 1
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# File: 3
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# File: 4
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# File: 11
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# File: 12
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# File: 13
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0.0043602894 0.0277007812 0.0291663253
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|
# File: 17
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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0.0042430551 -0.0290637005 -0.0276252811
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|
# File: 18
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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0.0940885322 0.1295577637 0.1241800010
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0.0262401049 0.0262400108 0.2783268413
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0.0277136913 0.0277138914 0.0550743787
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0.0331401863 -0.0010853512 0.0291767075
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|
# File: 19
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# File: 20
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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0.0997506976 0.1296883312 0.1239430664
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|
# File: 21
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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|
# File: 22
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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0.0004236942 -0.0111482381 -0.0052658359
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# File: 23
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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|
# File: 24
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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|
# File: 25
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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0.0002918553 0.0000012131 0.0000014058
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0.1051898959 -0.1294474387 -0.1294477630
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|
# File: 26
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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0.1394250548 -0.1183785245 0.1339024332
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|
0.0233157466 -0.0008940012 0.0278814388
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|
0.1350605830 0.0996863172 0.1296363883
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|
# File: 27
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 8 -0.0212132034355964 0.0000000000000000 -0.0212132034355964
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0.0992997088 0.1237671152 0.1292467874
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|
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|
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|
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|
|
# File: 28
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 8 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
0.0152175545 -0.3184817266 -0.3184817374
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0.0000629870 0.0214588833 -0.0392808746
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0.0000630494 0.0214587066 -0.0392808516
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0.0001499402 0.0213745852 0.0213747076
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0.0152177439 -0.3184816190 -0.3184817130
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|
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|
|
0.1051354721 0.1296226417 0.1296227234
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|
# File: 29
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
|
|
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|
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|
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|
|
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|
|
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|
|
# File: 30
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 9 0.0212132034355964 0.0000000000000000 0.0212132034355964
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|
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|
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|
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|
0.0082353165 0.0000819405 0.0027746183
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|
# File: 31
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
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# File: 32
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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# File: 33
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# File: 34
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|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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# File: 35
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# File: 36
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# File: 37
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|
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# File: 38
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|
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# File: 39
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# File: 40
|
|
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# File: 41
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# File: 42
|
|
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# File: 43
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|
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# File: 44
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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# File: 45
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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# File: 46
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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# File: 47
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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# File: 48
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 12 0.0212132034355964 0.0212132034355964 0.0000000000000000
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|
0.0154371741 -0.3210711123 -0.3266682311
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0.0289267583 0.0495936149 0.0231858546
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0.0389816159 0.0093144952 0.0118334976
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0.1279482979 0.1500716708 0.0933392112
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0.0116475460 0.0109117962 -0.0139744596
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-0.0166769564 -0.0250713701 0.0106701108
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-0.0052201023 -0.0059965024 -0.0007587808
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0.1295537888 0.1321783915 -0.0968828853
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0.0989539967 0.1289143564 0.1291928367
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-0.1020444861 0.1197410817 0.1505834712
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-0.0207368737 0.0398831152 0.0389109583
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-0.3210707607 -0.3265017421 -0.0208370033
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0.0014949625 0.0302766373 0.0289944817
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-0.0196107269 0.0051133745 -0.0167478902
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|
0.0048756987 -0.0194638366 -0.0110995779
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|
0.0275400673 0.0221060299 0.0002584058
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# File: 49
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|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 12 -0.0212132034355964 -0.0212132034355964 0.0000000000000000
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0.0149311970 -0.3213669834 -0.3154179849
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-0.0277760212 -0.0070629758 0.0231319700
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-0.1408194190 -0.1187025400 -0.1191441059
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0.0112677221 0.0105325344 -0.0253009714
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-0.0057907363 -0.0141729813 0.0106822410
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0.0056772215 0.0049072857 -0.0007474190
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-0.1392598837 -0.1365935555 0.1155327543
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0.1001988802 0.1301190760 0.1292342187
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-0.1235158841 0.1590127908 0.1279051944
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0.0185864692 0.0183957919 0.0162286129
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0.3213412727 0.3157480506 -0.0207248333
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-0.0038477472 0.0249322428 0.0290505494
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0.0196808690 -0.0163351046 0.0059361530
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|
-0.0164330851 -0.0218804765 0.0002501712
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|
# File: 50
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|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 15 0.0212132034355964 0.0000000000000000 0.0212132034355964
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0.0099184526 -0.3212126194 -0.3266920407
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0.0001221244 0.0277630606 0.0222609482
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0.0404424736 -0.0185464478 0.0382304075
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-0.0112057429 0.0052584190 -0.0194361436
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0.1409073767 -0.0889361980 0.1097668734
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-0.0168449128 -0.0196728442 0.0054364127
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0.1395990009 0.1122427721 0.1386490294
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0.0276572415 0.0038670430 0.0317406191
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0.0798053126 0.1181438575 0.1401647813
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-0.1101900108 0.1392360414 0.1419696166
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0.0096164012 0.0403646087 0.0080561780
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-0.0004796372 -0.0056849343 -0.0061505856
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0.0207977669 0.0277250403 0.0510464249
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0.0107831614 -0.0169173976 -0.0251186166
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|
-0.3269383169 -0.0150508552 -0.3208434254
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|
-0.0139906912 0.0114204540 0.0109195207
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|
# File: 51
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 15 -0.0212132034355964 0.0000000000000000 -0.0212132034355964
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0.0207251585 -0.3213416237 -0.3157479787
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-0.0002499241 0.0164329026 0.0218803613
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-0.0059360845 -0.0196804583 0.0163351383
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-0.1292340811 -0.1001984504 -0.1301192353
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-0.0290507285 0.0038482265 -0.0249319758
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|
0.1191435510 0.1408197543 0.1187026404
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-0.1155329785 0.1392597780 0.1365935428
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-0.0118059952 0.0176701941 0.0473466730
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0.0007475045 -0.0056773709 -0.0049074003
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-0.0231322578 0.0277756594 0.0070628771
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|
-0.0106824135 0.0057905169 0.0141728722
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|
0.3154181047 -0.0149316541 0.3213671199
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|
0.0253009355 -0.0112683054 -0.0105326012
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|
# File: 52
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 15 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
0.0096635017 -0.3209706287 -0.3209705585
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|
0.0056256815 0.0222570783 0.0222569979
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0.0125523324 0.0093319508 0.0382548111
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-0.0114465295 0.0054330411 -0.0250788797
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0.0125522146 0.0382548108 0.0093319055
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-0.0114466678 -0.0250789745 0.0054330660
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|
0.1131598573 0.1386636041 0.1386637269
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|
-0.0995199161 0.1321869799 0.1321869803
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|
0.0992636988 0.1288884584 0.1288886976
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|
-0.1129181238 0.1419666551 0.1419665729
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|
0.0101389870 0.0398582495 0.0080318794
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|
-0.0112446793 -0.0251107980 0.0051174217
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|
0.0101391921 0.0080321025 0.0398583562
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|
-0.0112444660 0.0051172736 -0.0251108686
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|
-0.0209689696 -0.3209382930 -0.3209385590
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|
0.0056938867 0.0221084901 0.0221084504
|
|
# File: 53
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 15 0.0000000000000000 -0.0212132034355964 -0.0212132034355964
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|
0.0210400347 -0.3214630706 -0.3214632639
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|
-0.0057002294 0.0218825706 0.0218828094
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0.0125597780 -0.0473728596 -0.0184159281
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|
-0.0114410627 0.0163388039 -0.0141642872
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|
0.0125595762 -0.0184156636 -0.0473728814
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-0.0114410084 -0.0141645267 0.0163388004
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|
-0.0992606534 -0.1301355509 -0.1301356180
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|
0.1128749316 -0.1365990690 -0.1365989940
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|
0.0992606652 0.1301354813 0.1301356614
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|
-0.1128749288 0.1365991173 0.1365989812
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|
-0.0125596456 0.0184156775 0.0473728657
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|
0.0114409660 0.0141645283 -0.0163388260
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|
-0.0125598257 0.0473729322 0.0184159442
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|
0.0114410894 -0.0163388013 0.0141643266
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|
-0.0210399489 0.3214630537 0.3214632440
|
|
0.0057002617 -0.0218826229 -0.0218828342
|
|
# File: 54
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 16 0.0212132034355964 0.0000000000000000 0.0212132034355964
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|
0.0154172860 -0.3154636736 -0.3208795584
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|
-0.0055122076 0.0218653157 0.0164735188
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|
0.0114939704 -0.0252979629 0.0107588287
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|
0.0177326678 0.0119646162 0.0080483757
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|
0.0058519578 0.0105178414 -0.0251101858
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|
0.1181844261 -0.1191393460 0.1403011529
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|
0.0278871857 0.0005365172 0.0284234533
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|
0.1393054884 0.1155545154 0.1419744565
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|
0.1022425115 0.1294914095 0.1321821372
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|
-0.1325736131 0.1279110886 0.1499420899
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|
-0.0017707140 0.0287730322 0.0269907165
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|
0.0109409696 0.0059362537 -0.0250804998
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|
0.0094984389 0.0162281228 0.0093203331
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|
0.0221248215 -0.0053942124 0.0166102385
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|
-0.0253120419 0.0115762128 0.0110745756
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|
-0.3155111472 -0.0150597306 -0.3210296326
|
|
# File: 55
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
|
|
# 16 -0.0212132034355964 0.0000000000000000 -0.0212132034355964
|
|
0.0152298852 -0.3266395654 -0.3212776311
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|
0.0053766056 0.0218579317 0.0273615693
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|
0.0111086123 -0.0139788681 0.0103762394
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|
-0.0389132355 0.0120032450 -0.0485864025
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|
0.0167522210 0.0105073956 -0.0142231704
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|
-0.1505834561 0.0933477804 -0.1284570170
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|
-0.0287287137 0.0005693990 -0.0282174994
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|
-0.1294740743 -0.0968988208 -0.1268466522
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|
0.0968987822 0.1294735765 0.1268468376
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|
-0.0933474106 0.1505830687 0.1284571765
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|
-0.0005694891 0.0287285556 0.0282171497
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|
-0.0105077154 -0.0167518912 0.0142230446
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|
-0.0120026855 0.0389130168 0.0485868504
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|
-0.0218576148 -0.0053769007 -0.0273614947
|
|
0.0139786056 -0.0111080196 -0.0103765236
|
|
0.3266396831 -0.0152299036 0.3212775233
|
|
# File: 56
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
|
|
# 16 0.0000000000000000 0.0212132034355964 0.0212132034355964
|
|
0.0209683493 -0.3209405075 -0.3209404024
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|
-0.0056946677 0.0221062516 0.0221061617
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|
0.0112452261 -0.0251128174 0.0051147645
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|
-0.0101388495 0.0398553564 0.0080292846
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|
0.0112450783 0.0051147942 -0.0251127079
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|
-0.0101387721 0.0080292104 0.0398553220
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|
-0.0992645141 0.1288858670 0.1288858787
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|
0.1129181443 0.1419644485 0.1419642909
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|
0.0995200610 0.1321893002 0.1321891670
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|
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|
-0.0125521727 0.0093356955 0.0382574933
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|
0.0114466994 0.0054349452 -0.0250768260
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|
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|
0.0114468887 -0.0250769097 0.0054350830
|
|
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|
-0.0096636052 -0.3209681471 -0.3209681710
|
|
# File: 57
|
|
# 1 0.0000000000000000 0.0212132034355964 0.0212132034355964
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|
# 16 0.0000000000000000 -0.0212132034355964 -0.0212132034355964
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|
0.0097255863 -0.3212294883 -0.3212295526
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|
0.0056203503 0.0217256455 0.0217256350
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|
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0.0101482825 0.0485696350 0.0167899936
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0.0101481496 0.0167898993 0.0485696585
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