Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098542809487
cohesive_energy=4.242432836593574
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01643193724165183
Energy: 1.2126445357569084
Energy: 0.01643193724165183
Energy: 1.2126445357569084
Energy: 0.01643193724165183
Energy: 1.2126445357572226
Energy: 1.2126445357569084
Energy: 0.09256686850879844
Energy: 1.2126445357572226
Energy: 0.09256686850911273
Energy: 1.2126445357572226
Energy: 0.09256686850879844
Energy: 0.01643193724165183
Energy: 1.2126445357569084
Energy: 0.01643193724165183
Energy: 1.2126445357569084
Energy: 0.01643193724165183
Energy: 1.2126445357572226
Energy: 1.2126445357569084
Energy: 0.0925668685093921
Energy: 1.2126445357569084
Energy: 0.09256686850879844
Energy: 1.2126445357569084
Energy: 0.09256686850879844
Energy: 0.01643193724165183
Energy: 1.2126445357569084
Energy: 0.01643193724165183
Energy: 1.2126445357569084
Energy: 0.01643193724165183
Energy: 1.2126445357569084
Energy: 1.2126445357572226
Energy: 0.09256686850879844
Energy: 1.2126445357569084
Energy: 0.0925668685093921
Energy: 1.2126445357569084
Energy: 0.09256686850879844

minimum gb energy = 0.01643193724165183 eV
minimum distance =  2.52523676973804 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.1933665378309124
Energy: 1.0226932413743688
Energy: 1.193366537830156
Energy: 1.0226932413728558
Energy: 1.193366537830156
Energy: 1.0226932413743688
Energy: 1.3579072143103779
Energy: 0.9243952386664585
Energy: 1.3579072143028124
Energy: 0.9243952386664585
Energy: 1.3579072143118907
Energy: 0.9243952386664585
Energy: 1.1287853726900852
Energy: 1.0784512462512046
Energy: 1.1287853726885722
Energy: 1.078451246254987
Energy: 1.1287853726900852
Energy: 1.0784512462534739
Energy: 1.1930658255070246
Energy: 1.0020162148986438
Energy: 1.193065825541825
Energy: 1.0020162148986438
Energy: 1.1930658255236684
Energy: 1.0020162148986438
Energy: 1.078542385913984
Energy: 1.1379577297121248
Energy: 1.078542385913984
Energy: 1.1379577297098553
Energy: 1.0785423859147405
Energy: 1.1379577297113683
Energy: 1.1136989144727847
Energy: 0.9918463808268254
Energy: 1.1136989144727847
Energy: 0.9918463808260689
Energy: 1.1136989144734724
Energy: 0.9918463808260689
Energy: 1.0037351497758282
Energy: 1.1441625654342447
Energy: 1.0037351497750717
Energy: 1.1441625654342447
Energy: 1.003735149772802
Energy: 1.1441625654334884
Energy: 1.0044069991446607
Energy: 1.239977863823682
Energy: 1.0044069991461737
Energy: 1.2399778638244383
Energy: 1.0044069991439042
Energy: 1.239977863825195
Energy: 1.1381983805964135
Energy: 1.1452135042719824
Energy: 1.1381983805964135
Energy: 1.1452135042712257
Energy: 1.1381983805956568
Energy: 1.1452135042719824
Energy: 0.9215954912068398
Energy: 1.2246810883710362
Energy: 0.9215954912075964
Energy: 1.2246811869335743
Energy: 0.9215954912068398
Energy: 1.2246806751248065
Energy: 0.5922790343221154
Energy: 0.9908144956060242
Energy: 1.1033798226604496
Energy: 0.9908144956067806
Energy: 0.5940142102509659
Energy: 0.9908144956075371
Energy: 0.8731213506638664
Energy: 1.1495269580022238
Energy: 0.8731213506638664
Energy: 1.1495269545176676
Energy: 0.8731213506638664
Energy: 1.1495269492303806
Energy: 1.2333832455372742
Energy: 0.8604535427521194
Energy: 1.2333832455380305
Energy: 0.8604535427528759
Energy: 1.233383245538787
Energy: 0.8604535427521194
Energy: 1.0036512062929548
Energy: 1.085077581937904
Energy: 1.0036512062921983
Energy: 1.0850775819068863
Energy: 1.0036512062921983
Energy: 1.085077581859982
Energy: 1.2973963895927523
Energy: 0.9260533396474436
Energy: 1.297396389522464
Energy: 0.9260533396459305
Energy: 1.2973963895935086
Energy: 0.926053339646687
Energy: 1.3227524371418142
Energy: 1.132642021206243
Energy: 1.3227524371410577
Energy: 1.132642021206243
Energy: 1.3227524371418142
Energy: 1.1326420212054864
Energy: 1.1293688754759272
Energy: 1.0829109473605782
Energy: 1.1293688754751705
Energy: 1.082910947361335
Energy: 1.1293688754751705
Energy: 1.0829109473605782
Energy: 1.128437969875866
Energy: 1.0305302945518602
Energy: 1.128437969875866
Energy: 1.0305302945526167
Energy: 1.1284379698766227
Energy: 1.0305302945518602
Energy: 0.9700303932770944
Energy: 1.0022558835025646
Energy: 0.9700303932770944
Energy: 1.0022558835055908
Energy: 0.9700303932778509
Energy: 1.002255883504834
Energy: 1.0998653555267115
Energy: 0.9914915512513197
Energy: 1.0998653555289812
Energy: 0.9914915512513197
Energy: 1.0998653555289812
Energy: 0.9914915512520762
Energy: 0.9411931799497933
Energy: 1.2163577465056614
Energy: 0.94119317995055
Energy: 1.216357746506418
Energy: 0.9411931799497933
Energy: 1.2163577465086874
Energy: 1.139793272649857
Energy: 1.145892011552408
Energy: 1.139793272646074
Energy: 1.1458920115516515
Energy: 1.1397932726483437
Energy: 1.145892011552408
Energy: 0.844092853991275
Energy: 1.427492865392416
Energy: 0.8440928539905185
Energy: 1.4274928653916594
Energy: 0.8440928539905185
Energy: 1.4274928653916594

minimum gb energy = 0.5922790343221154 eV
minimum distance =  2.33661458257325 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.223571517484374
Energy: 1.216141097043667
Energy: 1.223571517484374
Energy: 1.216141097043667
Energy: 1.223571517484374
Energy: 1.216141097044958
Energy: 1.255823464349846
Energy: 1.0381143317681703
Energy: 1.2558234643502761
Energy: 1.0381143317681703
Energy: 1.2558234643481245
Energy: 1.0381143317686006
Energy: 0.8748801468973929
Energy: 1.0370805813627944
Energy: 0.8748801468969626
Energy: 1.0370805813615034
Energy: 0.8748801468969626
Energy: 1.0370805813627944
Energy: 1.096702335039386
Energy: 1.0965371199983522
Energy: 1.0967023350385257
Energy: 1.0965371075119983
Energy: 1.0967023350402467
Energy: 1.0965370712401594
Energy: 1.0393358451087162
Energy: 1.0946775580621753
Energy: 1.0393358451087162
Energy: 1.0946775580626056
Energy: 1.0393358451091466
Energy: 1.0946775580600239
Energy: 0.5282737910586529
Energy: 0.8748441521988477
Energy: 1.0375619179816207
Energy: 0.8748441521997083
Energy: 1.0375744953684154
Energy: 0.874844152199278
Energy: 1.2192796195366542
Energy: 1.1983431921291938
Energy: 1.2192796195357936
Energy: 1.1983431921287633
Energy: 1.2192796195336422
Energy: 1.1983431921291938
Energy: 0.8648285303522332
Energy: 1.1926524131983558
Energy: 0.8648285303518028
Energy: 1.1926524132017984
Energy: 0.8648285303526636
Energy: 1.1926524131970648
Energy: 1.0853156815572784
Energy: 0.8786841290697336
Energy: 1.0853156815581388
Energy: 0.8786841290701639
Energy: 1.0853156815568483
Energy: 0.8786841290693033
Energy: 0.8371405755078127
Energy: 1.1145353225512304
Energy: 0.8371405755078127
Energy: 1.1145350325429313
Energy: 0.837140575508243
Energy: 1.1145335705897397
Energy: 1.1153246662152667
Energy: 0.8407561911991682
Energy: 1.115324642212945
Energy: 0.8407561911991682
Energy: 1.115324587754019
Energy: 0.8407561911991682
Energy: 0.8756030341028935
Energy: 0.9287790953863964
Energy: 0.8756030341033237
Energy: 0.9287790953868268
Energy: 0.8756030341033237
Energy: 0.9287790953868268
Energy: 1.2490453862118538
Energy: 0.8629260903818805
Energy: 1.2490453862092719
Energy: 0.8629260903818805
Energy: 1.2490453862088808
Energy: 0.8629260903814502
Energy: 1.1931978923048863
Energy: 1.2189363508455204
Energy: 1.1931978923048863
Energy: 1.218936350833902
Energy: 1.1931978923053164
Energy: 1.2189363507745588
Energy: 1.060947571360915
Energy: 1.0373892253975896
Energy: 1.0609475713613457
Energy: 1.0373892253962986
Energy: 1.060947571363458
Energy: 1.03738922539802
Energy: 0.8747624581429783
Energy: 1.0370101306068402
Energy: 0.8747624581425478
Energy: 1.037010130603828
Energy: 0.8747624581429783
Energy: 1.0370101306046886
Energy: 1.0979797452932176
Energy: 1.0984483875220088
Energy: 1.0979797452807385
Energy: 1.0984483875224391
Energy: 1.0979797453026454
Energy: 1.0984483875228697
Energy: 1.036926043191575
Energy: 0.8747991286944244
Energy: 1.0369260431894236
Energy: 0.8747991286944244
Energy: 1.0369260431898537
Energy: 0.8747991286944244
Energy: 1.0383363379182726
Energy: 1.0606352695890384
Energy: 1.0383363379182726
Energy: 1.060635269581293
Energy: 1.0383363379182726
Energy: 1.0606352695834445
Energy: 1.2189140422569242
Energy: 1.1944918553796717
Energy: 1.2189140422582152
Energy: 1.1944918553792414
Energy: 1.2189140422560636
Energy: 1.1944918553792414
Energy: 0.86182148046313
Energy: 1.2589408164237474
Energy: 0.86182148046313
Energy: 1.258940816422887
Energy: 0.86182148046313
Energy: 1.258940816420305
Energy: 1.0860281232215543
Energy: 0.8786083025450308
Energy: 1.0860281232202635
Energy: 0.8786083025450308
Energy: 1.0860281232215543
Energy: 0.8786083025450308
Energy: 0.8374534459605019
Energy: 1.1138438937220814
Energy: 0.8374534459605019
Energy: 1.1138438518032194
Energy: 0.8374534459609322
Energy: 1.1138438093066871
Energy: 1.117871898975026
Energy: 1.0384448013170426
Energy: 1.117871898973735
Energy: 1.038444801317473
Energy: 1.117871898973735
Energy: 1.038444801317473
Energy: 0.8747749207257242
Energy: 1.0877928870100346
Energy: 0.8747749207252938
Energy: 1.0877928870096045
Energy: 0.8747749207257242
Energy: 1.0877928870100346
Energy: 1.1922694356186565
Energy: 1.223891401846549
Energy: 1.192269435617796
Energy: 1.223891401846549
Energy: 1.192269435617796
Energy: 1.2238914018474094
Energy: 1.1923237521087042
Energy: 1.2237886412312813
Energy: 1.1923237521061223
Energy: 1.223788641232142
Energy: 1.1923237521091345
Energy: 1.2237886412330026
Energy: 0.8747844993139489
Energy: 1.0877822167300502
Energy: 0.8747844993139489
Energy: 1.0877822167304805
Energy: 0.8747844993135184
Energy: 1.087782216730911
Energy: 1.117948157835343
Energy: 1.0382644134694372
Energy: 1.1179481578362036
Energy: 1.0382644134690069
Energy: 1.1179481578362036
Energy: 1.0382644134681462
Energy: 0.8372321562987074
Energy: 1.1139130940551134
Energy: 0.8372321562982771
Energy: 1.1139130605201177
Energy: 0.8372321562982771
Energy: 1.1139130240663364
Energy: 1.0857596609130278
Energy: 0.8786137760460234
Energy: 1.0857596609160398
Energy: 0.8786137760455931
Energy: 1.0857596609151792
Energy: 0.8786137760455931
Energy: 0.8620074331171512
Energy: 1.254627950590781
Energy: 0.8620074331175814
Energy: 1.254627943689994
Energy: 0.8620074331171512
Energy: 1.2546279002971283
Energy: 1.219011120425092
Energy: 1.194364469650544
Energy: 1.2190111204229404
Energy: 1.1943644696509745
Energy: 1.2190111204233707
Energy: 1.1943644696509745
Energy: 1.0392587331026062
Energy: 1.0603748960447454
Energy: 1.0392587331017455
Energy: 1.0603748960460362
Energy: 1.0392587331026062
Energy: 1.0603748960408728
Energy: 1.0369632853581106
Energy: 0.8749928292476485
Energy: 1.0369632853589712
Energy: 0.8749928292472184
Energy: 1.0369632853589712
Energy: 0.8749928292476485
Energy: 1.097077088215047
Energy: 1.0982498261531346
Energy: 1.0970770880649081
Energy: 1.0982498261514135
Energy: 1.0970770877999554
Energy: 1.0982498261531346
Energy: 0.8748234714569421
Energy: 1.0371019233718874
Energy: 0.8748234714573724
Energy: 1.0371019233705965
Energy: 0.8748234714569421
Energy: 1.0371019233718874
Energy: 1.0605589213596889
Energy: 1.037462889125028
Energy: 1.0605589213588285
Energy: 1.0374628891224462
Energy: 1.0605589213605497
Energy: 1.0374628891237372
Energy: 1.1931469631952842
Energy: 1.2187598831254005
Energy: 1.1931469631952842
Energy: 1.2187598831232487
Energy: 1.1931469631948537
Energy: 1.2187598830935968
Energy: 1.2497992272507592
Energy: 0.8629141668113167
Energy: 1.2497992272494682
Energy: 0.8629141668113167
Energy: 1.2497992272503289
Energy: 0.8629141668113167
Energy: 0.8756069755909166
Energy: 0.9287948191150859
Energy: 0.8756069755917772
Energy: 0.9287948191150859
Energy: 0.8756069755917772
Energy: 0.9287948191155161

minimum gb energy = 0.5282737910586529 eV
minimum distance =  2.37539002422476 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.137094877356409
Energy: 1.1190945528104281
Energy: 1.137094877356409
Energy: 1.1190945528104281
Energy: 1.137094877356409
Energy: 1.1190945528094312
Energy: 1.1729735569142397
Energy: 1.0026256233478723
Energy: 1.1729734957254254
Energy: 1.0026256233488693
Energy: 1.172973011294364
Energy: 1.0026256233478723
Energy: 1.0682644064270674
Energy: 1.0562050828683178
Energy: 1.0682644064270674
Energy: 1.056204838123983
Energy: 1.0682644064270674
Energy: 1.0562029251088274
Energy: 1.0773480585455957
Energy: 0.887944367542546
Energy: 1.0773480585445987
Energy: 0.887944367542546
Energy: 1.0773480585455957
Energy: 0.887944367542546
Energy: 1.1138818446487078
Energy: 1.0864764906634032
Energy: 1.1138818446497047
Energy: 1.0864764906644002
Energy: 1.1138818446497047
Energy: 1.0864764906644002
Energy: 1.1427829414848494
Energy: 1.0867592876602792
Energy: 1.1427829414848494
Energy: 1.0867592876602792
Energy: 1.1427829414848494
Energy: 1.086759287658285
Energy: 1.0321913716769695
Energy: 1.0938192149845285
Energy: 1.032191341094028
Energy: 1.0938192149845285
Energy: 1.032191181655686
Energy: 1.0938192149835313
Energy: 0.9896641155131884
Energy: 1.0867212514109907
Energy: 0.9896641155131884
Energy: 1.0867212514099938
Energy: 0.9896641155121915
Energy: 1.0867212514099938
Energy: 1.2556501471567119
Energy: 0.8836890805104581
Energy: 1.2556501471746584
Energy: 0.8836890805104581
Energy: 1.255650147040106
Energy: 0.8836890805104581
Energy: 0.9200705097153119
Energy: 1.2765050409338885
Energy: 0.9200705097153119
Energy: 1.2765050409328913
Energy: 0.9200705097143148
Energy: 1.2765050409328913
Energy: 1.2527268009765604
Energy: 0.8910968687284547
Energy: 1.2527268006855663
Energy: 0.8910968687294517
Energy: 1.2527268003058833
Energy: 0.8910968687284547
Energy: 1.1266491891732089
Energy: 1.1205375275691905
Energy: 1.1266491891732089
Energy: 1.1205375275691905
Energy: 1.1266491891732089
Energy: 1.1205375275691905
Energy: 1.324990911881283
Energy: 1.0029875655431284
Energy: 1.324990911881283
Energy: 1.0029875655441256
Energy: 1.324990911881283
Energy: 1.0029875655431284
Energy: 1.0632452593944606
Energy: 1.0185690979784356
Energy: 1.0632452593944606
Energy: 1.0185690979784356
Energy: 1.0632452593944606
Energy: 1.0185690979784356
Energy: 1.0832122954538788
Energy: 1.1196856258093801
Energy: 1.0832122954538788
Energy: 1.1196856258093801
Energy: 1.0832122954528818
Energy: 1.1196856258093801
Energy: 1.1386432127885697
Energy: 1.0866752904646237
Energy: 1.1386432127885697
Energy: 1.0866752904636268
Energy: 1.1386432127885697
Energy: 1.0866752904646237
Energy: 1.1145207573199565
Energy: 1.2098526648244723
Energy: 1.1145207573199565
Energy: 1.2098526648254693
Energy: 1.1145207573199565
Energy: 1.2098526648264665
Energy: 1.0332175717960947
Energy: 1.0880248338115894
Energy: 1.0332175717980887
Energy: 1.0880248338125866
Energy: 1.0332175717980887
Energy: 1.0880248338125866

minimum gb energy = 0.8836890805104581 eV
minimum distance =  2.30603383444211 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.8690659781527577
Energy: 0.8488168390676204
Energy: 0.8690659781533491
Energy: 0.8488168390676204
Energy: 0.8690659781527577
Energy: 0.8488168390676204
Energy: 0.9487523692137414
Energy: 1.13200758650421
Energy: 0.9487523692137414
Energy: 1.13200758650421
Energy: 0.9487523692137414
Energy: 1.1320075865048012
Energy: 0.8032801560832926
Energy: 1.1291108120776003
Energy: 0.8032801560827012
Energy: 1.129110812078783
Energy: 0.8032801560832926
Energy: 1.1291108120776003
Energy: 0.908990849461202
Energy: 0.8034884670737954
Energy: 0.9089908494606106
Energy: 0.8034884670743869
Energy: 0.9089908494606106
Energy: 0.8034884670737954
Energy: 0.8447546537344642
Energy: 0.8656022257640845
Energy: 0.8447546537350556
Energy: 0.8656022257640845
Energy: 0.8447546537350556
Energy: 0.8656022257646759
Energy: 0.8448879165353129
Energy: 0.8655051354459234
Energy: 0.8448879165347215
Energy: 0.8655051354459234
Energy: 0.8448879165341301
Energy: 0.8655051354459234
Energy: 0.9089619439379003
Energy: 0.8034825201891848
Energy: 0.9089619439373089
Energy: 0.8034825201891848
Energy: 0.9089619439379003
Energy: 0.8034825201891848
Energy: 0.8032825308107462
Energy: 1.1292435796865088
Energy: 0.8032825308107462
Energy: 1.1292435796871003
Energy: 0.8032825308113376
Energy: 1.1292435796876916
Energy: 0.9486850822000014
Energy: 1.131948040539269
Energy: 0.9486850821988184
Energy: 1.1319480405398603
Energy: 0.9486850821988184
Energy: 1.131948040539269
Energy: 0.8690659781527577
Energy: 0.8488168390676204
Energy: 0.8690659781533491
Energy: 0.8488168390676204
Energy: 0.8690659781527577
Energy: 0.8488168390676204
Energy: 0.9487523692125588
Energy: 1.13200758650421
Energy: 0.9487523692119673
Energy: 1.13200758650421
Energy: 0.9487523692143328
Energy: 1.13200758650421
Energy: 0.8032801560832926
Energy: 1.1291108120764173
Energy: 0.8032801560832926
Energy: 1.1291108120776003
Energy: 0.8032801560832926
Energy: 1.1291108120770088
Energy: 0.9089908494606106
Energy: 0.8034884670743869
Energy: 0.9089908494606106
Energy: 0.8034884670743869
Energy: 0.9089908494606106
Energy: 0.8034884670737954
Energy: 0.8447546537350556
Energy: 0.8656022257646759
Energy: 0.8447546537344642
Energy: 0.8656022257646759
Energy: 0.8447546537344642
Energy: 0.8656022257646759
Energy: 0.8448879165347215
Energy: 0.8655051354453323
Energy: 0.8448879165347215
Energy: 0.8655051354453323
Energy: 0.8448879165347215
Energy: 0.8655051354453323
Energy: 0.9089619439379003
Energy: 0.8034825201897762
Energy: 0.9089619439373089
Energy: 0.8034825201885932
Energy: 0.9089619439373089
Energy: 0.8034825201891848
Energy: 0.8032825308107462
Energy: 1.1292435796871003
Energy: 0.8032825308107462
Energy: 1.1292435796865088
Energy: 0.8032825308113376
Energy: 1.1292435796865088
Energy: 0.9486850821988184
Energy: 1.1319480405398603
Energy: 0.9486850822000014
Energy: 1.1319480405398603
Energy: 0.9486850821994098
Energy: 1.1319480405398603
Energy: 0.8690659781533491
Energy: 0.8488168390676204
Energy: 0.8690659781527577
Energy: 0.8488168390676204
Energy: 0.8690659781533491
Energy: 0.8488168390676204
Energy: 0.9487523692113758
Energy: 1.13200758650421
Energy: 0.9487523692113758
Energy: 1.13200758650421
Energy: 0.9487523692125588
Energy: 1.13200758650421
Energy: 0.8032801560832926
Energy: 1.1291108120776003
Energy: 0.8032801560832926
Energy: 1.1291108120781916
Energy: 0.8032801560832926
Energy: 1.1291108120776003
Energy: 0.9089908494606106
Energy: 0.8034884670743869
Energy: 0.908990849461202
Energy: 0.8034884670737954
Energy: 0.9089908494606106
Energy: 0.8034884670737954
Energy: 0.8447546537350556
Energy: 0.8656022257646759
Energy: 0.8447546537350556
Energy: 0.8656022257646759
Energy: 0.8447546537344642
Energy: 0.8656022257646759
Energy: 0.8448879165347215
Energy: 0.8655051354453323
Energy: 0.8448879165341301
Energy: 0.8655051354453323
Energy: 0.8448879165347215
Energy: 0.8655051354453323
Energy: 0.9089619439379003
Energy: 0.8034825201891848
Energy: 0.9089619439379003
Energy: 0.8034825201891848
Energy: 0.9089619439379003
Energy: 0.8034825201885932
Energy: 0.8032825308107462
Energy: 1.1292435796865088
Energy: 0.8032825308113376
Energy: 1.1292435796859173
Energy: 0.8032825308107462
Energy: 1.1292435796859173
Energy: 0.9486850822000014
Energy: 1.1319480405398603
Energy: 0.948685082198227
Energy: 1.1319480405398603
Energy: 0.9486850821976358
Energy: 1.1319480405398603
Energy: 0.8690659781533491
Energy: 0.8488168390676204
Energy: 0.8690659781533491
Energy: 0.8488168390676204
Energy: 0.8690659781533491
Energy: 0.8488168390676204
Energy: 0.9487523692137414
Energy: 1.13200758650421
Energy: 0.9487523692125588
Energy: 1.1320075865048012
Energy: 0.9487523692125588
Energy: 1.13200758650421
Energy: 0.8032801560832926
Energy: 1.1291108120776003
Energy: 0.8032801560832926
Energy: 1.1291108120770088
Energy: 0.8032801560832926
Energy: 1.1291108120781916

minimum gb energy = 0.8032801560827012 eV
minimum distance =  2.31910078407124 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.8482481791135904
Energy: 0.8114584888309196
Energy: 0.8482481791135904
Energy: 0.8114584888309196
Energy: 0.8482481791135904
Energy: 0.8114584888309196
Energy: 1.0034888291630841
Energy: 0.8344449603881405
Energy: 1.0034888243036353
Energy: 0.8344449603881405
Energy: 1.0034888162875428
Energy: 0.8344449603866917
Energy: 0.765125788629061
Energy: 0.9542529061209409
Energy: 0.765125788629061
Energy: 0.9542529061223896
Energy: 0.765125788629061
Energy: 0.9542529061209409
Energy: 1.0033115572524485
Energy: 0.7887130707248121
Energy: 1.0033115568759678
Energy: 0.7887130707248121
Energy: 1.003311555720483
Energy: 0.7887130707248121
Energy: 1.0026818748201665
Energy: 0.7886504704346222
Energy: 1.0026818748216149
Energy: 0.7886504704346222
Energy: 1.0026818748216149
Energy: 0.7886504704346222
Energy: 1.0211229060454736
Energy: 1.0765096285157636
Energy: 1.0211229060469222
Energy: 1.0765096285157636
Energy: 1.0211229060454736
Energy: 1.0765096285157636
Energy: 0.8319615919628145
Energy: 0.8374833616285683
Energy: 0.8319615919613659
Energy: 0.8374833616285683
Energy: 0.8319615919628145
Energy: 0.8374833616285683
Energy: 0.8405303924343617
Energy: 0.8138817019491267
Energy: 0.8405303924343617
Energy: 0.8138817019491267
Energy: 0.8405303924358104
Energy: 0.8138817019491267
Energy: 1.0037460957481428
Energy: 0.8321583663627858
Energy: 1.0037460957466942
Energy: 0.8321583675226163
Energy: 1.0037460957466942
Energy: 0.8321583683566685
Energy: 0.9898449564764572
Energy: 1.026229043154409
Energy: 0.9898449564764572
Energy: 1.026229043154409
Energy: 0.9898449564764572
Energy: 1.0262290431529602
Energy: 0.8138127107699542
Energy: 0.7903610524899092
Energy: 0.8138127107699542
Energy: 0.7903610524899092
Energy: 0.8138127107714029
Energy: 0.7903610524899092
Energy: 1.1187523989426293
Energy: 0.9835408833895671
Energy: 1.1187523989426293
Energy: 0.9835408833895671
Energy: 1.1187523989426293
Energy: 0.9835408833881185

minimum gb energy = 0.765125788629061 eV
minimum distance =  2.30122767877627 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.9336626915091241
Energy: 0.7340724961019033
Energy: 0.9336626915099381
Energy: 0.7340724961027174
Energy: 0.9336626915103453
Energy: 0.7340724961027174
Energy: 0.8180677472795755
Energy: 0.7243142883653118
Energy: 0.8180677450422713
Energy: 0.7243142883661259
Energy: 0.8180677446488568
Energy: 0.7243142883661259
Energy: 0.7109109993095576
Energy: 0.8247476217391566
Energy: 0.7109109993091506
Energy: 0.8247476217603222
Energy: 0.7109109993095576
Energy: 0.824747621744855
Energy: 0.7626511222583967
Energy: 0.7283317989228825
Energy: 0.7626511222583967
Energy: 0.7283317989200333
Energy: 0.7626511222579897
Energy: 0.7283317989204403
Energy: 0.8166410123668935
Energy: 0.7810867487037869
Energy: 0.8166410123664865
Energy: 0.781086748704194
Energy: 0.8166410123677076
Energy: 0.781086748704194
Energy: 0.8497527324487615
Energy: 0.8230682428744663
Energy: 0.8497527324528318
Energy: 0.8230682440999274
Energy: 0.8497527324353293
Energy: 0.8230682447362287
Energy: 0.8172828422970811
Energy: 0.8365566502582715
Energy: 0.8172828422983022
Energy: 0.8365566502586785
Energy: 0.8172828423035937
Energy: 0.8365566502578645
Energy: 0.7099143291039001
Energy: 0.8190156893179786
Energy: 0.7099143291043071
Energy: 0.8190156893183856
Energy: 0.7099143291039001
Energy: 0.8190156893179786
Energy: 0.785692085866751
Energy: 0.7818294524739164
Energy: 0.7856921263390443
Energy: 0.7818294524739164
Energy: 0.7856921526122643
Energy: 0.7818294524739164
Energy: 0.7837601675525152
Energy: 0.7975504422251432
Energy: 0.7837601675537362
Energy: 0.7975504421669745
Energy: 0.7837601675346058
Energy: 0.7975504421547637
Energy: 0.7597727516746904
Energy: 0.7369626058175306
Energy: 0.7597727516755045
Energy: 0.7369626058175306
Energy: 0.7597727516746904
Energy: 0.7369626058175306
Energy: 0.7516359565253179
Energy: 0.8317503773488458
Energy: 0.7516359565253179
Energy: 0.8317503773455897
Energy: 0.7516359565253179
Energy: 0.8317503773435544
Energy: 0.29846584489379163
Energy: 0.8111071430529688
Energy: 0.43637083705834445
Energy: 0.8111071430521548
Energy: 0.43573159782312804
Energy: 0.811107143053783
Energy: 0.9281208974731242
Energy: 0.6535717448028209
Energy: 0.928120897472717
Energy: 0.6536221621556383
Energy: 0.9281208974759734
Energy: 0.6534504251423813
Energy: 0.7341086453230425
Energy: 0.8015210818008865
Energy: 0.7341086453230425
Energy: 0.8015210818000725
Energy: 0.7341086453234495
Energy: 0.8015210818008865
Energy: 0.6404646420019257
Energy: 0.8651118003534448
Energy: 0.6402680016232896
Energy: 0.865111800355887
Energy: 0.640552926068195
Energy: 0.8651118003729823
Energy: 0.9678687323191357
Energy: 0.7292338781410843
Energy: 0.9678687323183215
Energy: 0.7292338781398633
Energy: 0.9678687323179145
Energy: 0.7292338781439336
Energy: 0.7503194306834432
Energy: 0.7433445781975112
Energy: 0.7503194306842573
Energy: 0.7433445781975112
Energy: 0.7503194306842573
Energy: 0.7433445781975112
Energy: 0.7121528944891284
Energy: 0.9741547495343456
Energy: 0.7121528944891284
Energy: 0.9741547495355667
Energy: 0.7121528944887213
Energy: 0.9741547495343456
Energy: 0.9048182675584208
Energy: 0.6779762154928023
Energy: 0.9048182675567927
Energy: 0.7241512767787728
Energy: 0.904818267559235
Energy: 0.7241512767783658
Energy: 0.7121646825460187
Energy: 0.9739513035250466
Energy: 0.7121646825460187
Energy: 0.9739513035246395
Energy: 0.7121646825468329
Energy: 0.9739513035246395
Energy: 0.7505513653598653
Energy: 0.7436648190366871
Energy: 0.7505513653627146
Energy: 0.7436648190366871
Energy: 0.7505513653610865
Energy: 0.7436648190370941
Energy: 0.9677346430346958
Energy: 0.7291292540820955
Energy: 0.9677346430351028
Energy: 0.7291292540833166
Energy: 0.9677346430342886
Energy: 0.7291292540808744
Energy: 0.6283270906389292
Energy: 0.9098060759412836
Energy: 0.6316480762083958
Energy: 0.9098060759400626
Energy: 0.6425658724143979
Energy: 0.9098060759376204
Energy: 0.7340096325991207
Energy: 0.8014860274710625
Energy: 0.7340096325991207
Energy: 0.8014860274714695
Energy: 0.7340096325991207
Energy: 0.8014860274710625
Energy: 0.9279623918379887
Energy: 0.8061828898983511
Energy: 0.9279623918371745
Energy: 0.8061828898950949
Energy: 0.9279623918225214
Energy: 0.8061828898967229
Energy: 0.32992584912293454
Energy: 0.810876298340523
Energy: 0.43688253939056776
Energy: 0.8108762983372666
Energy: 0.4354367942283684
Energy: 0.810876298341337
Energy: 0.7514014812514036
Energy: 0.823327842025096
Energy: 0.7514014812518106
Energy: 0.8233278420234679
Energy: 0.7514014812509966
Energy: 0.82332784202591
Energy: 0.7600634484065163
Energy: 0.7370107219581709
Energy: 0.7600634484057022
Energy: 0.7370107219581709
Energy: 0.760063448404481
Energy: 0.7370107219577638
Energy: 0.7837310103326425
Energy: 0.9110082605184011
Energy: 0.7837310103448534
Energy: 0.9110084087907043
Energy: 0.7837310103481097
Energy: 0.9110086510699763
Energy: 0.7859561120163948
Energy: 0.7815785071618891
Energy: 0.7859561132471101
Energy: 0.7815785071578187
Energy: 0.785956114574255
Energy: 0.781578507160668
Energy: 0.7099474200769685
Energy: 0.8188470136081933
Energy: 0.7099474200777827
Energy: 0.8188470136090072
Energy: 0.7099474200773755
Energy: 0.8188470136094143
Energy: 0.8173479161699645
Energy: 0.8366685299822741
Energy: 0.8173479161663013
Energy: 0.8366685299818669
Energy: 0.8173479161675223
Energy: 0.8366685299818669
Energy: 0.8495010541677277
Energy: 0.8232824505292524
Energy: 0.849501054171798
Energy: 0.8232824497330617
Energy: 0.8495010541660997
Energy: 0.8232824477464147
Energy: 0.8165015115441107
Energy: 0.7813769122669196
Energy: 0.8165015115445179
Energy: 0.7813769122665126
Energy: 0.8165015115441107
Energy: 0.7813769122665126
Energy: 0.7620473202195651
Energy: 0.7282173317932045
Energy: 0.7620473202187511
Energy: 0.7282173317932045
Energy: 0.7620473202187511
Energy: 0.7282173317940186
Energy: 0.7106342324613878
Energy: 0.825044296671978
Energy: 0.7106342324605738
Energy: 0.8250442966898875
Energy: 0.7106342324617949
Energy: 0.8250442966740131
Energy: 0.8204101085581382
Energy: 0.7209982509620053
Energy: 0.8204101090174547
Energy: 0.7209982509615983
Energy: 0.8204101089767886
Energy: 0.7209982509611913
Energy: 0.9336626915079032
Energy: 0.7340724961039385
Energy: 0.9336626915083102
Energy: 0.7340724961031244
Energy: 0.9336626915074959
Energy: 0.7340724961035315
Energy: 0.8180677467880664
Energy: 0.7620696153068023
Energy: 0.818067746277908
Energy: 0.7620696153068023
Energy: 0.8180677484411326
Energy: 0.7620696153059883
Energy: 0.7109109993087435
Energy: 0.8247476218168627
Energy: 0.7109109993087435
Energy: 0.8247476218258173
Energy: 0.7109109993075223
Energy: 0.8247476218425055
Energy: 0.7626511222579897
Energy: 0.7283317989216613
Energy: 0.7626511222588037
Energy: 0.7283317989220685
Energy: 0.7626511222579897
Energy: 0.7283317989224755
Energy: 0.8166410123664865
Energy: 0.7810867487025659
Energy: 0.8166410123660794
Energy: 0.7810867487021589
Energy: 0.8166410123668935
Energy: 0.7810867487021589

minimum gb energy = 0.29846584489379163 eV
minimum distance =  2.35151656217049 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.7845330975679105
Energy: 0.5984467846252514
Energy: 0.38913810658817066
Energy: 0.598446784626178
Energy: 0.7845330975688369
Energy: 0.5984467846252514
Energy: -0.15192077857161293
Energy: 0.6299695363646697
Energy: -0.15192078082953256
Energy: 0.542426940040673
Energy: -0.1519207810564111
Energy: 0.6299695363655962
Energy: 0.4848457177194292
Energy: 0.4401457153593052
Energy: 0.4848457177166496
Energy: 0.23745257669926084
Energy: 0.4848457176981186
Energy: 0.4401457153398476
Energy: 0.5951585974810429
Energy: 0.4923594786533841
Energy: 0.5951585974810429
Energy: 0.3890318984313588
Energy: 0.5951585974819695
Energy: 0.49235947865431057
Energy: -0.06974885573515621
Energy: 0.6087679086524185
Energy: -0.0697489087881391
Energy: 0.6087679086533451
Energy: -0.06974860930246735
Energy: 0.6087679086533451
Energy: 0.33262975412693263
Energy: 0.4504552746639494
Energy: 0.33262975412600604
Energy: 0.45045527469359903
Energy: 0.3326297541278591
Energy: 0.4504552747398844
Energy: 0.33268690761863395
Energy: 0.32881101140791286
Energy: 0.3326869076177074
Energy: 0.32881101140883934
Energy: 0.3326869076177074
Energy: 0.32881101141069247
Energy: -0.3492797467630576
Energy: 0.34896626326581076
Energy: -0.3492797513807753
Energy: 0.3489662632676639
Energy: -0.3492797460851174
Energy: 0.34896626326581076
Energy: 0.5991705826258963
Energy: 0.3890120651666418
Energy: 0.5991705826258963
Energy: 0.4922041543701584
Energy: 0.5991705826258963
Energy: 0.38901206516942144
Energy: 0.3288129663499106
Energy: 0.5121669273371691
Energy: 0.3288129663499106
Energy: 0.5121669272945898
Energy: 0.3288129663499106
Energy: 0.5121669272991805
Energy: 0.3536474337094541
Energy: 0.5443052592156589
Energy: 0.3536474337094541
Energy: 0.544305259217512
Energy: 0.3536474337094541
Energy: 0.5443052592184385
Energy: 0.7845330975669836
Energy: 0.598446784626178
Energy: 0.38913810658909714
Energy: 0.598446784626178
Energy: 0.7845330975679105
Energy: 0.598446784626178
Energy: -0.15192078066191114
Energy: 0.6299695363646697
Energy: -0.15192077693604053
Energy: 0.5424269400601305
Energy: -0.15192078140744744
Energy: 0.6299695363628166
Energy: 0.48484571771386986
Energy: 0.4401457153787627
Energy: 0.48484571771386986
Energy: 0.23745256135036016
Energy: 0.48484571772591506
Energy: 0.4401457153454069
Energy: 0.5951585974819695
Energy: 0.4923594786533841
Energy: 0.5951585974810429
Energy: 0.3890318984313588
Energy: 0.5951585974819695
Energy: 0.49235947865431057
Energy: -0.06974880784449221
Energy: 0.6087679086496388
Energy: -0.06974867822022898
Energy: 0.6087679086533451
Energy: -0.06974890641073656
Energy: 0.6087679086514919
Energy: 0.33262975412600604
Energy: 0.450455274742664
Energy: 0.33262975412693263
Energy: 0.45045527464912455
Energy: 0.3326297541278591
Energy: 0.4504552746917459
Energy: 0.33268690761863395
Energy: 0.32881101140976593
Energy: 0.3326869076177074
Energy: 0.32881101140976593
Energy: 0.33268690761863395
Energy: 0.32881101141069247
Energy: -0.3492797473094698
Energy: 0.34896626326581076
Energy: -0.34927974795776046
Energy: 0.34896626326951696
Energy: -0.34927974502931297
Energy: 0.3489662632676639

minimum gb energy = -0.3492797513807753 eV
minimum distance =  2.44030889419913 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.5865447342373316
Energy: 0.7705414863767913
Energy: 0.5865447342366529
Energy: 0.77054148637747
Energy: 0.5865447342407252
Energy: 0.77054148637747
Energy: 0.7726556058232762
Energy: 0.7347072241432641
Energy: 0.7726556058219187
Energy: 0.7347072241432641
Energy: 0.7726556058225974
Energy: 0.7347072241432641
Energy: 0.7681849719324307
Energy: 1.1797708811446175
Energy: 0.7681849719344669
Energy: 1.179770881145296
Energy: 0.7681849719337881
Energy: 1.179770881145296
Energy: 0.809794240248369
Energy: 0.0878416801094462
Energy: 0.8097942402429393
Energy: 0.09059539246761432
Energy: 0.8097942402409031
Energy: 0.09179241349330891
Energy: 0.7582014638222592
Energy: 0.5279035653533062
Energy: 0.7582014638222592
Energy: 0.5279035653519487
Energy: 0.7582014638222592
Energy: 0.5279035653533062
Energy: 0.6568342146909814
Energy: 0.8073465335317893
Energy: 0.6568342146909814
Energy: 0.8073465335311107
Energy: 0.6568342146916601
Energy: 0.8073465335311107
Energy: -0.25064789709286217
Energy: 0.9967619262571003
Energy: -0.25059288124208146
Energy: 0.9967619262577789
Energy: -0.41757899582601504
Energy: 0.9967619262577789
Energy: 0.8394149664080232
Energy: -0.376978216997431
Energy: 0.8394149664073444
Energy: -0.23969572077543547
Energy: 0.8394149664080232
Energy: -0.25406618649541235
Energy: 0.7761727960368455
Energy: -0.3062520497219062
Energy: 0.7761727960382031
Energy: -0.3054721947543756
Energy: 0.776172796035488
Energy: -0.22973222514382993
Energy: 0.08531087330636943
Energy: 1.0233936654548637
Energy: 0.0857515222913632
Energy: 1.0233936654528275
Energy: 0.08667478782075166
Energy: 1.0233936654528275
Energy: 0.6998391523266413
Energy: 0.8660747880520351
Energy: 0.6998391523232478
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Energy: 0.9599061172360465
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Energy: 0.21451502230035743
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Energy: -0.04943237569133419
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Energy: -0.07189992942069931
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Energy: 0.6411382703164733
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Energy: 0.641138270315116
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Energy: 0.6411382703062927
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Energy: 0.08602591808491085
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Energy: 0.08613733005445809
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Energy: 0.8664418209393393
Energy: 1.202218032657197
Energy: 0.866441820940018
Energy: 1.2022180326585543
Energy: 0.8664418209393393

minimum gb energy = -0.614733341907949 eV
minimum distance =  2.35700504732345 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: 0.59573262369318
Energy: 0.6658539621569481
Energy: 0.5957326236926451
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Energy: 0.9198771431536754
Energy: 0.5818614694383989
Energy: 0.9198771431531404
Energy: 0.4747673980607351
Energy: 0.9090265085016136
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Energy: 0.47476730430577363
Energy: 0.9090265085010785
Energy: 0.9848333277868587
Energy: 0.4002268971011823
Energy: 0.9848333277873935
Energy: 0.40022689635313574
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Energy: 0.4002268966215318
Energy: -0.3444841798436531
Energy: -0.17500785169625527
Energy: -0.16150830006084552
Energy: -0.1929616423250826
Energy: -0.19728443515054517
Energy: -0.193971397209548
Energy: 0.5802529003595833
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Energy: 0.5802529003595833
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Energy: 0.29173867537902004
Energy: 0.3991462980133237
Energy: 0.29238820383753555
Energy: 0.39914629674555446
Energy: 0.28865762188641003

minimum gb energy = -0.49315533014181206 eV
minimum distance =  2.31931300489381 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: 0.5894663930775356
Energy: 0.6706143619235406
Energy: 0.5894663930775356
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Energy: -0.6068416741287221
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Energy: -0.7962303917076535
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Energy: 0.018681812951147042
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Energy: 0.017886540907693968
Energy: 0.8734128543231774

minimum gb energy = -1.379326721739655 eV
minimum distance =  2.38482921428512 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

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Energy: 0.7175845989948143
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Energy: -0.3032165376966341
Energy: -0.15968328085588002
Energy: -0.30402859454760683
Energy: -0.15972329320357448
Energy: -0.3047529431710886
Energy: -0.15974150611697385
Energy: 0.024258528333994892
Energy: 0.7115445334499375
Energy: 0.024549989168619
Energy: 0.7115445334496808
Energy: 0.024258338603978625
Energy: 0.7115445334496808

minimum gb energy = -0.3047529431710886 eV
minimum distance =  2.39077482151937 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: 0.1824731750336794
Energy: -0.4492073480203366
Energy: -0.38318470703277774
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Energy: -1.76217558638019
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Energy: -1.775013323527087
Energy: -0.371675435563747
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Energy: -1.848199740828125
Energy: -1.880922875924336
Energy: -2.1746353473301547
Energy: -1.4625660121641932
Energy: -2.1958929641565126
Energy: -1.644019610889289
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Energy: -1.8682226583125638
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Energy: -1.8982504336639152
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Energy: -1.7199808087472854
Energy: -1.6719793692872666
Energy: -1.666738037872911
Energy: -1.736245323435668

minimum gb energy = -2.452056182856644 eV
minimum distance =  2.32985789706943 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.9263996247534567
Energy: 0.544419848799945
Energy: 0.8471205591481861
Energy: 0.5444790871651705
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Energy: -0.7439170686936422
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Energy: -0.30082298405906954
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Energy: -0.8318634445283829
Energy: -1.1235723061396432
Energy: -0.8384476127195514
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Energy: -0.3854245554363513
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Energy: -0.7008789805793045
Energy: 0.7591063491162686
Energy: -0.7008714829632241
Energy: 0.7591063491167372
Energy: -0.7009103067211829

minimum gb energy = -1.7283925671688838 eV
minimum distance =  2.33911427838384 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.9144106757660113
Energy: 0.023466686413705768
Energy: 0.9144106757660113
Energy: 0.023705091954561542
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Energy: -0.13641747840619364
Energy: -0.5905250374537193
Energy: -0.12919922688342245
Energy: -0.5617837284034254
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Energy: -0.17967292905369153
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Energy: -0.17930277838923947
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Energy: -0.17970109245092292
Energy: -0.37463330924042476
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Energy: -0.7030442841378938
Energy: 0.07681512698767444
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Energy: 0.028375339937043966
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Energy: 0.8531952304059726
Energy: 0.787198851789275
Energy: 0.8531952304053968
Energy: 0.787198851791002
Energy: 0.8531952304065481
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Energy: -0.1936942112633846
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Energy: -0.16979666851561753
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Energy: -0.168773892651094
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Energy: 0.13802395911872622
Energy: -0.8563050697502668
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Energy: -0.621267367974242
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Energy: 0.7899227984011309
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Energy: 0.7899227984017064
Energy: -0.5454196148657744
Energy: -0.07399667168038554
Energy: -0.4585625916961736
Energy: -0.1020543895339485
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Energy: -0.17848842313561428
Energy: -0.15401986879989954
Energy: -0.17847841044453003
Energy: 0.07592827022810701
Energy: -0.17842954130271438
Energy: -0.050576278688840653
Energy: -0.12956806192769826
Energy: -0.5841209179078485
Energy: -0.1288010237918086
Energy: -0.626850398376734
Energy: -0.14275178096438892
Energy: 0.7467504388614858
Energy: 0.7576645386538153
Energy: 0.7467504388614858
Energy: 0.7576645386538153
Energy: 0.7467504388614858
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Energy: 0.016353314036567142
Energy: -0.9357900514421029
Energy: 0.01637358515171035
Energy: -0.9360716212131215
Energy: 0.01582830775948894
Energy: -0.8528137990392961

minimum gb energy = -1.22095962462014 eV
minimum distance =  2.36916538080781 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -0.007248908560934421
Energy: -0.0076604675934217005
Energy: -0.0007566763431710829
Energy: -0.0076603517279639185
Energy: 0.0050501006502797485
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Energy: -0.36589890883125403
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Energy: -0.3620414018620709
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Energy: 0.7440942523826675
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Energy: 0.7440940321371887
Energy: 0.8299221190210841
Energy: 0.7440932349916474
Energy: 0.8299221190203389
Energy: 0.43245310241299667
Energy: 0.028006399182301894
Energy: 0.4324530971593587
Energy: 0.028297597530524965
Energy: 0.43245308947409017
Energy: 0.028124979106009997
Energy: 0.09021124685819479
Energy: 0.2719399598158459
Energy: 0.08746781316306498
Energy: 0.27271776571122786
Energy: 0.0910016716933016
Energy: 0.08518507774673079
Energy: -0.4156674630403669
Energy: 0.5199508526379928
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Energy: 0.7261402585002661
Energy: 0.7047376161230617
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Energy: 0.7261402584957941
Energy: -0.3403361925092611
Energy: 0.3969389761829362
Energy: -0.3402785642199071
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Energy: -0.3400642878462569
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Energy: -0.35171532877365747
Energy: -0.04724438936519767
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Energy: 0.7065251414551291
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Energy: 0.44778969673351754
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Energy: 0.44778969523014533
Energy: 0.04194445440352297
Energy: 0.4477896969331608
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Energy: 0.09356994221727773
Energy: -0.021126292562146484
Energy: 0.3549612630447364
Energy: -0.367229017374047
Energy: 0.3549612630447364
Energy: -0.3706885567912237
Energy: 0.3549612630447364
Energy: -0.362797559471379
Energy: 0.7156966023144793
Energy: -0.5374401633068756
Energy: 0.7156966023137339
Energy: -0.5374237336715884
Energy: 0.7156966023137339
Energy: -0.5345889705724979
Energy: -1.607929755659678
Energy: -0.36596722848997637
Energy: -1.6749714627451533
Energy: -0.36617466622939293
Energy: -1.2176585750153848
Energy: -0.366484861700282
Energy: 0.09445260160255575
Energy: -0.022615864766662296
Energy: 0.09652643564700233
Energy: -0.022615892796747656
Energy: 0.09574188157285328
Energy: -0.022615918404180077
Energy: 0.4238525530882288
Energy: -0.29501108561533973
Energy: 0.4238525505456137
Energy: -0.29495198195104516
Energy: 0.4238525465152103
Energy: -0.24615102243168
Energy: 0.707121275633594
Energy: 0.6273434710464334
Energy: 0.707121275654429
Energy: 0.6273434710471789
Energy: 0.7071212756209235
Energy: 0.6273434710464334
Energy: -0.2862854654178655
Energy: -0.05713904317156008
Energy: -0.3036992923887249
Energy: -0.05457678563233878
Energy: -0.3019118988208452
Energy: -0.053775082582900875
Energy: -0.35478622967894174
Energy: -0.3913669700232696
Energy: -0.3520850563004241
Energy: -0.39016711956355055
Energy: -0.3521416819830017
Energy: -0.39068522884678986

minimum gb energy = -1.6749714627451533 eV
minimum distance =  2.34118349256152 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.8098659033295328
Energy: 0.7172477000110387
Energy: 0.8098659033295328
Energy: 0.7172477000120926
Energy: 0.8098659033295328
Energy: 0.7172477000120926
Energy: 0.5477694686428972
Energy: 0.538653619465078
Energy: 0.5477694686428972
Energy: 0.5386536194640238
Energy: 0.5477694686460595
Energy: 0.538653619465078
Energy: 0.6956244003732306
Energy: 0.7638072040415943
Energy: 0.6956244003721765
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Energy: 0.6956244003732306
Energy: 0.7638072040415943
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Energy: 0.8838454924083154
Energy: 0.4644039121730978
Energy: 0.8838449286980821
Energy: 0.4644039121741519
Energy: 0.8838428773467389
Energy: 0.8383854839031009
Energy: -0.6393433149189997
Energy: -0.6952705422047833
Energy: -0.7429209443524656
Energy: -0.9813427420602819
Energy: -0.7444861705196668
Energy: 0.7893606144826613
Energy: 0.7493464944842337
Energy: 0.7893606144816072
Energy: 0.7493464944842337
Energy: 0.7893606144826613
Energy: 0.7493464944842337
Energy: 0.7331935864977055
Energy: 0.5659409154667182
Energy: 0.7331935864998136
Energy: 0.5659409154677724
Energy: 0.7331935864987594
Energy: 0.5659409154677724
Energy: 0.46372487040877813
Energy: 0.5080567672590982
Energy: 0.46372487040877813
Energy: 0.5079340355538751
Energy: 0.46372487040877813
Energy: 0.5083338509797183
Energy: -1.1698197586709522
Energy: 0.5761037920820691
Energy: -1.1588610107091897
Energy: 0.5761037920820691
Energy: -1.0409998298308571
Energy: 0.5761037920810149
Energy: 0.5920816715847215
Energy: 0.6668044483095527
Energy: 0.5920816722400453
Energy: 0.6668044483095527
Energy: 0.5920816725561128
Energy: 0.6668044483095527
Energy: 0.5784525803640196
Energy: 0.6688425952452923
Energy: 0.5784525796760686
Energy: 0.6688425952452923
Energy: 0.5784525793726015
Energy: 0.6688425952463464
Energy: 0.3979011919457654
Energy: 0.5775338472338655
Energy: 0.3983671675477913
Energy: 0.5775338472338655
Energy: -0.9604679949160557
Energy: 0.5775338472338655
Energy: 0.5107208145032773
Energy: 0.7494604269869759
Energy: 0.5107208145032773
Energy: 0.7494604269848678
Energy: 0.5107208145053854
Energy: 0.7494604269859219
Energy: 0.7199628490672839
Energy: 0.8256245911077392
Energy: 0.7199628490672839
Energy: 0.8256245911077392
Energy: 0.7199628490672839
Energy: 0.8256245911077392
Energy: 0.5080265015182892
Energy: 0.6755493364644345
Energy: -0.7936010939259635
Energy: 0.6755493364644345
Energy: -0.7988599255541283
Energy: 0.6755493364654885
Energy: -0.9983579879814853
Energy: 0.7501022009389369
Energy: -0.9121047852581509
Energy: 0.7501022009389369
Energy: -0.9106726294995552
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Energy: 0.7191079632491998
Energy: 0.04310763376338565
Energy: 0.7191079632491998
Energy: 0.044263548656972906
Energy: 0.7191079632491998
Energy: 0.04733614783945087

minimum gb energy = -1.1698197586709522 eV
minimum distance =  2.41214685069709 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.7582059870775182
Energy: 0.637522722473542
Energy: 0.7582059870767042
Energy: 0.6375227224723209
Energy: 0.7582059870775182
Energy: 0.6375227224739491
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Energy: 0.4963472812300285
Energy: 0.7226351116801452
Energy: 0.4963472812292144
Energy: 0.7226351116996828
Energy: 0.4963472812292144
Energy: 0.7226351116842155
Energy: 0.629159570895109
Energy: 0.6041567401213658
Energy: 0.629159570895516
Energy: 0.6041567401209588
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Energy: 0.655592585994836
Energy: 0.6566950716169768
Energy: 0.6555925861575745
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Energy: 0.6555925861437355
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Energy: 0.6392665703553981
Energy: 0.6929006925944745
Energy: 0.6392665703680162
Energy: 0.692900692187221
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Energy: 0.6929006924280726
Energy: 0.6120460769005799
Energy: 0.48185691070514625
Energy: 0.6118799491824215
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Energy: 0.6556551643102286
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Energy: 0.7450629058197209
Energy: 0.6776896508995699
Energy: 0.7110356310716147
Energy: 0.6776896508995699
Energy: 0.7110356310712077
Energy: 0.6776896508950925
Energy: 0.7110356310708007
Energy: 0.6368808783327361
Energy: 0.6191070216073892
Energy: 0.636880878331515
Energy: 0.6191070216062051
Energy: 0.6368808783323291
Energy: 0.6191070216062051
Energy: 0.7582059870771112
Energy: 0.6375227224739491
Energy: 0.7582059870771112
Energy: 0.637522722473135
Energy: 0.7582059870775182
Energy: 0.6375227224739491
Energy: 0.6374384483266158
Energy: 0.6559603291402258
Energy: 0.6374384483278369
Energy: 0.6559603291394118
Energy: 0.6374384483266158
Energy: 0.6559603291426681
Energy: 0.6774895985884659
Energy: 0.7109860246042237
Energy: 0.6774895985872448
Energy: 0.7109860246042237
Energy: 0.677489598566079
Energy: 0.7109860246042237
Energy: 0.49634728122880745
Energy: 0.722635111676889
Energy: 0.4963472812300285
Energy: 0.7226351116671201
Energy: 0.4963472812296215
Energy: 0.7226351116541322
Energy: 0.6291595708971441
Energy: 0.6041567401209588
Energy: 0.6291595708983653
Energy: 0.6041567401201446
Energy: 0.6291595708987723
Energy: 0.6041567401201446

minimum gb energy = -0.9177077280787584 eV
minimum distance =  2.36752693895005 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.5936030132848746
Energy: 0.5224000702107878
Energy: 0.5936030132862002
Energy: 0.522400070215427
Energy: 0.5936030132862002
Energy: 0.5224000702114505
Energy: 0.6055488940438851
Energy: 0.600587040839458
Energy: 0.6055488940319558
Energy: 0.6005870408401208
Energy: 0.6055488940471989
Energy: 0.600587040839458
Energy: 0.6239148769461076
Energy: 0.6460265203430875
Energy: 0.6239145415527649
Energy: 0.6460265203430875
Energy: 0.6239137410734488
Energy: 0.6460265203430875
Energy: 0.5799254278900484
Energy: 0.6875439770312161
Energy: 0.5799254278900484
Energy: 0.6875439770305534
Energy: 0.5799254278893857
Energy: 0.6875439770312161
Energy: 0.5970826541265176
Energy: 0.5738868128422527
Energy: 0.59708265411989
Energy: 0.5738868128422527
Energy: 0.5970826541258547
Energy: 0.5738868128429154
Energy: 0.631165643907082
Energy: 0.5966926096914752
Energy: 0.6311656439064192
Energy: 0.5966926096908124
Energy: 0.6311656439057565
Energy: 0.5966926096914752
Energy: 0.5489725767580126
Energy: 0.6675304455928469
Energy: 0.5489725767586753
Energy: 0.6675304455935096
Energy: 0.5489725767593382
Energy: 0.6675304455921841
Energy: 0.49439228572992044
Energy: 0.66504536894592
Energy: 0.494734285027458
Energy: 0.6650453683676453
Energy: 0.4948914952310554
Energy: 0.6650453673699733
Energy: 0.6394265138698453
Energy: 0.5985333982493928
Energy: 0.6394265138698453
Energy: 0.5985333982487299
Energy: 0.6394265138698453
Energy: 0.5985333982493928
Energy: 0.6101974174727746
Energy: 0.6431620387355267
Energy: 0.6101974174727746
Energy: 0.6431620387348638
Energy: 0.6101974174721118
Energy: 0.6431620387361893
Energy: 0.5481391340892794
Energy: 0.5284415717503409
Energy: 0.5481391340853029
Energy: 0.5284691039220621
Energy: 0.5481391340886167
Energy: 0.5284673658653498
Energy: 0.6575285745338566
Energy: 0.5705192097481859
Energy: 0.6575285745338566
Energy: 0.570519209747523
Energy: 0.6575285745331938
Energy: 0.5705192097468603
Energy: 0.6092390033839732
Energy: 0.6445246260354615
Energy: 0.6092390033833104
Energy: 0.6445246260367868
Energy: 0.6092390033846359
Energy: 0.6445246260354615
Energy: 0.6000384038010484
Energy: 0.6354208927239889
Energy: 0.6000384038017113
Energy: 0.6354208927233261
Energy: 0.6000384038003856
Energy: 0.6354208927239889
Energy: 0.7009317331539586
Energy: 0.6107076464335941
Energy: 0.7009317331532957
Energy: 0.6107076464355823
Energy: 0.7009317331539586
Energy: 0.6107076464329314
Energy: 0.6071073394543602
Energy: 0.6094205729155525
Energy: 0.6071073394543602
Energy: 0.609420572914227
Energy: 0.6071073394543602
Energy: 0.6094205729148898
Energy: 0.6378926902702825
Energy: 0.6109170648087842
Energy: 0.6378926902709453
Energy: 0.6109170648094469
Energy: 0.637892690271608
Energy: 0.6109170648101097
Energy: 0.5913232772316969
Energy: 0.6113663342546954
Energy: 0.5913232772303713
Energy: 0.6113663342540328
Energy: 0.5913232772297086
Energy: 0.611366334250719
Energy: 0.5867200336164213
Energy: 0.6471707281961848
Energy: 0.5867200336157586
Energy: 0.6471707281975103
Energy: 0.5867200336164213
Energy: 0.6471707281961848
Energy: 0.5909274380240821
Energy: 0.6842252465240044
Energy: 0.590927438024745
Energy: 0.6842252465246672
Energy: 0.5909274380240821
Energy: 0.6842252465240044
Energy: 0.605105229277231
Energy: 0.6272597648996135
Energy: 0.6051052292752428
Energy: 0.627259764900939
Energy: 0.6051052292706035
Energy: 0.6272597649022645
Energy: 0.5777282374722803
Energy: 0.6485760688475274
Energy: 0.5777282374722803
Energy: 0.6485760688521667
Energy: 0.5777282374722803
Energy: 0.648576068848853
Energy: 0.6274027765863144
Energy: 0.6611183480381297
Energy: 0.6274027765856516
Energy: 0.6611183480387925
Energy: 0.6274027765856516
Energy: 0.6611183480387925
Energy: 0.6595692377782582
Energy: 0.6144487105296014
Energy: 0.6595692377795837
Energy: 0.6144487105302641
Energy: 0.6595692377795837
Energy: 0.6144487105355662
Energy: 0.48645088740792153
Energy: 0.6246838268275489
Energy: 0.5598482202850313
Energy: 0.6246838268268862
Energy: 0.4868897230589286
Energy: 0.6246838268262235
Energy: 0.6070246584085197
Energy: 0.6599405646943656
Energy: 0.607024658407857
Energy: 0.6599405646943656
Energy: 0.6070246584085197
Energy: 0.6599405646950284
Energy: 0.5739122246843111
Energy: 0.6365946991204479
Energy: 0.5739122246849738
Energy: 0.6365946991204479
Energy: 0.5739122246836483
Energy: 0.6365946991197851

minimum gb energy = 0.48645088740792153 eV
minimum distance =  2.36743742300186 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.5697072368986197
Energy: 0.5237555491993171
Energy: 0.5697072368986197
Energy: 0.5237555491993171
Energy: 0.5697072369010341
Energy: 0.5237555491997999
Energy: 0.5912048869084879
Energy: 0.5845728058809644
Energy: 0.5912048869089709
Energy: 0.5845728058804815
Energy: 0.5912048869084879
Energy: 0.5845728058804815
Energy: 0.5735878383242423
Energy: 0.5833399097653645
Energy: 0.573587838325208
Energy: 0.5833399097653645
Energy: 0.5735878383247252
Energy: 0.5833399097653645
Energy: 0.6181419695693714
Energy: 0.5734087656001366
Energy: 0.6181419695669571
Energy: 0.5734087656011024
Energy: 0.6181419695684057
Energy: 0.5734087656006195
Energy: 0.592328730860625
Energy: 0.5441608979835902
Energy: 0.592328730860142
Energy: 0.5441608979835902
Energy: 0.5923287308591763
Energy: 0.5441608979835902
Energy: 0.5214559575028951
Energy: 0.5200598482049262
Energy: 0.5214559575024122
Energy: 0.5200598482044434
Energy: 0.5214559575014465
Energy: 0.5200598482044434
Energy: 0.49143875122126446
Energy: 0.5635553422907102
Energy: 0.4914387512367166
Energy: 0.5635553422907102
Energy: 0.491438751262792
Energy: 0.5635553422907102
Energy: 0.5916441965388112
Energy: 0.46801811551325423
Energy: 0.5916441965388112
Energy: 0.46801811551518585
Energy: 0.5916441965383282
Energy: 0.46801811551277145
Energy: 0.5065355083839579
Energy: 0.5106437265120652
Energy: 0.5065355083844407
Energy: 0.5106437265120652
Energy: 0.5065355083839579
Energy: 0.5106437265120652
Energy: 0.5981452365730414
Energy: 0.5377141365431094
Energy: 0.5981452365720756
Energy: 0.5377141365435922
Energy: 0.5981452365725586
Energy: 0.5377141365435922
Energy: 0.6602598366837645
Energy: 0.4838753989801739
Energy: 0.6602598366827988
Energy: 0.4838753997017701
Energy: 0.6602598366837645
Energy: 0.4838754022068128
Energy: 0.5134748311262541
Energy: 0.5119179527215046
Energy: 0.5134748311262541
Energy: 0.5119179527205389
Energy: 0.513474831126737
Energy: 0.5119179527205389
Energy: 0.598308651049599
Energy: 0.5122364778982111
Energy: 0.598308651049599
Energy: 0.512236477898694
Energy: 0.5983086510500819
Energy: 0.5122364778982111
Energy: 0.6517761354941415
Energy: 0.4910399440886306
Energy: 0.6517761354941415
Energy: 0.4910399761100243
Energy: 0.6517761354946243
Energy: 0.49104003095081317
Energy: 0.5301214261286068
Energy: 0.5130054753777644
Energy: 0.5301214261295725
Energy: 0.5130054753782474
Energy: 0.5301214261290896
Energy: 0.5130054753801788
Energy: 0.5446585527277769
Energy: 0.5215154350413668
Energy: 0.5446585527282597
Energy: 0.5215154350418497
Energy: 0.5446585527272939
Energy: 0.5215154350413668
Energy: 0.49168364343673027
Energy: 0.5637371969917022
Energy: 0.4916836434198295
Energy: 0.5637367125690943
Energy: 0.49168364341403503
Energy: 0.56373492008347
Energy: 0.5456855005351002
Energy: 0.4897436165579125
Energy: 0.5456855005351002
Energy: 0.48974361655742965
Energy: 0.5456855005355832
Energy: 0.4897436165593611
Energy: 0.544295537687258
Energy: 0.542175530597145
Energy: 0.544295537687258
Energy: 0.5421755305976279
Energy: 0.544295537687258
Energy: 0.5421755305966621
Energy: 0.5229874376792586
Energy: 0.508407846946807
Energy: 0.5229874376787758
Energy: 0.5084078469477726
Energy: 0.5229874376782929
Energy: 0.5084078469477726
Energy: 0.5868446923016355
Energy: 0.5383654095070236
Energy: 0.5868446923021183
Energy: 0.5383654095041264
Energy: 0.5868446923011527
Energy: 0.5383654095070236
Energy: 0.5910922105513895
Energy: 0.5880434450406136
Energy: 0.5910922105523553
Energy: 0.5880434450406136
Energy: 0.5910922105518723
Energy: 0.5880434450406136
Energy: 0.5429247024918369
Energy: 0.5840029207912367
Energy: 0.5429247024918369
Energy: 0.5840029207912367
Energy: 0.5429247024913539
Energy: 0.5840029207912367
Energy: 0.5408001700302346
Energy: 0.5267308657224039
Energy: 0.540800170028786
Energy: 0.5267308657209553
Energy: 0.5408001700312004
Energy: 0.5267308657224039
Energy: 0.5454110393189123
Energy: 0.5376251122856912
Energy: 0.5454110393184294
Energy: 0.5376251122871399
Energy: 0.5454110393179465
Energy: 0.5376251122856912
Energy: 0.5485519099244659
Energy: 0.5664681754978486
Energy: 0.5485519099254317
Energy: 0.5664681754978486
Energy: 0.5485519099244659
Energy: 0.5664681754978486
Energy: 0.5424324523635484
Energy: 0.5062474743671228
Energy: 0.5424324523645142
Energy: 0.5062474743680886
Energy: 0.5424324523645142
Energy: 0.5062474743671228
Energy: 0.5141961658594534
Energy: 0.5665342464933801
Energy: 0.5141961658594534
Energy: 0.5665342464933801
Energy: 0.5141961658589704
Energy: 0.566534246493863
Energy: 0.5051045186520813
Energy: 0.5376129862570529
Energy: 0.5051045186515984
Energy: 0.5376129862570529
Energy: 0.5051045186525641
Energy: 0.5376129862570529
Energy: 0.5273192619839471
Energy: 0.4682798679739409
Energy: 0.5273192619858788
Energy: 0.4682784524765762
Energy: 0.5273192619853958
Energy: 0.46827721543855255
Energy: 0.46484481206728384
Energy: 0.5700343684406893
Energy: 0.4648448120668009
Energy: 0.5700343684402065
Energy: 0.46484481206776673
Energy: 0.5700343684397235
Energy: 0.5056687804272841
Energy: 0.5222656061803714
Energy: 0.5056687804282499
Energy: 0.5222656061803714
Energy: 0.5056687804282499
Energy: 0.5222656061803714
Energy: 0.5109190751619326
Energy: 0.5760725034465876
Energy: 0.5109190751628983
Energy: 0.5760725034461046
Energy: 0.5109190751609668
Energy: 0.5760725034465876
Energy: 0.48641930206997946
Energy: 0.438855521207968
Energy: 0.48641932534982135
Energy: 0.43875207341486744
Energy: 0.4864193391728366
Energy: 0.438807617177525
Energy: 0.5260375091216246
Energy: 0.5058028715160838
Energy: 0.526037509120176
Energy: 0.5058028715146352
Energy: 0.5260375091221076
Energy: 0.5058028715146352
Energy: 0.4606644206322242
Energy: 0.49856389210263496
Energy: 0.4606644206331899
Energy: 0.4985638921016693
Energy: 0.4606644206327071
Energy: 0.4985638921040837

minimum gb energy = 0.43875207341486744 eV
minimum distance =  2.3559360807836 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.00684325139623409
Energy: 0.7344746632506761
Energy: 0.04130607462880705
Energy: 0.7344746632506761
Energy: 0.04130607462880705
Energy: 0.7344746632524504
Energy: 0.04130607462880705
Energy: 0.734470048709955
Energy: 0.04109182438947373
Energy: 0.734470048709955
Energy: 0.041091824391247936
Energy: 0.734470048709955
Energy: 0.04109182438947373
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: 0.7344746632506761
Energy: 0.04130607463235547
Energy: 0.7344746632506761
Energy: 0.04130607463235547
Energy: 0.7344746632506761
Energy: 0.04130607463235547
Energy: 0.734470048709955
Energy: 0.04109182438769952
Energy: 0.734470048709955
Energy: 0.041091824385925305
Energy: 0.734470048709955
Energy: 0.041091824385925305
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: 0.7344746632524504
Energy: 0.041306074637678096
Energy: 0.7344746632506761
Energy: 0.041306074637678096
Energy: 0.7344746632506761
Energy: 0.04130607463590389
Energy: 0.734470048709955
Energy: 0.04109182438060267
Energy: 0.734470048709955
Energy: 0.04109182438060267
Energy: 0.734470048709955
Energy: 0.04109182437882847
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.006843251394459881
Energy: -0.03442255155295055
Energy: -0.006843251394459881

minimum gb energy = -0.03442255155295055 eV
minimum distance =  2.52924490056888 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.3619440152329811
Energy: 0.3546895339610653
Energy: 0.3619440152324502
Energy: 0.3546895339610653
Energy: 0.3619440152329811
Energy: 0.3546895339610653
Energy: 0.22007227560917272
Energy: 0.28282113695283595
Energy: 0.22007227561076556
Energy: 0.28282113695283595
Energy: 0.2200722756112965
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Energy: 0.35351205404619507
Energy: 0.26812153881016587
Energy: 0.353512054046726
Energy: 0.2681215388096349
Energy: 0.353512054046726
Energy: 0.26812153881175865
Energy: 0.2971003539531374
Energy: 0.2854445514144793
Energy: 0.2971003539520755
Energy: 0.2854445511172992
Energy: 0.2971003539526065
Energy: 0.28544454933624663
Energy: 0.2879917480808737
Energy: 0.283227190903023
Energy: 0.2879917480803428
Energy: 0.283227190903023
Energy: 0.2879917480808737
Energy: 0.283227190903023
Energy: 0.33588964978083163
Energy: 0.2991780124473131
Energy: 0.33588964977923885
Energy: 0.2991780124473131
Energy: 0.335889649778177
Energy: 0.2991780124473131
Energy: 0.31350154820546594
Energy: 0.4333103136625304
Energy: 0.31350154820599685
Energy: 0.43331031366359235
Energy: 0.31350154820546594
Energy: 0.4333103136625304
Energy: 0.15152634190213102
Energy: 0.2855742201119667
Energy: 0.15152634190106914
Energy: 0.2855742201124976
Energy: 0.1515263419047857
Energy: 0.2855742201119667
Energy: 0.3470586942259543
Energy: 0.31037088844083166
Energy: 0.3470586942264853
Energy: 0.31037088844083166
Energy: 0.3470586942280781
Energy: 0.31037088844083166
Energy: 0.31320190445962226
Energy: 0.2781914114221256
Energy: 0.3132019044601532
Energy: 0.27819141142478027
Energy: 0.31320190445962226
Energy: 0.278191411426904
Energy: -1.2668349159860892
Energy: 0.2855029553460932
Energy: -1.2846425309047929
Energy: 0.2855029553471551
Energy: -1.2680093800554217
Energy: 0.2855029553460932
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Energy: 0.3551525431538078
Energy: 0.3600103328950378
Energy: 0.3551525380070481
Energy: 0.36001033408115135
Energy: 0.35515253399441843
Energy: 0.2849242916738859
Energy: 0.24635550742081386
Energy: 0.284924291673355
Energy: 0.24635550742081386
Energy: 0.284924291673355
Energy: 0.24635550742081386
Energy: 0.42242376669227705
Energy: 0.2658450948790786
Energy: 0.42242376669280796
Energy: 0.26584509488014046
Energy: 0.42242376669333886
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Energy: 0.31324799208734205
Energy: 0.3390198639595769
Energy: 0.3132479920868111
Energy: 0.3390198639606388
Energy: 0.31324799208734205
Energy: 0.33901986396010786
Energy: 0.28472365039207603
Energy: 0.28951177036693
Energy: 0.28472365039207603
Energy: 0.28951177036746095
Energy: 0.28472365039207603
Energy: 0.289511770366399
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Energy: 0.41144714424648793
Energy: 0.26131753740358993
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Energy: 0.261317537402528
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Energy: 0.27122807468624777
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Energy: 0.28432328546484353
Energy: 0.22485273232906955
Energy: 0.28432328546484353
Energy: 0.22485273233013142
Energy: 0.2843232854653745
Energy: 0.22485273232800768
Energy: 0.31672227371080736
Energy: 0.3257608797173522
Energy: 0.3167222737150549
Energy: 0.3257608797173522
Energy: 0.3167222737081527
Energy: 0.3257608797173522
Energy: 0.26943263900448094
Energy: 0.14680498376692563
Energy: 0.26943263900448094
Energy: 0.14680498376745657
Energy: 0.26943263900448094
Energy: 0.14680498376745657
Energy: 0.27021892284211974
Energy: 0.2970181916853503
Energy: 0.27021892284158877
Energy: 0.2970181916853503
Energy: 0.27021892284211974
Energy: 0.2970181916853503
Energy: 0.32956331734504574
Energy: 0.271768469963386
Energy: 0.3295483629252774
Energy: 0.271768469963386
Energy: 0.32948211064789634
Energy: 0.271768469963386
Energy: 0.25096589546670967
Energy: 0.1492497587856364
Energy: 0.2509661852753097
Energy: 0.14924975878616734
Energy: 0.25096177869814745
Energy: 0.1492497587856364
Energy: 0.2842924347211356
Energy: 0.32131223212226206
Energy: 0.2842924347216665
Energy: 0.32131223212013826
Energy: 0.2842924347211356
Energy: 0.3213122321259786
Energy: 0.340585838895574
Energy: 0.2831326369574328
Energy: 0.340585838895574
Energy: 0.28313263695849467
Energy: 0.340585838895574
Energy: 0.28313263695796376
Energy: 0.31146870737424615
Energy: 0.20316897243348184
Energy: 0.31146870725908105
Energy: 0.2031689724345437
Energy: 0.31146870650070974
Energy: 0.2031689724345437
Energy: 0.3129340931564088
Energy: 0.35368007042996297
Energy: 0.3129340931564088
Energy: 0.3536800704315558
Energy: 0.3129340931564088
Energy: 0.35368007043049393
Energy: 0.3850036120744283
Energy: 0.2830088887251963
Energy: 0.38500361207708306
Energy: 0.2830088887251963
Energy: 0.3850036120760211
Energy: 0.2830088887246654
Energy: 0.31476079279335095
Energy: 0.419406856104789
Energy: 0.31476079278963437
Energy: 0.41940685610531997
Energy: 0.3147607927848559
Energy: 0.41940685610531997
Energy: 0.3705910568903104
Energy: 0.3515701373727428
Energy: 0.37059105664192843
Energy: 0.35157013737327375
Energy: 0.3705910555561137
Energy: 0.3515701373727428
Energy: 0.35051042860615794
Energy: 0.29862321571132955
Energy: 0.350510428605096
Energy: 0.2986232157102677
Energy: 0.350510428605627
Energy: 0.2986232157102677
Energy: 0.26932484452195693
Energy: 0.3316067208961158
Energy: 0.269324844521426
Energy: 0.3316067208961158
Energy: 0.2693248445198332
Energy: 0.33160672089505394

minimum gb energy = -1.2846425309047929 eV
minimum distance =  2.37153498051097 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.6115605793207431
Energy: 0.42676392755038545
Energy: 0.6115605793207431
Energy: 0.42676392755038545
Energy: 0.6115605793207431
Energy: 0.42676392755038545
Energy: 0.41212978280717
Energy: 0.051011192109032204
Energy: 0.41212978280868307
Energy: 0.05101119210827566
Energy: 0.4121297828079265
Energy: 0.05101119211130178
Energy: 0.5034413318753856
Energy: 0.04682967901980019
Energy: 0.5034413318761422
Energy: 0.046829679020556715
Energy: 0.5034413318738727
Energy: 0.04682967901904366
Energy: 0.05942984166058009
Energy: 0.5076173828714932
Energy: 0.05942984165982357
Energy: 0.5076173828714932
Energy: 0.059429841666632295
Energy: 0.5076173828714932
Energy: 0.4611459207639584
Energy: 0.27332748969188525
Energy: 0.46114592076547145
Energy: 0.2733274896911287
Energy: 0.4611459207639584
Energy: 0.2733274896911287
Energy: 0.4850392509705809
Energy: 0.4261602145526427
Energy: 0.4850392509713374
Energy: 0.4261602145518862
Energy: 0.4850392509728504
Energy: 0.4261602145526427
Energy: 0.2807189696773029
Energy: 0.49446669552984013
Energy: 0.2807189696757899
Energy: 0.4944666955313532
Energy: 0.2807189696780595
Energy: 0.49446669552832706
Energy: 0.5508605727052338
Energy: 0.2868970247809536
Energy: 0.5508605727052338
Energy: 0.28689702478171014
Energy: 0.5508605727044774
Energy: 0.28689702478171014
Energy: 0.49881071601830096
Energy: -2.186924815604246
Energy: 0.4988107160160314
Energy: -2.124819231120999
Energy: 0.4988107160152749
Energy: -2.173705941641985
Energy: 0.43078358461406485
Energy: 0.4627517485785584
Energy: 0.4307835846148214
Energy: 0.4627517485793149
Energy: 0.430783584615578
Energy: 0.4627517485785584
Energy: 0.44503484216910955
Energy: 0.4319075278959074
Energy: 0.4450348392986458
Energy: 0.4319075278951509
Energy: 0.4450348273190659
Energy: 0.431907527896664
Energy: 0.42904606985230637
Energy: 0.4202503819137182
Energy: 0.42904606985306293
Energy: 0.4202494432654721
Energy: 0.42904606985230637
Energy: 0.4202495427021408
Energy: 0.4309328554142048
Energy: 0.4383789567481256
Energy: 0.4309328554134482
Energy: 0.43837895674661254
Energy: 0.4309328554142048
Energy: 0.43837895674888216
Energy: 0.46858491890540016
Energy: 0.06485331079056994
Energy: 0.46858491890615667
Energy: 0.0648533108011613
Energy: 0.46858491890615667
Energy: 0.0648533107951091
Energy: 0.3698579181890476
Energy: 0.3942855742774272
Energy: 0.3698579181882911
Energy: 0.3942855742774272
Energy: 0.3698579181890476
Energy: 0.3942855742812098
Energy: 0.059464379987673656
Energy: 0.4413063582662739
Energy: 0.059464379988430176
Energy: 0.44130635826703035
Energy: 0.059464379987673656
Energy: 0.44130635826703035
Energy: 0.49418741562234664
Energy: 0.062133490163119726
Energy: 0.49418741561705104
Energy: 0.062133490163119726
Energy: 0.49418741560267704
Energy: 0.062133490161606665
Energy: 0.34444966684085987
Energy: 0.4344282513376642
Energy: 0.3444496668401033
Energy: 0.4344282513376642
Energy: 0.34444966684085987
Energy: 0.4344282513376642
Energy: 0.2800791874573382
Energy: 0.47241403129912246
Energy: 0.2800791874573382
Energy: 0.47241403129836596
Energy: 0.2800791874573382
Energy: 0.47241403129912246
Energy: 0.43766959469035227
Energy: 0.05125360425930955
Energy: 0.43766959468732614
Energy: 0.05125360426006607
Energy: 0.4376695946888392
Energy: 0.051253604257796494
Energy: -2.3517944812103666
Energy: 0.4416789835726326
Energy: -2.3220011390362654
Energy: 0.4416789835726326
Energy: -2.1649698873941055
Energy: 0.441678983573389
Energy: 0.2731766600274597
Energy: -2.2728681162678344
Energy: 0.2731766600267032
Energy: -2.244575997681355
Energy: 0.2731766600297293
Energy: -2.137976702655599
Energy: 0.5081166491906697
Energy: 0.047234498936422495
Energy: 0.5081166491899132
Energy: 0.04723449893869207
Energy: 0.5081166491906697
Energy: 0.04723449893793554

minimum gb energy = -2.3517944812103666 eV
minimum distance =  2.3649142952182 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.4507341016526766
Energy: 0.5672233297987034
Energy: 0.45073410165075695
Energy: 0.5672233297963039
Energy: 0.45073410165171685
Energy: 0.5672233297967837
Energy: 0.49359516245758345
Energy: 0.38360069910092987
Energy: 0.4935951624580634
Energy: 0.38360069910188976
Energy: 0.49359516245758345
Energy: 0.38360069910188976
Energy: 0.4323133981464723
Energy: 0.37078440306487953
Energy: 0.4323133981474321
Energy: 0.3707844030639197
Energy: 0.4323133981464723
Energy: 0.37078440306343974
Energy: 0.3892483127474565
Energy: 0.6055553482245387
Energy: 0.3892483127484163
Energy: 0.6055553482240589
Energy: 0.3892483127469766
Energy: 0.6055553482264585
Energy: 0.5820558702287555
Energy: 0.41751640384505867
Energy: 0.5820558702287555
Energy: 0.4175164038445788
Energy: 0.5820558702292353
Energy: 0.41751640384361893
Energy: -0.9363308833943761
Energy: 0.5512817172482136
Energy: -0.9366761836305332
Energy: 0.5512817171992614
Energy: -0.8771712606894596
Energy: 0.5512817171297157
Energy: 0.37102549824754877
Energy: 0.607712625992204
Energy: 0.3710254982456291
Energy: 0.607712625992204
Energy: 0.3710254982480287
Energy: 0.607712625992204
Energy: 0.6772521410508803
Energy: 0.5623683314433783
Energy: 0.6772521410513165
Energy: 0.5623683314433783
Energy: 0.6772521410508803
Energy: 0.5623683314433783
Energy: 0.5256689517668315
Energy: 0.5594511060276633
Energy: 0.5256689517663516
Energy: 0.559451106029583
Energy: 0.5256689517663516
Energy: 0.5594511060281433
Energy: 0.07126430345776003
Energy: 0.5984169326766409
Energy: 0.07126430345392062
Energy: 0.5984169326742413
Energy: 0.07126430345440055
Energy: 0.5984169326752011
Energy: 0.5876436894627182
Energy: 0.4211952714205582
Energy: 0.587643689463678
Energy: 0.42119527142295776
Energy: 0.5876436894641579
Energy: 0.421195271421518
Energy: 0.5080395146437062
Energy: 0.5394464882931533
Energy: 0.5080395146432263
Energy: 0.5394464882921934
Energy: 0.5080395146437062
Energy: 0.5394464882926734
Energy: 0.08224741129785788
Energy: 0.4526460209101433
Energy: 0.0822474112997776
Energy: 0.4526460209091835
Energy: 0.08224741129929766
Energy: 0.45264602090870354
Energy: 0.5169214729053173
Energy: 0.3828654141520078
Energy: 0.5169214729062772
Energy: 0.3828654141520078
Energy: 0.5169214729048375
Energy: 0.38286541415152786
Energy: 0.4531511058205324
Energy: 0.5310005509824105
Energy: 0.4531511058214922
Energy: 0.5310005509819304
Energy: 0.45315110582101226
Energy: 0.5310005509819304
Energy: 0.39037702378961775
Energy: 0.5231500116273072
Energy: 0.3903770237905776
Energy: 0.523150011622508
Energy: 0.39037702378961775
Energy: 0.5231500116100298
Energy: 0.5864599823327626
Energy: 0.3709048501097663
Energy: 0.5864599823322827
Energy: 0.37090485010928637
Energy: 0.5864599823322827
Energy: 0.3709048501097663
Energy: 0.45231604361964295
Energy: -1.5402891637959568
Energy: 0.4523152342618115
Energy: -1.3900145321944568
Energy: 0.45231430453651195
Energy: -1.4519896259711158
Energy: 0.49047325890118215
Energy: 0.6365955308236735
Energy: 0.490473258901662
Energy: 0.6365955308217539
Energy: 0.490473258901662
Energy: 0.6365955308217539
Energy: 0.6074028190290819
Energy: 0.3837504295424125
Energy: 0.6074028190310016
Energy: 0.38375042954145266
Energy: 0.607402819029562
Energy: 0.3837504295385731
Energy: 0.372035757310071
Energy: 0.5217059605934473
Energy: 0.3720357573091111
Energy: 0.5217059605934473
Energy: 0.37203575730959104
Energy: 0.5217059605920075
Energy: 0.4824312847896454
Energy: 0.568927023249245
Energy: 0.482431284792045
Energy: 0.568927023249245
Energy: 0.48243128479108516
Energy: 0.568927023249245
Energy: 0.6138699843228403
Energy: 0.3934448028302014
Energy: 0.6138699842225797
Energy: 0.39344480282828165
Energy: 0.6138699836493308
Energy: 0.3934448028297214
Energy: 0.07272761106888201
Energy: 0.5209238240892716
Energy: 0.07272761106984187
Energy: 0.5209238240911913
Energy: 0.07272761106696231
Energy: 0.5209238240902314
Energy: 0.3750983381884982
Energy: 0.5209614969991992
Energy: 0.37509833818561866
Energy: 0.5209614969991992
Energy: 0.37509833818609856
Energy: 0.5209614969996792
Energy: 0.6800058754343158
Energy: 0.5243684862092959
Energy: 0.6800058754343158
Energy: 0.5243684862092959
Energy: 0.6800058754347958
Energy: 0.5243684862092959
Energy: 0.3722151354107743
Energy: 0.5590266195192272
Energy: 0.3722151354107743
Energy: 0.5590266195192272
Energy: 0.37221513540933443
Energy: 0.5590266195168275
Energy: 0.37259972550338655
Energy: 0.6945965311547261
Energy: 0.3725997255038665
Energy: 0.6945965311561658
Energy: 0.3725997255038665
Energy: 0.6945965311561658
Energy: 0.6140349389499227
Energy: 0.3942195405909119
Energy: 0.6140349389494427
Energy: 0.39421954059187175
Energy: 0.6140349389494427
Energy: 0.39421954059139186
Energy: 0.39068106301154665
Energy: 0.6072189688412356
Energy: 0.39068106301154665
Energy: 0.6072189688412356
Energy: 0.39068106301298644
Energy: 0.6072189688407557
Energy: 0.4727802229633058
Energy: -1.0142158061142255
Energy: -1.1909853727286506
Energy: -1.0425780658019284
Energy: -0.9400951570276969
Energy: -1.0084581241191664
Energy: 0.5727666524641435
Energy: 0.3810551634403199
Energy: 0.5727666524636634
Energy: 0.3810551634412797
Energy: 0.5727666524636634
Energy: 0.38105516344175966
Energy: 0.4905116514114519
Energy: 0.5214065572016393
Energy: 0.4905116514104921
Energy: 0.5214065572001996
Energy: 0.4905116514114519
Energy: 0.5214065572069184
Energy: 0.2534363381251954
Energy: 0.3838039082793297
Energy: 0.25343633812663524
Energy: 0.38380390828028954
Energy: 0.25343633812567534
Energy: 0.3838039082793297
Energy: 0.5454958026287696
Energy: 0.3715971186405124
Energy: 0.5454958026282898
Energy: 0.3715971186405124
Energy: 0.5454958026292496
Energy: 0.3715971186409924
Energy: 0.08271943994884007
Energy: 0.4683181297559714
Energy: 0.08271943994500067
Energy: 0.46831812975693127
Energy: 0.08271943994644045
Energy: 0.46831812975693127
Energy: 0.5116605637256657
Energy: 0.49140201207758233
Energy: 0.5116605637285453
Energy: 0.4914020120771023
Energy: 0.5116605637261455
Energy: 0.4914020120771023

minimum gb energy = -1.5402891637959568 eV
minimum distance =  2.37996229408558 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.7011303785215419
Energy: 0.7287656881498225
Energy: 0.7011303785215419
Energy: 0.7287656881498225
Energy: 0.7011303785215419
Energy: 0.7287656881498225
Energy: 0.7555637966604959
Energy: 0.7267923970707183
Energy: 0.7555637966604959
Energy: 0.7267923970707183
Energy: 0.7555637966604959
Energy: 0.7267923970707183
Energy: 0.8217362003675448
Energy: 0.7250294346354351
Energy: 0.8217362003701656
Energy: 0.7250294346367454
Energy: 0.8217362003675448
Energy: 0.7250294346354351
Energy: 0.6975031518552642
Energy: 0.8130392140113518
Energy: 0.6975031518513928
Energy: 0.8130392140113518
Energy: 0.6975031518513928
Energy: 0.8130392140100415
Energy: 0.7933891705201329
Energy: 0.7324753354709533
Energy: 0.7933891705201329
Energy: 0.7324753354709533
Energy: 0.7933891705201329
Energy: 0.7324753354709533
Energy: 0.8111315951155044
Energy: 0.8074373658606909
Energy: 0.8111315951168147
Energy: 0.8074373658593806
Energy: 0.811131595114194
Energy: 0.8074373658593806
Energy: 0.6941376750430659
Energy: 0.7746598516552532
Energy: 0.6941376750430659
Energy: 0.7746598516552532
Energy: 0.6941376750430659
Energy: 0.7746598516552532
Energy: 0.7422750711109942
Energy: 0.727330624233297
Energy: 0.7422750711109942
Energy: 0.727330624233297
Energy: 0.7422750711109942
Energy: 0.727330624233297
Energy: 0.7604922109551268
Energy: 0.7483027560922226
Energy: 0.7604922109551268
Energy: 0.7483027560922226
Energy: 0.7604922109551268
Energy: 0.7483027560922226
Energy: 0.6965362395783523
Energy: 0.7979743407753777
Energy: 0.6965362395796626
Energy: 0.7979743407753777
Energy: 0.6965362395796626
Energy: 0.7979743407753777
Energy: 0.823850321458171
Energy: 0.7252473459084873
Energy: 0.823850321458171
Energy: 0.725247345907177
Energy: 0.8794349030091527
Energy: 0.7252473459124185
Energy: 0.7540284060169031
Energy: 0.725790346415956
Energy: 0.7540284060169031
Energy: 0.725790346415956
Energy: 0.7540284060169031
Energy: 0.725790346415956
Energy: 0.7310486612635599
Energy: 0.8100723824555665
Energy: 0.7310486612635599
Energy: 0.8100723824555665
Energy: 0.7310486612635599
Energy: 0.8100723824555665
Energy: 0.7925240953896621
Energy: 0.7267676543013623
Energy: 0.7925240953883517
Energy: 0.726767654300052
Energy: 0.7925240953883517
Energy: 0.726767654300052

minimum gb energy = 0.6941376750430659 eV
minimum distance =  2.37072987459342 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.8529750336734768
Energy: 0.9158054795836599
Energy: 0.8529750336723255
Energy: 0.9158054795836599
Energy: 0.8529750336740524
Energy: 0.9158054795836599
Energy: 0.9102430002625231
Energy: 0.8675462471104738
Energy: 0.9102430002625231
Energy: 0.8675462471104738
Energy: 0.9102430002625231
Energy: 0.867546247111625
Energy: 1.0152683657265442
Energy: 0.8844597082332689
Energy: 1.0152683657265442
Energy: 0.8844597082332689
Energy: 1.0152683657265442
Energy: 0.8844597082332689
Energy: 0.8475896975731402
Energy: 0.9551193690912361
Energy: 0.8475896975731402
Energy: 0.9551193690900848
Energy: 0.8475896975731402
Energy: 0.9551193690906603
Energy: 0.981279808239575
Energy: 0.9084651688253877
Energy: 0.9812798080473933
Energy: 0.9084651688265392
Energy: 0.9812798073834046
Energy: 0.9084651688259635
Energy: 0.8780311752197751
Energy: 0.9276520714756185
Energy: 0.8780311752191996
Energy: 0.9276520714756185
Energy: 0.8780311752186238
Energy: 0.9276520714761941
Energy: 0.8732570358402436
Energy: 1.0036288151814572
Energy: 0.8732570358408194
Energy: 1.0036288151809076
Energy: 0.873257035839668
Energy: 1.0036288151814572
Energy: 0.9677577876765359
Energy: 0.863613281926194
Energy: 0.9677577876771116
Energy: 0.8636132819273453
Energy: 0.9677577876776872
Energy: 0.8636132819267696
Energy: 0.9570950890183367
Energy: 0.8645726312624599
Energy: 0.9570950890177612
Energy: 0.8645726312630356
Energy: 0.9570950890183367
Energy: 0.8645726312630356
Energy: 0.8968635791761896
Energy: 0.966379368287981
Energy: 0.8968635791767652
Energy: 0.9663793682868297
Energy: 0.8968635791761896
Energy: 0.9663793682868297
Energy: 0.9266447610552881
Energy: 0.8995966815022456
Energy: 0.9266447610547125
Energy: 0.8995966815028211
Energy: 0.9266447610547125
Energy: 0.8995966815022456
Energy: 0.9560974514743105
Energy: 0.9297165763986058
Energy: 0.9560974514743105
Energy: 0.9297165763980303
Energy: 0.956097451474886
Energy: 0.9297165763980303
Energy: 0.8660892179062906
Energy: 0.9520484310786178
Energy: 0.8660892179068663
Energy: 0.9520484310786178
Energy: 0.866089217905715
Energy: 0.9520484310791936
Energy: 1.026750165098522
Energy: 0.8589253680814456
Energy: 1.026750165098522
Energy: 0.8589253680814456
Energy: 1.0267501650990976
Energy: 0.8589253680814456
Energy: 0.9374662499542791
Energy: 0.8843438707157595
Energy: 0.9374662499537035
Energy: 0.8843438707146083
Energy: 0.9374662499542791
Energy: 0.8843438707157595
Energy: 0.882013428183486
Energy: 0.9463834910561985
Energy: 0.8820134281800325
Energy: 0.9463834910561985
Energy: 0.8820134281783055
Energy: 0.946383491056774
Energy: 0.9461396702315817
Energy: 0.8917302337009054
Energy: 0.9461396702321573
Energy: 0.8917302337014811
Energy: 0.9461396702315817
Energy: 0.8917302337009054
Energy: 0.9411671869049543
Energy: 0.9417058179149108
Energy: 0.9411671869055301
Energy: 0.9417058179160621
Energy: 0.9411671869055301
Energy: 0.9417058179154866
Energy: 0.8969769658968765
Energy: 0.9385259910378841
Energy: 0.896976965897452
Energy: 0.9385259910378841
Energy: 0.896976965897452
Energy: 0.9385259910378841
Energy: 0.932114793910588
Energy: 0.8793322549446604
Energy: 0.9321147939134664
Energy: 0.8793322549446604
Energy: 0.932114793909437
Energy: 0.8793322549446604
Energy: 0.8789898800949588
Energy: 0.9231809314411731
Energy: 0.878989880093258
Energy: 0.9231809314394461
Energy: 0.8789898800938336
Energy: 0.9231809314405974
Energy: 0.8255025788319555
Energy: 0.9995416587775123
Energy: 0.8255025788319555
Energy: 0.9995416587780879
Energy: 0.8255025788325311
Energy: 0.9995416587780879
Energy: 1.0066270521326561
Energy: 0.8851919472116492
Energy: 1.0066270521326561
Energy: 0.8851919472116492
Energy: 1.0066270521326561
Energy: 0.8851919472116492
Energy: 0.958137943836174
Energy: 0.8679676692825551
Energy: 0.958137943836174
Energy: 0.8679676692831308
Energy: 0.958137943836174
Energy: 0.8679676692831308
Energy: 0.8963357483066585
Energy: 0.9535618352410236
Energy: 0.8963357483072341
Energy: 0.9535618352415992
Energy: 0.8963357483066585
Energy: 0.9535618352415992
Energy: 0.9830964799706984
Energy: 0.8850033228482483
Energy: 0.9830964799701228
Energy: 0.8850033228476726
Energy: 0.9830964799706984
Energy: 0.8850033228476726
Energy: 0.8905135806268751
Energy: 1.0150306019922815
Energy: 0.8905135806262996
Energy: 1.0150306019922815
Energy: 0.8905135806262996
Energy: 1.0150306019922815
Energy: 0.866590431959073
Energy: 0.921087922358452
Energy: 0.8665904319648293
Energy: 0.921087922358452
Energy: 0.8665904319654051
Energy: 0.921087922358452
Energy: 0.9571362168213136
Energy: 0.8570916793532015
Energy: 0.9571362168213136
Energy: 0.8570916793457183
Energy: 0.957136216820738
Energy: 0.8570916793497477
Energy: 0.9086677111444178
Energy: 0.8892774699324735
Energy: 0.9086677111444178
Energy: 0.8892774699324735
Energy: 0.9086677111444178
Energy: 0.8892774699330492
Energy: 0.8957201111673283
Energy: 0.9929475977256026
Energy: 0.8957201111679041
Energy: 0.9929475977261784
Energy: 0.8957201111673283
Energy: 0.9929475977261784

minimum gb energy = 0.8255025788319555 eV
minimum distance =  2.31957057235187 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.9676966285405123
Energy: 1.0178985478657687
Energy: 0.9676966285405123
Energy: 1.0178985478657687
Energy: 0.9676966285405123
Energy: 1.0178985478657687
Energy: 0.9625305924293256
Energy: 1.026314491636
Energy: 0.9625305924354717
Energy: 1.026314491636
Energy: 0.9625305924344473
Energy: 1.026314491636
Energy: 1.1365466263264006
Energy: 1.0235404656858587
Energy: 1.1365466263274249
Energy: 1.0235404656858587
Energy: 1.1365466263264006
Energy: 1.0235404656858587
Energy: 0.9591070035620567
Energy: 1.102524628597353
Energy: 0.9591070035671785
Energy: 1.1025246285983772
Energy: 0.959107003563081
Energy: 1.102524628597353
Energy: 1.1365161830823742
Energy: 1.0234086317510365
Energy: 1.13651618308135
Energy: 1.0234086317510365
Energy: 1.1365161830823742
Energy: 1.0234086317510365
Energy: 0.9624665549060663
Energy: 1.0263092127190474
Energy: 0.962466554905042
Energy: 1.0263092127180227
Energy: 0.9624665549060663
Energy: 1.0952923339341254
Energy: 0.9676966285405123
Energy: 1.017898547866793
Energy: 0.9676966285415364
Energy: 1.0178985478657687
Energy: 0.9676966285415364
Energy: 1.0178985478657687
Energy: 0.96253059243035
Energy: 1.026314491636
Energy: 0.9625305924323986
Energy: 1.0263144916370246
Energy: 0.9625305924354717
Energy: 1.026314491636
Energy: 1.1365466263264006
Energy: 1.0235404656868832
Energy: 1.1365466263274249
Energy: 1.0235404656868832
Energy: 1.1365466263264006
Energy: 1.0235404656868832
Energy: 0.9591070035641053
Energy: 1.1458811908835391
Energy: 0.9591070035651297
Energy: 1.1458811908835391
Energy: 0.959107003563081
Energy: 1.1458811908835391
Energy: 1.13651618308135
Energy: 1.0234086317510365
Energy: 1.13651618308135
Energy: 1.0234086317510365
Energy: 1.13651618308135
Energy: 1.0234086317520608
Energy: 0.962466554905042
Energy: 1.0263092127180227
Energy: 0.962466554905042
Energy: 1.0263092127180227
Energy: 0.962466554905042
Energy: 1.0263092127180227
Energy: 0.9676966285405123
Energy: 1.0178985478647442
Energy: 0.9676966285405123
Energy: 1.0178985478647442
Energy: 0.9676966285405123
Energy: 1.0178985478647442
Energy: 0.9625305924344473
Energy: 1.026314491636
Energy: 0.9625305924354717
Energy: 1.026314491636
Energy: 0.9625305924313744
Energy: 1.026314491636
Energy: 1.1365466263274249
Energy: 1.0235404656858587
Energy: 1.1365466263274249
Energy: 1.0235404656858587
Energy: 1.1365466263274249
Energy: 1.0235404656858587
Energy: 0.959107003563081
Energy: 1.1025246285983772
Energy: 0.9591070035620567
Energy: 1.102524628597353
Energy: 0.9591070035641053
Energy: 1.1025246285983772
Energy: 1.1365161830823742
Energy: 1.0234086317510365
Energy: 1.13651618308135
Energy: 1.0234086317510365
Energy: 1.1365161830823742
Energy: 1.0234086317510365

minimum gb energy = 0.9591070035620567 eV
minimum distance =  2.3447393335406 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.1068228091227452
Energy: 0.9962174584477709
Energy: 1.1068228091227452
Energy: 0.9962174584477709
Energy: 1.1068228091227452
Energy: 0.9962174584469347
Energy: 1.0030519376439426
Energy: 1.0362637665894512
Energy: 1.0030519376447788
Energy: 1.03626376658698
Energy: 1.0030519376439426
Energy: 1.0362637665861436
Energy: 1.0831443305744586
Energy: 0.9822935650970142
Energy: 1.0831443305752948
Energy: 0.9822935650986868
Energy: 1.0831443305752948
Energy: 0.9822935650978504
Energy: 0.9958261881029621
Energy: 1.0805152907710107
Energy: 0.9958261881021259
Energy: 1.0805152907701743
Energy: 0.9958261881029621
Energy: 1.0805152907701743
Energy: 1.0488099734848533
Energy: 0.9849484280773005
Energy: 1.0488099734848533
Energy: 0.9849484280756277
Energy: 1.0488099734840168
Energy: 0.9849484280764641
Energy: 1.0674427581512698
Energy: 0.9996534627469289
Energy: 1.0674427581512698
Energy: 0.9996534627477651
Energy: 1.0674427581504335
Energy: 0.9996534627469289
Energy: 0.9926159355299565
Energy: 1.1163807847049465
Energy: 0.9926159355307929
Energy: 1.1163807847049465
Energy: 0.9926159355299565
Energy: 1.1163807847049465
Energy: 0.9897598440056864
Energy: 1.0724309284559264
Energy: 0.9897598440065228
Energy: 1.0724309284559264
Energy: 0.9897598440056864
Energy: 1.0724309284567628
Energy: 1.0992744913082078
Energy: 0.9888090245017558
Energy: 1.0992744913082078
Energy: 0.9888090245034286
Energy: 1.0992744913090442
Energy: 0.9888090245025923
Energy: 0.9953594658593617
Energy: 1.0706146189212749
Energy: 0.9953594658593617
Energy: 1.0706146189221113
Energy: 0.9953594658601981
Energy: 1.0706146189212749
Energy: 1.0368351823504327
Energy: 1.0314429122378208
Energy: 1.0368351823521056
Energy: 1.0314429122369844
Energy: 1.0368351823537783
Energy: 1.0314429122378208
Energy: 1.0520384879136913
Energy: 0.9998708183709408
Energy: 1.052038487912855
Energy: 0.9998708183709408
Energy: 1.052038487912855
Energy: 0.9998708183709408
Energy: 0.9906799942305495
Energy: 1.065516515775795
Energy: 0.9906799942322222
Energy: 1.065516515775795
Energy: 0.9906799942313859
Energy: 1.065516515775795
Energy: 1.072827395147783
Energy: 1.0827503740333393
Energy: 1.0728273951469465
Energy: 1.0827503740333393
Energy: 1.0728273951469465
Energy: 1.0827503740333393
Energy: 1.1144713715274375
Energy: 0.9977240004480139
Energy: 1.1144713715274375
Energy: 0.9977240004480139
Energy: 1.114471371526601
Energy: 0.9977240004480139
Energy: 1.0650939956608534
Energy: 1.1031155900086114
Energy: 1.0650939956600167
Energy: 1.1031155900102838
Energy: 1.0650939956608534
Energy: 1.1031155900094476
Energy: 1.0864174940208087
Energy: 1.07099290123625
Energy: 1.086417494019136
Energy: 1.0709929012354136
Energy: 1.0864174940199722
Energy: 1.0709929012354136
Energy: 1.254042109480208
Energy: 0.9998871178030542
Energy: 1.254042109481044
Energy: 0.9998871178038905
Energy: 1.254042109480208
Energy: 0.9998871178030542
Energy: 0.9944419474894721
Energy: 1.0731483371949164
Energy: 0.9944419474894721
Energy: 1.0731483371949164
Energy: 0.9944419474894721
Energy: 1.0731483371949164
Energy: 1.0325848364692984
Energy: 1.0031603972846463
Energy: 1.0325848364692984
Energy: 1.0031603972863192
Energy: 1.0325848364692984
Energy: 1.0031603972846463
Energy: 1.0466352291317007
Energy: 1.0024567577200052
Energy: 1.046635229130864
Energy: 1.002456757719169
Energy: 1.0466352291317007
Energy: 1.0024567577200052

minimum gb energy = 0.9822935650970142 eV
minimum distance =  2.33112014240103 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.1202179418367786
Energy: 1.089864590814055
Energy: 1.0918852812444861
Energy: 1.089864590816843
Energy: 1.1202179418367786
Energy: 1.0898645908133497
Energy: 1.169584604199191
Energy: 1.0459191546353332
Energy: 1.169584604199191
Energy: 1.0459191546353332
Energy: 1.169584604199191
Energy: 1.045919154632513
Energy: 1.0592767379620036
Energy: 1.073427163701362
Energy: 1.0592767379627086
Energy: 1.073427163700657
Energy: 1.0592767379627086
Energy: 1.073427163700657
Energy: 1.0504534966067816
Energy: 1.0745157052795453
Energy: 1.0504534966060766
Energy: 1.0745157052795453
Energy: 1.0504534966067816
Energy: 1.0745157052795453
Energy: 1.0382121108590592
Energy: 1.1303438027016135
Energy: 1.038212110858354
Energy: 1.1303438027016135
Energy: 1.038212110858354
Energy: 1.1303438027016135
Energy: 1.1454374778327385
Energy: 1.1318527692991462
Energy: 1.1454374778327385
Energy: 1.1318527692998512
Energy: 1.1454374778327385
Energy: 1.1318527692984413
Energy: 1.0560597812367667
Energy: 1.1681962185480925
Energy: 1.0560597812374715
Energy: 1.1681962185473878
Energy: 1.0560597812374715
Energy: 1.1681962185480925
Energy: 1.1033527235475644
Energy: 1.0526413801347576
Energy: 1.1033527235468592
Energy: 1.0526413801340526
Energy: 1.1033527235475644
Energy: 1.0526413801368726
Energy: 1.1813060383480876
Energy: 1.047123485153531
Energy: 1.1812024358093867
Energy: 1.0471234851528262
Energy: 1.1813060383494973
Energy: 1.047123485154236
Energy: 1.130131474637599
Energy: 1.0494758058471119
Energy: 1.130245089359416
Energy: 1.0494758058485216
Energy: 1.130131474637599
Energy: 1.0494758058471119
Energy: 1.1312440886991817
Energy: 1.0508478896580313
Energy: 1.1310034308906587
Energy: 1.0508478896573263
Energy: 1.131244088699887
Energy: 1.0508478896608513
Energy: 1.1354785250194859
Energy: 1.0460258868452086
Energy: 1.1354785250201909
Energy: 1.0460258868452086
Energy: 1.135478525018781
Energy: 1.0460258868445036
Energy: 1.0553981080956978
Energy: 1.0839488944364497
Energy: 1.055398108092878
Energy: 1.0839488944364497
Energy: 1.055398108093583
Energy: 1.0839488944350397
Energy: 1.0589998808553736
Energy: 0.9967791545188116
Energy: 1.0589998808553736
Energy: 0.9967791545174015
Energy: 1.0589998808553736
Energy: 0.9967791545195167
Energy: 1.134764932375523
Energy: -0.37949830922106437
Energy: 1.1403034561119378
Energy: -0.3803701788540952
Energy: 1.1347649323748181
Energy: -0.3804774864093261
Energy: 1.0349889570667223
Energy: 0.9967581712672494
Energy: 1.0349889570674273
Energy: 0.9967581712658394
Energy: 1.0349889570667223
Energy: 0.9967581712679543
Energy: 1.0750718312566114
Energy: 1.0636174041461093
Energy: 1.0750718312580214
Energy: 1.0636174041461093
Energy: 1.0750718312573164
Energy: 1.0636174041461093
Energy: 1.0966823214749457
Energy: 0.9964471631764852
Energy: 1.096682321473536
Energy: 0.9964471631764852
Energy: 1.0966823214742407
Energy: 0.9964471631778951
Energy: 1.0883987064612348
Energy: 1.0462074517336837
Energy: 1.0386431998711378
Energy: 1.0462074517343884
Energy: 1.0883987064619398
Energy: 1.0462074517336837
Energy: 1.1202179418374834
Energy: 1.0898645908154647
Energy: 1.091885281238141
Energy: 1.089864590821778
Energy: 1.1202179418360734
Energy: 1.0898645908062998
Energy: 1.169584604199191
Energy: 1.0459191546353332
Energy: 1.169584604198486
Energy: 1.0459191546346283
Energy: 1.169584604198486
Energy: 1.045919154632513
Energy: 1.0592767379634136
Energy: 1.073427163702067
Energy: 1.0592767379627086
Energy: 1.0734271637027721
Energy: 1.0592767379627086
Energy: 1.073427163702067
Energy: 1.0504534966060766
Energy: 1.0745157052795453
Energy: 1.0504534966046666
Energy: 1.0745157052788403
Energy: 1.0504534966067816
Energy: 1.0745157052795453
Energy: 1.0382121108590592
Energy: 1.1303438027009085
Energy: 1.038212110858354
Energy: 1.1303438027009085
Energy: 1.038212110858354
Energy: 1.1303438027002035
Energy: 1.1454374778327385
Energy: 1.1318527692991462
Energy: 1.1454374778327385
Energy: 1.1318527692991462
Energy: 1.1454374778320338
Energy: 1.1318527692984413

minimum gb energy = -0.3804774864093261 eV
minimum distance =  2.26255378575575 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.0131785680597933
Energy: 1.0239074884302393
Energy: 1.013178568060402
Energy: 1.0239074884302393
Energy: 1.013178568060402
Energy: 1.0239074884320651
Energy: 1.0103065152685666
Energy: 1.0223832808524833
Energy: 1.0103065152679582
Energy: 1.0223832808530917
Energy: 1.0103065152685666
Energy: 1.0223832808530917
Energy: 1.0322479357696426
Energy: 1.0150695519222106
Energy: 1.0322479357696426
Energy: 1.0150695519228194
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426
Energy: 1.0322479357696426

minimum gb energy = 1.0103065152679582 eV
minimum distance =  2.30592255263665 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================