Model name: model_name=MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657310605049
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.0132160115977994
Energy: 0.013712735216914846
Energy: 2.5539053657904547
Energy: 0.013712735216914846
Energy: 0.013712735216914846
Energy: 0.013901399529870571
Energy: 0.5578133198111165
Energy: 0.013901399529870571
Energy: 2.5539053657904547
Energy: 0.5578133198111165
Energy: 0.013320893941868276
Energy: 0.5578133198111165
Energy: 0.013712735216914846
Energy: 0.013901399529870571
Energy: 0.5578133198111165
Energy: 0.013901399529870571

minimum gb energy = 0.0132160115977994 eV
minimum distance =  2.4751948447359 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.4503145358049276
Energy: 1.2382558336365141
Energy: 1.2048276119878276
Energy: 1.238255833635302
Energy: 1.4417141654498913
Energy: 0.8944268745015658
Energy: 0.9399959597579881
Energy: 0.894426874502778
Energy: 1.5599179692879055
Energy: 0.9386154427967061
Energy: 0.9167112326333271
Energy: 0.9386154427979182
Energy: 1.2542126840884504
Energy: 0.896226706645122
Energy: 0.9392088703218893
Energy: 0.8962267066439648
Energy: 1.250672328216825
Energy: 0.8963201926595863
Energy: 1.3043992729147533
Energy: 0.8963201926595863
Energy: 1.4562568411634722
Energy: 0.9012417696062449
Energy: 0.9011618580643391
Energy: 0.9012417696050328
Energy: 1.083783969344313
Energy: 0.9014911275681011
Energy: 0.9013041779538001
Energy: 0.901491127566889
Energy: 0.8973530088104514
Energy: 0.8982767674827628
Energy: 1.2958863554720585
Energy: 0.8982767674827628
Energy: 1.0936607081711038
Energy: 0.8986967033937044
Energy: 1.2563776309026384
Energy: 0.8986967033949167
Energy: 1.508336821606754
Energy: 0.9013501884495768
Energy: 1.0909000444490382
Energy: 0.901350188450789
Energy: 0.9151048461802901
Energy: 0.9612991147822347
Energy: 1.2582720403636052
Energy: 0.9612991147810224
Energy: 0.9154689389695817
Energy: 0.9149796253961104
Energy: 1.9002428218159289
Energy: 0.9149796253948983
Energy: 1.1042758776543549
Energy: 0.9610656714734441
Energy: 1.2546226865247754
Energy: 0.9610656714734441
Energy: 0.9356049026152674
Energy: 0.96240342310849
Energy: 1.253754909712856
Energy: 0.96240342310849
Energy: 0.9257555469093078
Energy: 0.8990726325464211
Energy: 1.4440486421604695
Energy: 0.8990726325452089
Energy: 0.9356695619212672
Energy: 0.8991595439517569
Energy: 1.4443029796145177
Energy: 0.8991595439529692
Energy: 0.9368122465647741
Energy: 0.9626978025373607
Energy: 1.253663535397784
Energy: 0.9626978025373607
Energy: 1.1043291664906163
Energy: 0.9610965608173243
Energy: 1.2536167878788698
Energy: 0.961096560816112
Energy: 0.9075373441554575
Energy: 0.9149270604157608
Energy: 1.9295766760276538
Energy: 0.9149270604157608
Energy: 0.915120050973431
Energy: 0.9611760466262188
Energy: 1.0878252326071334
Energy: 0.9611760466274312
Energy: 1.5070459427573795
Energy: 0.9016952506694043
Energy: 1.0905904059019782
Energy: 0.9016952506706165
Energy: 1.0928644140072643
Energy: 0.8964701075557244
Energy: 1.2562654886080247
Energy: 0.8964701075545123
Energy: 1.095812275569496
Energy: 0.8983971339724666
Energy: 1.098163527399495
Energy: 0.8983971339736786
Energy: 1.271256523900553
Energy: 0.9014063754805274
Energy: 0.9012989616272016
Energy: 0.9014063754829518
Energy: 1.4560081197376327
Energy: 0.9012768553892374
Energy: 0.9011196411606173
Energy: 0.9012768553904497
Energy: 1.250608358164013
Energy: 0.8966984344020752
Energy: 1.3044293352440155
Energy: 0.8966984344032873
Energy: 1.2515321603319907
Energy: 0.8963915621817848
Energy: 0.925952197113122
Energy: 0.8963915621817848
Energy: 1.6640925309249743
Energy: 0.938611548866631
Energy: 0.9172171943521844
Energy: 0.938611548866631
Energy: 1.4420121445402463
Energy: 0.894374288811497
Energy: 0.9399020651531584
Energy: 0.8943742888127092
Energy: 1.265003833723803
Energy: 0.9003313619893561
Energy: 0.9385758488918867
Energy: 0.9003313619905683
Energy: 1.443192354484489
Energy: 0.8942025287754792
Energy: 0.927217860131867
Energy: 0.8942025287754792
Energy: 1.4553783797204465
Energy: 0.9128958355355353
Energy: 0.9172011432013552
Energy: 0.9128958355355353
Energy: 1.2506309760747352
Energy: 0.8964722715396418
Energy: 0.979951130730461
Energy: 0.8964722715384296

minimum gb energy = 0.8942025287754792 eV
minimum distance =  2.34167724679123 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.5831289361165386
Energy: 1.5054412062603972
Energy: 0.9862911442421317
Energy: 1.5054412062617795
Energy: 1.3242934482515327
Energy: 0.925140702766495
Energy: 1.0317259638092864
Energy: 0.9251407027651126
Energy: 1.3512769415912296
Energy: 0.968285929851481
Energy: 0.9683286224189638
Energy: 0.968285929852863
Energy: 0.9229852940611277
Energy: 0.9476471869975236
Energy: 1.0273202882440842
Energy: 0.9476471869975236
Energy: 0.922989263540282
Energy: 0.9494558263471642
Energy: 1.4353357802888276
Energy: 0.9494558263485463
Energy: 1.3512250977069429
Energy: 0.9472568601713239
Energy: 0.9473660878318394
Energy: 0.9472568601713239
Energy: 0.9705330751729382
Energy: 0.9958275718630049
Energy: 0.9473670948756879
Energy: 0.9958275718630049
Energy: 0.947460432002174
Energy: 0.947065903786774
Energy: 1.4351620931444349
Energy: 0.947065903786774
Energy: 0.9687113485676306
Energy: 0.9231792327084349
Energy: 1.353807624995745
Energy: 0.923179232709817
Energy: 1.027540898937162
Energy: 0.9225350020135977
Energy: 0.9230647868600262
Energy: 0.9225350020135977
Energy: 0.9485073074805295
Energy: 1.113306278533153
Energy: 1.354726847729866
Energy: 1.1133062785317709
Energy: 0.9479600382361224
Energy: 0.947543305075648
Energy: 1.8172816848021531
Energy: 0.9475433050742659
Energy: 1.0273571508631418
Energy: 0.9235021677102329
Energy: 1.3225468005160343
Energy: 0.9235021677102329
Energy: 1.0273571508631418
Energy: 0.9235510091492619
Energy: 1.3225160765011301
Energy: 0.9235510091492619
Energy: 0.9481113733653619
Energy: 0.9475781777820576
Energy: 1.816091048429982
Energy: 0.9475781777820576
Energy: 0.9486451281427108
Energy: 1.1132931222379
Energy: 1.3544246007150762
Energy: 1.1132931222365177
Energy: 1.027540898937162
Energy: 0.922515591465167
Energy: 0.9230715465291408
Energy: 0.922515591465167
Energy: 0.9688180178100511
Energy: 0.9231564814284425
Energy: 1.353762668770678
Energy: 0.9231564814284425
Energy: 0.9474658383421547
Energy: 0.9470540583571811
Energy: 1.4351620931471993
Energy: 0.9470540583571811
Energy: 0.9706110378659374
Energy: 0.9959235517888452
Energy: 0.9473594541757956
Energy: 0.9959235517888452
Energy: 1.351228513798576
Energy: 0.9472462622264732
Energy: 0.9473620717225468
Energy: 0.9472462622264732
Energy: 0.9229936460759279
Energy: 0.9485308174433397
Energy: 1.4353357802874454
Energy: 0.9485308174433397
Energy: 0.9230358132646056
Energy: 0.947475615760914
Energy: 1.02732028824132
Energy: 0.947475615760914
Energy: 1.3513753958066461
Energy: 0.9682600399493329
Energy: 0.9683041125188111
Energy: 0.9682600399493329
Energy: 1.3243008868585104
Energy: 0.92508168139732
Energy: 1.0317259638079042
Energy: 0.925081681395938
Energy: 1.5831289361165386
Energy: 1.5054412062617795
Energy: 0.9862911267480827
Energy: 1.5054412062617795
Energy: 1.3242934482515327
Energy: 0.9251407027651126
Energy: 1.0317259638092864
Energy: 0.925140702766495
Energy: 1.3512769415912296
Energy: 0.968285929851481
Energy: 0.9683286224189638
Energy: 0.968285929851481
Energy: 0.9229852940625098
Energy: 0.9476471869961415
Energy: 1.0273202882440842
Energy: 0.9476471869961415

minimum gb energy = 0.922515591465167 eV
minimum distance =  2.33305662639617 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.3588949066118508
Energy: 1.1140038960346836
Energy: 1.0453533296098008
Energy: 1.1140038960346836
Energy: 1.4453981151156563
Energy: 0.9979675766617749
Energy: 1.0735192134050795
Energy: 0.9979675766601684
Energy: 1.4620172507373757
Energy: 1.0266671955793856
Energy: 1.034492633366197
Energy: 1.0266671955793856
Energy: 1.2568228257811231
Energy: 0.9911862665406492
Energy: 1.0734202805383493
Energy: 0.9911862665406492
Energy: 1.2558156659521613
Energy: 0.9909267074869395
Energy: 1.2652999858894736
Energy: 0.9909267074869395
Energy: 1.46028552102557
Energy: 0.997303823372535
Energy: 0.9974156227717217
Energy: 0.997303823372535
Energy: 1.0250662489776556
Energy: 0.9907782172092466
Energy: 0.9974413732212046
Energy: 0.9907782172092466
Energy: 1.0003340513548502
Energy: 1.0241151002233206
Energy: 1.538609667705853
Energy: 1.0241151002233206
Energy: 1.0751704402928406
Energy: 1.0792100348135323
Energy: 1.247612628744685
Energy: 1.0792100348135323
Energy: 1.0693631890935844
Energy: 0.9851862495273922
Energy: 1.2472344925636025
Energy: 0.9851862495273922
Energy: 1.0880996720364788
Energy: 0.9907452858647552
Energy: 1.449368506169381
Energy: 0.9907452858647552
Energy: 1.055736852456618
Energy: 1.0246376266222874
Energy: 1.4485131259616346
Energy: 1.0246376266222874
Energy: 1.0888279753631174
Energy: 0.9852065448400418
Energy: 1.2475172247411916
Energy: 0.9852065448400418
Energy: 1.0758721911367934
Energy: 1.0794536205470666
Energy: 1.247554980585692
Energy: 1.0794536205470666
Energy: 1.0244757196426053
Energy: 1.0240266847063912
Energy: 1.7667964422226343
Energy: 1.0240266847063912
Energy: 1.0245417860670287
Energy: 0.9907306567154511
Energy: 0.9974234565800476
Energy: 0.9907306567154511
Energy: 1.7819821948946601
Energy: 0.9972437756339062
Energy: 0.9974346902068386
Energy: 0.9972437756339062
Energy: 1.2557434856093461
Energy: 0.9907048580626631
Energy: 1.265608019663037
Energy: 0.9907048580626631
Energy: 1.127171400339857
Energy: 0.9909779198808312
Energy: 1.0734806090814581
Energy: 0.9909779198792245
Energy: 1.2362082794907552
Energy: 0.9975859995926484
Energy: 1.0272891992556294
Energy: 0.997585999594255
Energy: 1.4473916309134216
Energy: 0.9981986778532883
Energy: 1.034884223157712
Energy: 0.9981986778532883
Energy: 1.2588873788250148
Energy: 0.9851545679513943
Energy: 1.073417455276147
Energy: 0.9851545679513943
Energy: 1.4474180746246914
Energy: 1.0723027460196062
Energy: 1.0732275998217822
Energy: 1.0723027460196062
Energy: 1.6120004904451881
Energy: 1.034076194753993
Energy: 1.0344689202738582
Energy: 1.034076194755563
Energy: 1.2561366222488053
Energy: 0.9908258783173096
Energy: 1.0181269941843354
Energy: 0.9908258783173096

minimum gb energy = 0.9851545679513943 eV
minimum distance =  2.34538665772967 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.0055999666837427
Energy: 1.003595629211322
Energy: 1.1358939915731143
Energy: 1.0035956292111476
Energy: 1.005560765026093
Energy: 1.047004848735641
Energy: 1.0474139227442871
Energy: 1.047004848735445
Energy: 1.096795664367307
Energy: 1.0968592472705905
Energy: 1.0970422480136783
Energy: 1.0968592472707646
Energy: 1.0464953699019153
Energy: 1.0468960103472966
Energy: 1.047827811973438
Energy: 1.0468960103472966
Energy: 1.0475805476143043
Energy: 1.0472809842309838
Energy: 1.0967748948738623
Energy: 1.0472809842308093
Energy: 1.7951526296582867
Energy: 1.0472773055545317
Energy: 1.0465756397160688
Energy: 1.0472773055543356
Energy: 1.0484266412380694
Energy: 1.0470547822628082
Energy: 1.0475632111710718
Energy: 1.047054782262438
Energy: 1.047507124420413
Energy: 1.04805223565989
Energy: 1.5913440893620077
Energy: 1.0480522356596937
Energy: 1.2371622510823548
Energy: 1.0474421088924453
Energy: 1.0053111493701576
Energy: 1.0474421088924453
Energy: 1.2377668923659517
Energy: 1.004607818867853
Energy: 1.005388426852688
Energy: 1.004607818868049
Energy: 1.047636881937311
Energy: 1.144968936160262
Energy: 1.5918283803294953
Energy: 1.144968936160262
Energy: 1.1343299272841856
Energy: 1.004503626687785
Energy: 1.0967857987205532
Energy: 1.004503626687981
Energy: 1.2370880179558026
Energy: 1.046594564824642
Energy: 1.046700561292981
Energy: 1.046594564824446
Energy: 1.0968159171875274
Energy: 1.0995566090018112
Energy: 1.0967552073641111
Energy: 1.0995566090016151
Energy: 1.0467066426001992
Energy: 1.046620503170533
Energy: 1.2370880179561947
Energy: 1.0466205031716873
Energy: 1.0967925417270568
Energy: 1.004718357811572
Energy: 1.134306041537634
Energy: 1.004718357811572
Energy: 1.5917821105135963
Energy: 1.1449536970863785
Energy: 1.04770763736071
Energy: 1.1449536970862042
Energy: 1.005367740282816
Energy: 1.0045792487064267
Energy: 1.2377668923661476
Energy: 1.0045792487062308
Energy: 1.0053134174587184
Energy: 1.0474362704607525
Energy: 1.237162251082725
Energy: 1.0474362704607525
Energy: 1.5913198655942653
Energy: 1.0479779005725687
Energy: 1.0474876863681333
Energy: 1.0479779005721985
Energy: 1.0475297071700351
Energy: 1.0473136441383977
Energy: 1.048271663418357
Energy: 1.0473136441385937

minimum gb energy = 1.0035956292111476 eV
minimum distance =  2.32236328472588 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.153792121227621
Energy: 1.1037993162012452
Energy: 1.2080182219631335
Energy: 1.1037993162014605
Energy: 1.4287949563543079
Energy: 1.1989441318554643
Energy: 1.161619077584841
Energy: 1.1989441318554643
Energy: 1.2856166997691367
Energy: 1.1502258601471862
Energy: 1.1621666741875898
Energy: 1.1502258601471862
Energy: 1.1117274627340767
Energy: 1.1936116412403388
Energy: 1.1315387185680057
Energy: 1.193611641240581
Energy: 1.1954667930210474
Energy: 1.1984849903572146
Energy: 1.4705316462996134
Energy: 1.198484990356999
Energy: 1.5381768370999576
Energy: 1.1476767070022376
Energy: 1.1480611959608364
Energy: 1.1476767070029377
Energy: 1.2876902675641466
Energy: 1.1946139779198388
Energy: 1.1481205390737348
Energy: 1.1946139779191383
Energy: 1.1948599160098297
Energy: 1.2235473112879183
Energy: 1.4714930163596673
Energy: 1.2235473112881605
Energy: 1.223616151109467
Energy: 1.1478174304201858
Energy: 1.1480945533476896
Energy: 1.1478174304201858
Energy: 1.2717270085342747
Energy: 1.1481731664234747
Energy: 1.1481993379134134
Energy: 1.1481731664241748
Energy: 1.1513511184236642
Energy: 1.1937533778059999
Energy: 1.4657122453547498
Energy: 1.1937533778059999
Energy: 1.1931219121843417
Energy: 1.1485912390672641
Energy: 1.1324535557231312
Energy: 1.1485912390672641
Energy: 1.4153175166096907
Energy: 1.1500406370761496
Energy: 1.1514870161866753
Energy: 1.1500406370761496
Energy: 1.4456140403046553
Energy: 1.1985345534222331
Energy: 1.2907618610439748
Energy: 1.1985345534224754
Energy: 1.4457319501586876
Energy: 1.0891697813557384
Energy: 1.2903052003739761
Energy: 1.089169781355496
Energy: 1.4286199906037553
Energy: 1.1384414223207442
Energy: 1.131579961373152
Energy: 1.1384414223207442
Energy: 1.1942039612460924
Energy: 1.148313148067196
Energy: 1.1510297535820266
Energy: 1.1483131480678963

minimum gb energy = 1.089169781355496 eV
minimum distance =  2.30288150141886 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.5732893460482114
Energy: 1.514536428552793
Energy: 1.2601223697584258
Energy: 1.5145364285514502
Energy: 1.3729190251108527
Energy: 1.2278434050474907
Energy: 1.2689271917145557
Energy: 1.227843405048833
Energy: 1.384092743428249
Energy: 1.2161471820305174
Energy: 1.1935215792084783
Energy: 1.216147182029175
Energy: 1.1898860036087995
Energy: 1.1879414982967942
Energy: 1.2370169508105635
Energy: 1.1879414982967942
Energy: 1.2241919604515452
Energy: 1.2279606098842453
Energy: 1.4187796074417358
Energy: 1.2279606098842453
Energy: 1.4145392151983447
Energy: 1.1669645213368445
Energy: 1.2153635435114918
Energy: 1.1669645213381872
Energy: 1.3103518873667503
Energy: 1.1892669439586343
Energy: 1.3764393271006703
Energy: 1.1892669439586343
Energy: 1.2185534509933296
Energy: 1.18737853112931
Energy: 1.4648026021943896
Energy: 1.18737853112931
Energy: 1.2000786104627366
Energy: 1.2342677854822606
Energy: 1.1729509846867119
Energy: 1.2342677854822606
Energy: 1.4317842556471163
Energy: 1.169681093973583
Energy: 1.2356861584468652
Energy: 1.1696810939749256
Energy: 1.2171928851394223
Energy: 1.2169048113530694
Energy: 1.435219263418272
Energy: 1.2169048113530694
Energy: 1.216675204651675
Energy: 1.2347453581457388
Energy: 1.2615939781734542
Energy: 1.2347453581443963
Energy: 1.3948203972662059
Energy: 1.2449462701806493
Energy: 1.2634191697834665
Energy: 1.2449462701793068
Energy: 1.2162360638360685
Energy: 1.2169875586932617
Energy: 1.2471467646241776
Energy: 1.2169875586932617
Energy: 1.2172968278689453
Energy: 1.1839493201761422
Energy: 1.4458785010014745
Energy: 1.1839493201761422
Energy: 1.4412155680941472
Energy: 1.2343825499047967
Energy: 1.1736849682171542
Energy: 1.234382549906139
Energy: 1.220293868442151
Energy: 1.2722319341365114
Energy: 1.2343825914522368
Energy: 1.2722319341365114
Energy: 1.2002768907961336
Energy: 1.2574344901123098
Energy: 1.394324456322199
Energy: 1.2574344901123098
Energy: 1.2987717782113857
Energy: 1.1680329932157365
Energy: 1.3659957263927478
Energy: 1.1680329932157365
Energy: 1.410146210879968
Energy: 1.1682394715363946
Energy: 1.3661007012789972
Energy: 1.1682394715350524
Energy: 1.1869834713594074
Energy: 1.2655007065223056
Energy: 1.4367784053936332
Energy: 1.265500706523648
Energy: 1.1870045336635513
Energy: 1.277765538066315
Energy: 1.2155176756676884
Energy: 1.277765538066315
Energy: 1.4038309576888068
Energy: 1.2159612605650618
Energy: 1.1976813553010746
Energy: 1.2159612605650618
Energy: 1.3642673039023276
Energy: 1.174206398222547
Energy: 1.3118639540189636
Energy: 1.174206398222547
Energy: 1.364380459857889
Energy: 1.1730974496538402
Energy: 1.3802803837959436
Energy: 1.1730974496538402
Energy: 1.4116297315942599
Energy: 1.214334652818403
Energy: 1.215652670931561
Energy: 1.2143346528197454
Energy: 1.1829905162211942
Energy: 1.2346540427799677
Energy: 1.1976172186773315
Energy: 1.2346540427799677
Energy: 1.1875226362262545
Energy: 1.1877352694218095
Energy: 1.4428346862305879
Energy: 1.1877352694218095
Energy: 1.3771812587460794
Energy: 1.1677969457895463
Energy: 1.3676489036034492
Energy: 1.1677969457895463
Energy: 1.2615406057186886
Energy: 1.1673726660116828
Energy: 1.2136618351833626
Energy: 1.1673726660116828

minimum gb energy = 1.1669645213368445 eV
minimum distance =  2.30743641406491 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.1986314024189453
Energy: 1.2033658579172022
Energy: 1.3897264987178168
Energy: 1.2033658579172022
Energy: 1.278144711992187
Energy: 1.2007418814047688
Energy: 1.1985387531904004
Energy: 1.2007418814047688
Energy: 1.6535708996922909
Energy: 1.2974007230795246
Energy: 1.305461569581981
Energy: 1.2974007230798408
Energy: 1.3054484980999281
Energy: 1.2973739866504768
Energy: 1.6532159985314783
Energy: 1.2973739866498797
Energy: 1.1985627919371684
Energy: 1.2006932026557122
Energy: 1.2781434411436263
Energy: 1.2006932026551156
Energy: 1.3897264978064987
Energy: 1.2033658579175184
Energy: 1.1986314024189453
Energy: 1.2033658579175184
Energy: 1.1985387531904004
Energy: 1.2007418814047688
Energy: 1.2781447119927842
Energy: 1.20074188140505
Energy: 1.305461569581981
Energy: 1.2974007230798408
Energy: 1.653570899692607
Energy: 1.2974007230795246
Energy: 1.6532159985290198
Energy: 1.297373986650793
Energy: 1.3054484981002443
Energy: 1.2973739866504768
Energy: 1.2781434411436263
Energy: 1.2006932026557122
Energy: 1.1985627919374846
Energy: 1.2006932026553963
Energy: 1.1986314024189453
Energy: 1.2033658579175184
Energy: 1.3897264967265361
Energy: 1.2033658579172022
Energy: 1.2781447119925031
Energy: 1.20074188140505
Energy: 1.1985387531904004
Energy: 1.2007418814047688
Energy: 1.6535708996935201
Energy: 1.2974007230795246
Energy: 1.3054615695816647
Energy: 1.2974007230795246

minimum gb energy = 1.1985387531904004 eV
minimum distance =  2.31246470885445 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.401761551091971
Energy: 1.2912259492198792
Energy: 1.4497658866433256
Energy: 1.2912259492187355
Energy: 1.552800108570149
Energy: 1.281025539936452
Energy: 1.3924417228163992
Energy: 1.281025539935308
Energy: 1.3265551898256567
Energy: 1.25610691541219
Energy: 1.255677125750322
Energy: 1.256106915411046
Energy: 1.2643769662391866
Energy: 1.279453785777761
Energy: 1.3684587392227634
Energy: 1.2794537857789048
Energy: 1.3188236321747993
Energy: 1.2429279486558489
Energy: 1.5572144502741725
Energy: 1.2429279486558489
Energy: 1.5214646956048576
Energy: 1.3503887082653732
Energy: 1.399612592231305
Energy: 1.3503887082665171
Energy: 1.3813826142416337
Energy: 1.329597770578376
Energy: 1.5790115562390639
Energy: 1.3295977705795199
Energy: 1.2422785653155803
Energy: 1.2904333741292997
Energy: 1.3280198490314419
Energy: 1.2904333741304437
Energy: 1.3345277258506378
Energy: 1.2568571192221654
Energy: 1.2888325340394373
Energy: 1.2568571192210216
Energy: 1.4059213810513769
Energy: 1.2566246360967561
Energy: 1.3499098381360304
Energy: 1.2566246360967561
Energy: 1.2695236870854636
Energy: 1.3590802385023533
Energy: 1.5490506504477553
Energy: 1.3590802385023533
Energy: 1.5958744436553047
Energy: 1.2923988224849914
Energy: 1.3300225882457122
Energy: 1.2923988224861354
Energy: 1.3149049336038214
Energy: 1.2741908877658958
Energy: 1.2750125805962027
Energy: 1.274190887764752
Energy: 1.3170251530135464
Energy: 1.2804577948570495
Energy: 1.4242118645870674
Energy: 1.2804577948559057
Energy: 1.3217064610054536
Energy: 1.2903998159253418
Energy: 1.2737139085367877
Energy: 1.2903998159264856
Energy: 1.5531104223034997
Energy: 1.273969892852604
Energy: 1.277182917171494
Energy: 1.27396989285146
Energy: 1.4389573587802456
Energy: 1.2741006333537928
Energy: 1.6179567908261159
Energy: 1.2741006333549365
Energy: 1.2730168653268903
Energy: 1.3582481209629427
Energy: 1.3455522802245437
Energy: 1.3582481209629427
Energy: 1.5878660413925785
Energy: 1.3609330747100017
Energy: 1.3095690296683835
Energy: 1.3609330747100017
Energy: 1.289172697874019
Energy: 1.273928850966924
Energy: 1.2914037064241832
Energy: 1.2739288509680677
Energy: 1.2418292932854829
Energy: 1.2899509404363025
Energy: 1.3117458711929975
Energy: 1.2899509404385903
Energy: 1.5306211019237268
Energy: 1.2426169692733235
Energy: 1.3974876683887778
Energy: 1.2426169692744675
Energy: 1.415991585771706
Energy: 1.347147080038098
Energy: 1.3978006263835212
Energy: 1.3471470800358103
Energy: 1.3388282997583019
Energy: 1.3588279670527927
Energy: 1.482351521714016
Energy: 1.3588279670539367
Energy: 1.262978469279945
Energy: 1.2900506491080703
Energy: 1.2555651029702122
Energy: 1.2900506491069264
Energy: 1.494398216339592
Energy: 1.31624929147797
Energy: 1.2558536229462578
Energy: 1.3162492914768262
Energy: 1.5794695326370816
Energy: 1.2386848196377724
Energy: 1.5632771690395024
Energy: 1.2386848196377724
Energy: 1.401207026903065
Energy: 1.238830444088402
Energy: 1.5624295162548183
Energy: 1.238830444088402
Energy: 1.4784035966979645
Energy: 1.3166555546654195
Energy: 1.3029543272753354
Energy: 1.3166555546642755
Energy: 1.2628773736216534
Energy: 1.2899120188211686
Energy: 1.2554543005419834
Energy: 1.2899120188200248
Energy: 1.31486793226866
Energy: 1.3563907827517108
Energy: 1.4793658773092957
Energy: 1.3563907827528545
Energy: 1.4161489333715385
Energy: 1.2426317805871423
Energy: 1.4002534877631105
Energy: 1.24263178058943
Energy: 1.6240230221180965
Energy: 1.242448908838864
Energy: 1.4035779758068831
Energy: 1.242448908838864
Energy: 1.2421737840999263
Energy: 1.2902320707457138
Energy: 1.5706208970624407
Energy: 1.2902320707457138
Energy: 1.2645699043098053
Energy: 1.2736937587241566
Energy: 1.2842905388584185
Energy: 1.2736937587253003

minimum gb energy = 1.2386848196377724 eV
minimum distance =  2.27087176173801 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4523377938423636
Energy: 1.358023984590212
Energy: 1.4955768984336668
Energy: 1.3580239845900264
Energy: 1.4720111329434702
Energy: 1.299538521166583
Energy: 1.4053931584685084
Energy: 1.2995385211669543
Energy: 1.351355519519078
Energy: 1.3209204815095723
Energy: 1.2303073136851241
Energy: 1.320920481509923
Energy: 1.2777379845116454
Energy: 1.2624986100888835
Energy: 1.3187807403197311
Energy: 1.2624986100885125
Energy: 1.4298947503601744
Energy: 1.262470095042791
Energy: 1.463777691250346
Energy: 1.2624700950420693
Energy: 1.6703122931226198
Energy: 1.3798537999810743
Energy: 1.246403249394896
Energy: 1.3798537999810743
Energy: 1.3182538870246128
Energy: 1.3041857461243243
Energy: 1.5055341793440475
Energy: 1.3041857461245097
Energy: 1.2637651087035058
Energy: 1.2627793218129115
Energy: 1.3617384090476066
Energy: 1.262779321812726
Energy: 1.5308955368277362
Energy: 1.3208704001488454
Energy: 1.3536218548134458
Energy: 1.3208704001488454
Energy: 1.262574020548853
Energy: 1.3209646843188287
Energy: 1.354561013177093
Energy: 1.320964684319365
Energy: 1.2624122855618556
Energy: 1.2628878110551334
Energy: 1.6459173953462762
Energy: 1.2628878110554838
Energy: 1.5648050987682494
Energy: 1.2626070869357748
Energy: 1.4822160155796429
Energy: 1.2626070869354036
Energy: 1.4277502610819082
Energy: 1.2623919488023407
Energy: 1.2445527461997947
Energy: 1.262391948802712
Energy: 1.3155309462313782
Energy: 1.423722536905571
Energy: 1.525452660404424
Energy: 1.4237225369062927
Energy: 1.277627133137924
Energy: 1.262309721796709
Energy: 1.3200718699151388
Energy: 1.26230972179708
Energy: 1.4100877704429973
Energy: 1.3209666150834527
Energy: 1.2306119824337816
Energy: 1.3209666150836383
Energy: 1.4369572826314392
Energy: 1.2444616240449657
Energy: 1.6530751132774566
Energy: 1.2444616240451307
Energy: 1.436890954862722
Energy: 1.2447996128233452
Energy: 1.6507546636553005
Energy: 1.2447996128231598
Energy: 1.596323859485157
Energy: 1.3211256742594135
Energy: 1.3195093205519306
Energy: 1.3211256742590423
Energy: 1.2772967921137344
Energy: 1.262616108623776
Energy: 1.2303925780066924
Energy: 1.2626161086235903
Energy: 1.352119331656173
Energy: 1.386029016365948
Energy: 1.5278615950311514
Energy: 1.3860290163663194
Energy: 1.4277138625634322
Energy: 1.2625793650181099
Energy: 1.2446438647476727
Energy: 1.2625793650173882

minimum gb energy = 1.2303073136851241 eV
minimum distance =  2.26916014356997 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.5848642663265804
Energy: 1.3867014038502568
Energy: 1.4862242950364315
Energy: 1.38670140385154
Energy: 1.519805619503834
Energy: 1.3080136257699861
Energy: 1.3171060899380918
Energy: 1.308013625768703
Energy: 1.2995753066033329
Energy: 1.2843913084642096
Energy: 1.2839940551821398
Energy: 1.2843913084642096
Energy: 1.3047327883390274
Energy: 1.2374942187812485
Energy: 1.2847050635493726
Energy: 1.2374942187799653
Energy: 1.3944995086431773
Energy: 1.2844037736361864
Energy: 1.2368208825352907
Energy: 1.284403773634903
Energy: 1.813077890454619
Energy: 1.2373882490551436
Energy: 1.2385773929570842
Energy: 1.2373882490551436
Energy: 1.274926204349554
Energy: 1.3157339922773772
Energy: 1.5864944749297172
Energy: 1.3157339922773772
Energy: 1.2384782647173809
Energy: 1.2383779295823718
Energy: 1.3868174732681522
Energy: 1.2383779295823718
Energy: 1.623297933241282
Energy: 1.2843322694086725
Energy: 1.3181873459868665
Energy: 1.2843322694086725
Energy: 1.2829579267184215
Energy: 1.237847266244713
Energy: 1.305226040423344
Energy: 1.237847266244713
Energy: 1.2830569437595027
Energy: 1.284779631795333
Energy: 1.3846813223629542
Energy: 1.284779631795333
Energy: 1.7254298209448877
Energy: 1.2375455079034894
Energy: 1.4990747197378604
Energy: 1.2375455079034894
Energy: 1.7221233882429805
Energy: 1.2378349821284713
Energy: 1.5034394899344443
Energy: 1.2378349821297545
Energy: 1.284756482462924
Energy: 1.2851108438746537
Energy: 1.6520537015076524
Energy: 1.2851108438746537
Energy: 1.2832985698073682
Energy: 1.238244488017252
Energy: 1.299288595375226
Energy: 1.238244488017252
Energy: 1.622145532277564
Energy: 1.385590031206392
Energy: 1.3157133762116142
Energy: 1.3855900312076752
Energy: 1.236526403867604
Energy: 1.2374881520727974
Energy: 1.3869942805934228
Energy: 1.2374881520727974
Energy: 1.2370460326584827
Energy: 1.2847218564959546
Energy: 1.6135143876816394
Energy: 1.2847218564959546
Energy: 1.830002835568013
Energy: 1.2374997842257844
Energy: 1.2366076823040502
Energy: 1.2374997842257844
Energy: 1.3878525745864854
Energy: 1.284190725710239
Energy: 1.2367196521446455
Energy: 1.284190725710239
Energy: 1.2994232407251505
Energy: 1.3156052661755098
Energy: 1.4035596648112778
Energy: 1.3156052661755098
Energy: 1.299331249148183
Energy: 1.285096219675512
Energy: 1.2885036185984817
Energy: 1.285096219675512
Energy: 1.519394158555216
Energy: 1.310751673920323
Energy: 1.3169625895584673
Energy: 1.310751673920323
Energy: 1.5009573684071893
Energy: 1.2380933862949073
Energy: 1.7211380771974232
Energy: 1.2380933862949073
Energy: 1.5038339228649604
Energy: 1.2381877837252266
Energy: 1.3017827063927359
Energy: 1.2381877837252266
Energy: 1.384647326918916
Energy: 1.285917235229898
Energy: 1.2882632901264837
Energy: 1.285917235229898
Energy: 1.301055578576148
Energy: 1.2377272914699704
Energy: 1.2842495118082997
Energy: 1.2377272914712538
Energy: 1.3952166107337978
Energy: 1.28385752550436
Energy: 1.5586634220733415
Energy: 1.28385752550436
Energy: 1.3868159001939062
Energy: 1.2371704694514465
Energy: 1.2366711071379723
Energy: 1.2371704694514465
Energy: 1.5920595339320813
Energy: 1.333101039314143
Energy: 1.5920578482265002
Energy: 1.333101039314143
Energy: 1.2366729918840278
Energy: 1.237153607971445
Energy: 1.3868159001939062
Energy: 1.237153607971445

minimum gb energy = 1.236526403867604 eV
minimum distance =  2.28760907603078 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.1107923263019022
Energy: 1.2001794131653787
Energy: 1.4982208952358458
Energy: 1.2001794131658006
Energy: 1.579125561815337
Energy: 1.1912641634812857
Energy: 1.1979915873094005
Energy: 1.1912641634817327
Energy: 1.4986327811812785
Energy: 1.1666907547572885
Energy: 1.167881555543168
Energy: 1.1666907547572885
Energy: 1.6278398526037559
Energy: 1.2002532426944075
Energy: 1.1669952822541627
Energy: 1.2002532426939607
Energy: 1.6615849508841485
Energy: 1.16669770743723
Energy: 1.1669825005155592
Energy: 1.16669770743723
Energy: 1.4472219520600225
Energy: 1.1680964852323492
Energy: 1.166659037170702
Energy: 1.1680964852323492
Energy: 1.3204661007536524
Energy: 1.166538370758545
Energy: 1.4776389011664601
Energy: 1.166538370758545
Energy: 1.1086938048783437
Energy: 1.1681544139305131
Energy: 1.8339927842406427
Energy: 1.1681544139309603
Energy: 1.6152580429196923
Energy: 1.1984571614430644
Energy: 1.1984373464613753
Energy: 1.1984571614434865

minimum gb energy = 1.1086938048783437 eV
minimum distance =  2.33777795585447 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.3641510202994376
Energy: 1.2387689368116204
Energy: 1.5483528824921629
Energy: 1.2387689368128327
Energy: 1.3552638084255115
Energy: 1.212881365981502
Energy: 1.3200529926870028
Energy: 1.212881365981502
Energy: 1.274535233803044
Energy: 1.2675216434022483
Energy: 1.266923078925968
Energy: 1.2675216434022483
Energy: 1.2745555454671222
Energy: 1.2764839427106027
Energy: 1.3446798031797582
Energy: 1.2764839427093908
Energy: 1.2062694293723202
Energy: 1.2665678179897435
Energy: 1.2389053786831574
Energy: 1.2665678179909556
Energy: 1.3398316051739498
Energy: 1.2960719942920527
Energy: 1.2363029660871632
Energy: 1.2960719942920527
Energy: 1.343011295294698
Energy: 1.2505108597659595
Energy: 1.3926645058099045
Energy: 1.250510859763535
Energy: 1.3453531271766828
Energy: 1.2499691173596859
Energy: 1.518248473159278
Energy: 1.2499691173596859
Energy: 1.542670359211235
Energy: 1.2298343040208786
Energy: 1.3352157354842857
Energy: 1.2298343040196662
Energy: 1.5457162988708586
Energy: 1.2299021858781964
Energy: 1.338663095089142
Energy: 1.2299021858794086
Energy: 1.2668027475921386
Energy: 1.2674060951199537
Energy: 1.3055035968424489
Energy: 1.2674060951199537
Energy: 1.2679316918873602
Energy: 1.2674663880410875
Energy: 1.2355660616252404
Energy: 1.2674663880410875
Energy: 1.3708312893429968
Energy: 1.3187992460089333
Energy: 1.2344253384734
Energy: 1.3187992460089333
Energy: 1.2245154148870652
Energy: 1.2686402612551964
Energy: 1.2346336344917848
Energy: 1.2686402612564087
Energy: 1.247314076444241
Energy: 1.41463834447359
Energy: 1.460403988191539
Energy: 1.41463834447359
Energy: 1.5871307925847453
Energy: 1.2413730845015583
Energy: 1.3335309881563335
Energy: 1.2413730845015583
Energy: 1.4409344248514377
Energy: 1.2312853753701025
Energy: 1.461622359739956
Energy: 1.2312853753713149
Energy: 1.2461181244411852
Energy: 1.251569101095265
Energy: 1.5234124375550515
Energy: 1.2515691010964771
Energy: 1.342904303965902
Energy: 1.247250599759589
Energy: 1.2953818837853501
Energy: 1.247250599759589
Energy: 1.2638183078131158
Energy: 1.2928233744598718
Energy: 1.2413633665640957
Energy: 1.292823374461084
Energy: 1.264801545336729
Energy: 1.275570416021069
Energy: 1.2970607388363984
Energy: 1.275570416021069
Energy: 1.3540239936357228
Energy: 1.2669677953327538
Energy: 1.2507122239873874
Energy: 1.2669677953327538
Energy: 1.274709067080208
Energy: 1.26618517995607
Energy: 1.2524789304909867
Energy: 1.26618517995607
Energy: 1.469815837077382
Energy: 1.2272796071603005
Energy: 1.649543553230109
Energy: 1.2272796071603005
Energy: 1.465497267773918
Energy: 1.2280276769360043
Energy: 1.70182256260197
Energy: 1.2280276769360043
Energy: 1.3744402340220265
Energy: 1.2656939411657802
Energy: 1.2508318686616477
Energy: 1.2656939411657802
Energy: 1.3156129653034314
Energy: 1.2657443491110567
Energy: 1.2524504434437118
Energy: 1.2657443491110567
Energy: 1.3031643618509352
Energy: 1.2773891506042188
Energy: 1.408817171111685
Energy: 1.2773891506042188
Energy: 1.2654674642792065
Energy: 1.2673235726436523
Energy: 1.238263429917933
Energy: 1.2673235726436523
Energy: 1.3592051371677507
Energy: 1.3722081875030439
Energy: 1.3037022057010361
Energy: 1.3722081875030439
Energy: 1.2924794791414322
Energy: 1.2525479350334265
Energy: 1.3901923780548398
Energy: 1.2525479350346387
Energy: 1.3413088526520291
Energy: 1.2202765646322238
Energy: 1.516368840075725
Energy: 1.2202765646310114
Energy: 1.7052692814336088
Energy: 1.232485123206687
Energy: 1.333044812810796
Energy: 1.232485123206687

minimum gb energy = 1.2062694293723202 eV
minimum distance =  2.2700748687412 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.3502889934389717
Energy: 1.2234960336486216
Energy: 1.645147201638359
Energy: 1.2234960336502976
Energy: 1.2211171440651967
Energy: 1.191008867966075
Energy: 1.3267346166580376
Energy: 1.1910088679643989
Energy: 1.3447465573827284
Energy: 1.2544785926144355
Energy: 1.4063101525157489
Energy: 1.2544785926144355
Energy: 1.2543704670839444
Energy: 1.252583504783464
Energy: 1.2981408658941254
Energy: 1.252583504783464
Energy: 1.214630430724708
Energy: 1.1845103606813008
Energy: 1.2135779307256527
Energy: 1.1845103606796246
Energy: 1.212775551298945
Energy: 1.226014960255016
Energy: 1.2131479238233578
Energy: 1.226014960255016
Energy: 1.3588666284818471
Energy: 1.2467741042481097
Energy: 1.4229817569318302
Energy: 1.2467741042481097
Energy: 1.3585173858746613
Energy: 1.2466494646726807
Energy: 1.4721239714157015
Energy: 1.2466494646726807
Energy: 1.3462693118299447
Energy: 1.184725654434903
Energy: 1.2047877622782628
Energy: 1.184725654434903
Energy: 1.3462693118316207
Energy: 1.1846105625083319
Energy: 1.2039066056391416
Energy: 1.1846105625083319
Energy: 1.3588857225598399
Energy: 1.246899345802249
Energy: 1.4721239714157015
Energy: 1.246899345802249
Energy: 1.3587925964189407
Energy: 1.2466782033155643
Energy: 1.422981756933506
Energy: 1.2466782033155643
Energy: 1.212827790361127
Energy: 1.2694316507380907
Energy: 1.2137012631182456
Energy: 1.2694316507380907
Energy: 1.2148314702460148
Energy: 1.1849178577939277
Energy: 1.2135377483600858
Energy: 1.1849178577939277
Energy: 1.2339502165841736
Energy: 1.2518999225820795
Energy: 1.2984415163611007
Energy: 1.2518999225820795
Energy: 1.3447465573827284
Energy: 1.2536739797280008
Energy: 1.4060285409264077
Energy: 1.2536739797280008
Energy: 1.2836481839001577
Energy: 1.1952055633757905
Energy: 1.297447849512192
Energy: 1.1952055633741143
Energy: 1.3502889934389717
Energy: 1.2234960336502976
Energy: 1.6451472005611403
Energy: 1.2234960336502976
Energy: 1.2211171440651967
Energy: 1.191008867966075
Energy: 1.3267346166580376
Energy: 1.1910088679643989
Energy: 1.3447465573827284
Energy: 1.2544785926144355
Energy: 1.4063101525140727
Energy: 1.2544785926144355
Energy: 1.2543704670839444
Energy: 1.252583504783464
Energy: 1.2981408658941254
Energy: 1.252583504783464
Energy: 1.214630430724708
Energy: 1.1845103606813008
Energy: 1.2135779307256527
Energy: 1.1845103606796246
Energy: 1.2127755513006213
Energy: 1.226014960255016
Energy: 1.2131479238233578
Energy: 1.226014960255016
Energy: 1.3588666284818471
Energy: 1.2467741042481097
Energy: 1.422981756933506
Energy: 1.2467741042481097

minimum gb energy = 1.1845103606796246 eV
minimum distance =  2.25722307799003 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4198624953967198
Energy: 1.2188815203104553
Energy: 1.7816592472946
Energy: 1.2188815203104553
Energy: 1.3148803938935996
Energy: 1.2243416870121369
Energy: 1.2979038134846232
Energy: 1.2243416870121369
Energy: 1.2457103449185631
Energy: 1.2230006935727455
Energy: 1.237816997707746
Energy: 1.2230006935717097
Energy: 1.2644354547228362
Energy: 1.2342934057467265
Energy: 1.3817912452098595
Energy: 1.2342934057467265
Energy: 1.2528183988828852
Energy: 1.2174047858763088
Energy: 1.241404367325686
Energy: 1.2174047858763088
Energy: 1.2625535870845566
Energy: 1.248647019302769
Energy: 1.241405589852503
Energy: 1.2486470193017332
Energy: 1.2279347354046053
Energy: 1.2300870720413637
Energy: 1.2173767995539182
Energy: 1.2300870720413637
Energy: 1.226303909021141
Energy: 1.2300430831748876
Energy: 1.2514531183612383
Energy: 1.2300430831748876
Energy: 1.4514900624044538
Energy: 1.2067004131574064
Energy: 1.3922608337926015
Energy: 1.2067004131553345
Energy: 1.491125997800323
Energy: 1.2065230379997403
Energy: 1.3916401936405884
Energy: 1.2065230380028482
Energy: 1.2862339536897047
Energy: 1.2105523115174168
Energy: 1.2517980198640977
Energy: 1.2105523115184529
Energy: 1.2835290390014256
Energy: 1.2104217884464394
Energy: 1.2502665316751103
Energy: 1.2104217884454034
Energy: 1.2705751345708611
Energy: 1.235787535310112
Energy: 1.2420133126147697
Energy: 1.235787535310112
Energy: 1.2265119310220194
Energy: 1.2176124144266307
Energy: 1.240817295561228
Energy: 1.2176124144255944
Energy: 1.2253417191246745
Energy: 1.2564562320621238
Energy: 1.2461916376740967
Energy: 1.256456232061088
Energy: 1.2284332314010247
Energy: 1.230124163924176
Energy: 1.2130531818823946
Energy: 1.230124163924176
Energy: 1.3780999378745047
Energy: 1.2120679022616665
Energy: 1.2773506257717926
Energy: 1.2120679022585588
Energy: 1.2804111553920487
Energy: 1.2197911681762303
Energy: 1.472807181950297
Energy: 1.2197911681772664
Energy: 1.2813667919677536
Energy: 1.200721530044263
Energy: 1.2779110365248276
Energy: 1.200721530043227
Energy: 1.5904424926797407
Energy: 1.2152032086025895
Energy: 1.2823021538994734
Energy: 1.2152032086025895
Energy: 1.3067426643878515
Energy: 1.3282979598436027
Energy: 1.3691836148781191
Energy: 1.3282979598446385
Energy: 1.2270512710248702
Energy: 1.217818169409041
Energy: 1.2244520553681375
Energy: 1.2178181694111132
Energy: 1.3251574414889262
Energy: 1.2967564346197333
Energy: 1.2767274847244703
Energy: 1.2967564346207692
Energy: 1.2193867720757152
Energy: 1.2307639000361885
Energy: 1.2053938833384188
Energy: 1.2307639000351525
Energy: 1.2207023148733458
Energy: 1.2574823309315422
Energy: 1.2929192666492495
Energy: 1.2574823309315422
Energy: 1.2472404416763943
Energy: 1.218288048491642
Energy: 1.2241554989947239
Energy: 1.2182880484906062
Energy: 1.330810143693443
Energy: 1.2181852532868436
Energy: 1.2876054541835587
Energy: 1.2181852532858077
Energy: 1.3845892766738048
Energy: 1.1927027158749337
Energy: 1.660434066646211
Energy: 1.1927027158770058
Energy: 1.3895123216809275
Energy: 1.1934175464137615
Energy: 1.503764425561219
Energy: 1.1934175464137615
Energy: 1.245736932796585
Energy: 1.218270629951627
Energy: 1.2244515866589367
Energy: 1.218270629952663
Energy: 1.2488380697896382
Energy: 1.2184064948140565
Energy: 1.287827762419742
Energy: 1.2184064948161286
Energy: 1.21921924179049
Energy: 1.2554058983820668
Energy: 1.2483065578436379
Energy: 1.2554058983820668
Energy: 1.2208643021886862
Energy: 1.2311192066093568
Energy: 1.203107592746211
Energy: 1.2311192066103926
Energy: 1.302530266291179
Energy: 1.234230934626373
Energy: 1.2248691199416488
Energy: 1.2342309346222293
Energy: 1.2259237582900486
Energy: 1.2183123799493936
Energy: 1.258156201642126
Energy: 1.2183123799483577
Energy: 1.305425491408663
Energy: 1.1984228370137326
Energy: 1.372672504899428
Energy: 1.1984228370168404
Energy: 1.6440330846964175
Energy: 1.2098558938683077
Energy: 1.2822146362763345
Energy: 1.2098558938662358
Energy: 1.3794844674786548
Energy: 1.19993984722692
Energy: 1.2940511263886978
Energy: 1.1999398472258838

minimum gb energy = 1.1927027158749337 eV
minimum distance =  2.28016211293873 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.319435873358224
Energy: 1.1364865188051418
Energy: 1.6018731701900326
Energy: 1.13648651880431
Energy: 1.220328905444724
Energy: 1.1693783335365935
Energy: 1.272093069065993
Energy: 1.1693783335363162
Energy: 1.3402947786207566
Energy: 1.127745941945089
Energy: 1.1418235113103492
Energy: 1.127745941945089
Energy: 1.1898081030726473
Energy: 1.1977728385140691
Energy: 1.3434591988285793
Energy: 1.1977728385140691
Energy: 1.2054586789906603
Energy: 1.1830283310883478
Energy: 1.184407091622399
Energy: 1.1830283310883478
Energy: 1.1822626787682153
Energy: 1.3552620583121642
Energy: 1.1846352961015814
Energy: 1.3552620583118873
Energy: 1.185066829175915
Energy: 1.1278695099508387
Energy: 1.1841167275460611
Energy: 1.1278695099510854
Energy: 1.1833375688555017
Energy: 1.1949231282325763
Energy: 1.3441405193556184
Energy: 1.1949231282322992
Energy: 1.3414259140530853
Energy: 1.1830926436695313
Energy: 1.1221873536854048
Energy: 1.1830926436695313
Energy: 1.1824558851520601
Energy: 1.1839860205145756
Energy: 1.1208734646404461
Energy: 1.1839860205140214
Energy: 1.2635105868952565
Energy: 1.127791189045972
Energy: 1.3441753287756377
Energy: 1.1277911890462489
Energy: 1.2632601032339317
Energy: 1.1287128805254512
Energy: 1.344126092867435
Energy: 1.1287128805252045
Energy: 1.3414312329091858
Energy: 1.1832593842647907
Energy: 1.1222927280566486
Energy: 1.1832593842645132
Energy: 1.3398897177144546
Energy: 1.1842557105442562
Energy: 1.1206602485666106
Energy: 1.184255710543702
Energy: 1.1847298633047467
Energy: 1.1830740739458814
Energy: 1.2565820194372048
Energy: 1.1830740739458814

minimum gb energy = 1.1206602485666106 eV
minimum distance =  2.28470537123752 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.194228300091647
Energy: 1.1038372241713774
Energy: 1.4791339063471043
Energy: 1.1038372241713774
Energy: 1.2774026942453995
Energy: 1.1017060133587848
Energy: 1.1354217591667983
Energy: 1.1017060133587848
Energy: 1.2322561800991396
Energy: 1.0860247570669725
Energy: 1.1843237364374508
Energy: 1.0860247570669725
Energy: 1.1700497043036975
Energy: 1.1054022315175085
Energy: 1.135174584883476
Energy: 1.105402231518645
Energy: 1.1126816002599813
Energy: 1.1142255666936096
Energy: 1.1530040157402064
Energy: 1.1142255666936096
Energy: 1.2393195494906797
Energy: 1.1148442083142032
Energy: 1.1734816909940862
Energy: 1.1148442083142032
Energy: 1.1372372784721023
Energy: 1.0858675284391874
Energy: 1.1463354974262836
Energy: 1.0858675284403236
Energy: 1.1407810908776026
Energy: 1.130856587540753
Energy: 1.1361817054193077
Energy: 1.130856587540753
Energy: 1.1468900838617062
Energy: 1.1140304994754981
Energy: 1.104251328929135
Energy: 1.1140304994766341
Energy: 1.309907349264448
Energy: 1.1144235061827137
Energy: 1.1944550374939307
Energy: 1.1144235061827137
Energy: 1.1669071995436433
Energy: 1.0858140215434053
Energy: 1.2262431093827992
Energy: 1.0858140215434053
Energy: 1.1589640563344632
Energy: 1.086614718500591
Energy: 1.1360961781379917
Energy: 1.086614718500591
Energy: 1.2224133001415376
Energy: 1.0993352235734053
Energy: 1.170047067277724
Energy: 1.0993352235734053
Energy: 1.2173240614794534
Energy: 1.1013124993076124
Energy: 1.3011302934944071
Energy: 1.1013124993076124
Energy: 1.1665185716272
Energy: 1.0858804991133593
Energy: 1.2247688266948609
Energy: 1.0858804991133593
Energy: 1.1590425062648078
Energy: 1.0867935597396345
Energy: 1.2322845788415224
Energy: 1.0867935597396345
Energy: 1.2232673162568648
Energy: 1.1139923699118064
Energy: 1.1041750209416925
Energy: 1.1139923699118064
Energy: 1.15289373836303
Energy: 1.1143847001236966
Energy: 1.1948703047929339
Energy: 1.1143847001225604
Energy: 1.1368961716794153
Energy: 1.086542585415753
Energy: 1.1414610256593283
Energy: 1.086542585415753
Energy: 1.1414732070588556
Energy: 1.0864966086280228
Energy: 1.1368943997405994
Energy: 1.0864966086280228
Energy: 1.194883225371487
Energy: 1.1143834214815396
Energy: 1.1528777462006465
Energy: 1.1143834214826758
Energy: 1.1042128137640594
Energy: 1.1139740392749053
Energy: 1.2232673162557288
Energy: 1.1139740392749053
Energy: 1.2322845788403862
Energy: 1.0863115643482757
Energy: 1.1590438551991202
Energy: 1.0863115643494117
Energy: 1.2247688266948609
Energy: 1.0858697730170759
Energy: 1.1666589536961365
Energy: 1.085869773018212
Energy: 1.3013732613861235
Energy: 1.1013550304091557
Energy: 1.2173547441469166
Energy: 1.1013550304102917
Energy: 1.1700277069880054
Energy: 1.0994946844522488
Energy: 1.2224133001415376
Energy: 1.099494684453385
Energy: 1.1360754444714078
Energy: 1.0866088837582237
Energy: 1.1589697624741297
Energy: 1.0866088837582237
Energy: 1.2262431093827992
Energy: 1.085801708929285
Energy: 1.1664350128265921
Energy: 1.085801708929285
Energy: 1.1944123177394643
Energy: 1.1146257302514164
Energy: 1.3100488659004101
Energy: 1.1146257302514164
Energy: 1.10401815154106
Energy: 1.1140317454227882
Energy: 1.146711015033609
Energy: 1.1140317454227882
Energy: 1.1360125810122161
Energy: 1.13086024711846
Energy: 1.1405048233154211
Energy: 1.130860247117324
Energy: 1.1460524363788014
Energy: 1.0858570788545023
Energy: 1.1373151088753133
Energy: 1.0858570788545023
Energy: 1.1737230954774098
Energy: 1.1146002774881218
Energy: 1.239259661256711
Energy: 1.1146002774881218
Energy: 1.1529743433795485
Energy: 1.11422928487482
Energy: 1.112689030390279
Energy: 1.11422928487482
Energy: 1.1350499256456261
Energy: 1.1053654563310773
Energy: 1.1700384914562865
Energy: 1.1053654563310773

minimum gb energy = 1.085801708929285 eV
minimum distance =  2.30419626061241 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.1890701355315543
Energy: 1.0326467299217976
Energy: 1.427830160456583
Energy: 1.0326467299219975
Energy: 1.2170374059590852
Energy: 1.0517508333058159
Energy: 1.1092723559438065
Energy: 1.0517508333058159
Energy: 1.2238634169810492
Energy: 1.0154277142320738
Energy: 1.1407101186046724
Energy: 1.0154277142322738
Energy: 1.148319311870011
Energy: 1.0305978602088226
Energy: 1.1096987363223823
Energy: 1.0305978602090224
Energy: 1.1027022199340817
Energy: 1.013478577984052
Energy: 1.2129443833402642
Energy: 1.0134785779834747
Energy: 1.1918088339407058
Energy: 1.0554933751474318
Energy: 1.1290126053905054
Energy: 1.055493375147232
Energy: 1.1048817506522366
Energy: 1.0154325539511422
Energy: 1.0997828116734845
Energy: 1.015432553951342
Energy: 1.1043480327669657
Energy: 1.1550586433238261
Energy: 1.1244326875445758
Energy: 1.1550586433240262
Energy: 1.1120878673308177
Energy: 1.0135029463086074
Energy: 1.1244166535154352
Energy: 1.013502946309185
Energy: 1.1909796138432982
Energy: 1.0553674565040674
Energy: 1.1250162419084895
Energy: 1.0553674565040674
Energy: 1.0751524561651855
Energy: 1.0152857798449388
Energy: 1.1612363913972676
Energy: 1.015285779844361
Energy: 1.0849885606265972
Energy: 1.057107488368924
Energy: 1.1706545383416949
Energy: 1.0571074883683467
Energy: 1.2239140908670778
Energy: 1.0136688110791796
Energy: 1.1353709536892422
Energy: 1.013668811078802
Energy: 1.0697713253072272
Energy: 1.0159350076706912
Energy: 1.1373028537008552
Energy: 1.0159350076705134
Energy: 1.1406724610705745
Energy: 1.0315277794634006
Energy: 1.21143042559279
Energy: 1.0315277794632007
Energy: 1.1349985344053548
Energy: 1.038705090762827
Energy: 1.1667495381702697
Energy: 1.0387050907626272
Energy: 1.2239528566878102
Energy: 1.0137638937967672
Energy: 1.135422925635535
Energy: 1.013763893797167
Energy: 1.147983402976853
Energy: 1.0157859880955995
Energy: 1.1373089047467322
Energy: 1.0157859880959994
Energy: 1.0751695334680516
Energy: 1.0152391273042483
Energy: 1.2116592231132566
Energy: 1.015239127304448
Energy: 1.0750746326212364
Energy: 1.0566117675260203
Energy: 1.2130610716452401
Energy: 1.0566117675254427

minimum gb energy = 1.0134785779834747 eV
minimum distance =  2.29605504085134 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.1197461257704926
Energy: 0.9442796997699087
Energy: 1.2609708561683832
Energy: 0.9442796997683823
Energy: 1.007002331133323
Energy: 0.9716488758071637
Energy: 1.035296478616744
Energy: 0.9716488758071637
Energy: 1.0901171014684166
Energy: 0.9285460095143534
Energy: 1.0923909843422257
Energy: 0.9285460095158795
Energy: 1.0420788183793483
Energy: 0.9797746210234928
Energy: 1.035332284490379
Energy: 0.9797746210234928
Energy: 1.045020349997775
Energy: 0.9211823802517276
Energy: 1.0793559547401217
Energy: 0.9211823802517276
Energy: 1.0422795154997984
Energy: 0.9403673495572864
Energy: 1.0692181589472283
Energy: 0.9403673495572864
Energy: 1.0202638808653328
Energy: 0.9207257478531367
Energy: 1.0452408686765746
Energy: 0.9207257478531367
Energy: 1.0450932480255584
Energy: 0.9437266102855347
Energy: 1.0833925969402518
Energy: 0.9437266102855347
Energy: 1.015516422226883
Energy: 0.921272676208971
Energy: 1.0364291496143465
Energy: 0.9212726762074447
Energy: 1.063746387338721
Energy: 0.9954090359491041
Energy: 1.0466904297651685
Energy: 0.9954090359491041
Energy: 1.007089258309337
Energy: 0.9207108833856968
Energy: 1.0441843249705571
Energy: 0.9207108833856968
Energy: 1.0423210981770916
Energy: 0.9438364187318978
Energy: 1.0689840111325037
Energy: 0.9438364187334239
Energy: 1.0230271252192984
Energy: 0.9213404990587217
Energy: 1.0185570758510474
Energy: 0.9213404990587217
Energy: 1.1165919558765647
Energy: 0.9431537975699222
Energy: 1.0092583769866526
Energy: 0.9431537975699222
Energy: 0.9931874492772489
Energy: 0.9208293545602566
Energy: 1.0815789453093736
Energy: 0.9208293545617829
Energy: 1.0177644911447674
Energy: 0.9209405442967601
Energy: 1.034030553231121
Energy: 0.9209405442967601
Energy: 1.0865952514761337
Energy: 0.9284064137993484
Energy: 1.0099919716378567
Energy: 0.9284064137993484
Energy: 0.9998323003120096
Energy: 0.9546306041098805
Energy: 1.0107439083468515
Energy: 0.9546306041098805
Energy: 1.0309629284601547
Energy: 0.9429087979573917
Energy: 1.0833810503303658
Energy: 0.9429087979573917
Energy: 1.0735163420754676
Energy: 0.9437015003060163
Energy: 1.0338262901235302
Energy: 0.9437015003060163
Energy: 1.08641148592669
Energy: 0.928619040077466
Energy: 1.010545662609997
Energy: 0.928619040077466
Energy: 1.0579662063895507
Energy: 0.9383177965270691
Energy: 1.0130807653569913
Energy: 0.9383177965270691
Energy: 0.9930940337561297
Energy: 0.9210449047609015
Energy: 1.0788847612915673
Energy: 0.9210449047609015
Energy: 1.0419819578209968
Energy: 0.9205846095866044
Energy: 1.0592530185136775
Energy: 0.9205846095881306
Energy: 1.024094888385273
Energy: 0.9214989304979561
Energy: 1.0188526480410587
Energy: 0.9214989304979561
Energy: 1.0919375677859793
Energy: 0.9428225527389517
Energy: 1.0096895261743108
Energy: 0.9428225527389517

minimum gb energy = 0.9205846095866044 eV
minimum distance =  2.30580180370241 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0419766631415581
Energy: 0.8771608068880625
Energy: 1.1384334020512312
Energy: 0.8771608068880625
Energy: 0.9388939844611525
Energy: 0.8892890779409743
Energy: 0.980853541496617
Energy: 0.8892890779397231
Energy: 0.9902757485946925
Energy: 0.858017325024951
Energy: 0.999794733661627
Energy: 0.858017325024951
Energy: 0.98222240345373
Energy: 0.9254334337926627
Energy: 0.980730993041425
Energy: 0.9254334337926627
Energy: 0.9899257018095844
Energy: 0.8479744300378423
Energy: 0.9820725414470347
Energy: 0.8479744300365911
Energy: 0.9823882925095242
Energy: 0.8651797283569462
Energy: 0.9645547921689648
Energy: 0.8651797283569462
Energy: 0.9946009056382905
Energy: 0.8443628113991103
Energy: 0.9851702254980459
Energy: 0.8443628113991103
Energy: 0.9815915809202045
Energy: 0.869890339379432
Energy: 0.9645682368669372
Energy: 0.869890339379432
Energy: 0.9873440998563022
Energy: 0.8442898803530352
Energy: 0.9595713749785095
Energy: 0.8442898803530352
Energy: 0.9816099735333781
Energy: 0.9010374567107684
Energy: 0.9782905917413138
Energy: 0.9010374567107684
Energy: 0.9741735699695068
Energy: 0.8444832198924059
Energy: 0.9626474539234048
Energy: 0.8444832198924059
Energy: 0.9690216308346434
Energy: 0.8878074350469768
Energy: 0.9782395566034343
Energy: 0.8878074350457255
Energy: 0.9810684078972848
Energy: 0.8444238472973313
Energy: 0.9556779121648027
Energy: 0.8444238472985826
Energy: 0.9815270425286572
Energy: 0.8578588603172335
Energy: 0.9676879027411346
Energy: 0.8578588603172335
Energy: 0.9319970917927843
Energy: 0.8443978252252337
Energy: 0.9643673339644866
Energy: 0.8443978252239823
Energy: 0.9314319246821922
Energy: 0.857558983409465
Energy: 0.9958559630070227
Energy: 0.857558983409465
Energy: 0.9985649702253606
Energy: 0.8441819059353779
Energy: 0.9244577727595212
Energy: 0.8441819059341266
Energy: 0.9785736489471951
Energy: 0.8440891645849626
Energy: 0.9420713700848713
Energy: 0.844089164586214
Energy: 0.9320704818473926
Energy: 0.8472528080058388
Energy: 0.9838192932464712
Energy: 0.8472528080058388
Energy: 0.9358047532992902
Energy: 0.9143926615497242
Energy: 0.9369375187714406
Energy: 0.914392661548473
Energy: 0.98763234530807
Energy: 0.8566475660778938
Energy: 0.9421262092393795
Energy: 0.8566475660778938
Energy: 0.9321612749163222
Energy: 0.8771678586096788
Energy: 0.9771599881048677
Energy: 0.8771678586096788
Energy: 0.9678804485356023
Energy: 0.8761587889760387
Energy: 0.9854960639844961
Energy: 0.8761587889747874
Energy: 0.9926726752050054
Energy: 0.8794789164586996
Energy: 0.9633657834973713
Energy: 0.8794789164599509
Energy: 0.994659337811307
Energy: 0.8565175369742003
Energy: 0.9420995083305429
Energy: 0.856517536972949
Energy: 0.9784356792665216
Energy: 0.8577886852302162
Energy: 0.9767476675317518
Energy: 0.8577886852302162
Energy: 0.9321370799857628
Energy: 0.8473821483354634
Energy: 0.9861183262584118
Energy: 0.8473821483354634
Energy: 0.9667079808514197
Energy: 0.8552919353352905
Energy: 0.9956962098190775
Energy: 0.8552919353352905
Energy: 0.9935933588652119
Energy: 0.8440959646005741
Energy: 0.9243677969653066
Energy: 0.8440959646005741
Energy: 0.9817970777594243
Energy: 0.8438047360778567
Energy: 0.968051181255669
Energy: 0.8438047360778567
Energy: 0.932531488059795
Energy: 0.8442405783620096
Energy: 0.9585392054246302
Energy: 0.8442405783620096
Energy: 0.9313612887123972
Energy: 0.8573330664011042
Energy: 1.0030691371770177
Energy: 0.8573330664023555

minimum gb energy = 0.8438047360778567 eV
minimum distance =  2.31376987475248 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.9703393520815672
Energy: 0.8148775590053758
Energy: 1.0432229830338278
Energy: 0.8148775590053758
Energy: 0.9242803655318863
Energy: 0.8687694610365375
Energy: 0.9153411205461919
Energy: 0.8687694610365375
Energy: 0.9134268895664883
Energy: 0.8051008455482688
Energy: 0.9451007764280618
Energy: 0.8051008455482688
Energy: 0.9119693312036357
Energy: 0.817303300549898
Energy: 0.9155581126251884
Energy: 0.817303300547778
Energy: 0.9309134271648416
Energy: 0.7932597136430021
Energy: 0.9074067256071624
Energy: 0.793259713641942
Energy: 0.9119459704058489
Energy: 0.8528045743724326
Energy: 0.9132795875462298
Energy: 0.8528045743724326
Energy: 0.9175874327347543
Energy: 0.7830005483717729
Energy: 0.9399650362715569
Energy: 0.783000548373893
Energy: 0.9039011368418353
Energy: 0.8534100771445317
Energy: 0.9132820245006216
Energy: 0.8534100771445317
Energy: 0.9322755545508699
Energy: 0.7816800639806636
Energy: 0.8948465267699789
Energy: 0.7816800639827836
Energy: 0.9036008917385379
Energy: 0.7983825683524733
Energy: 0.9153800385765019
Energy: 0.7983825683545933
Energy: 0.9065197001036956
Energy: 0.7817369717103503
Energy: 0.9112791658114622
Energy: 0.7817369717124705
Energy: 0.913171560046103
Energy: 0.8178122745319967
Energy: 0.9148494970867636
Energy: 0.8178122745319967
Energy: 0.9133107568416984
Energy: 0.7818732397198075
Energy: 0.8944895567281801
Energy: 0.7818732397208678
Energy: 0.9132157601791873
Energy: 0.8095775510742818
Energy: 0.9074737622493771
Energy: 0.8095775510732217
Energy: 0.9077454565895665
Energy: 0.7818968617196667
Energy: 0.8980232666022901
Energy: 0.7818968617207267
Energy: 0.9127325248615763
Energy: 0.8094147289745355
Energy: 0.914909806974686
Energy: 0.8094147289745355
Energy: 0.9103121941045997
Energy: 0.7818075731617394
Energy: 0.905974421479317
Energy: 0.7818075731617394
Energy: 0.9206948684492653
Energy: 0.7904322519530893
Energy: 0.8776750970928289
Energy: 0.7904322519530893
Energy: 0.8717354633562567
Energy: 0.7816396373481107
Energy: 0.8985179516164835
Energy: 0.7816396373481107
Energy: 0.9063208455008098
Energy: 0.7980897362378946
Energy: 0.9091548092298387
Energy: 0.7980897362378946
Energy: 0.9216294095500058
Energy: 0.7834161966135682
Energy: 0.8778206241822705
Energy: 0.7834161966125082
Energy: 0.9228864127069096
Energy: 0.8460404626131565
Energy: 0.9056037006203753
Energy: 0.8460404626131565
Energy: 0.8809249008278438
Energy: 0.7930863208158059
Energy: 0.9087242899683605
Energy: 0.7930863208136859
Energy: 0.9150331749260362
Energy: 0.8585067496785279
Energy: 0.9214925760144229
Energy: 0.8585067496774678
Energy: 0.9114982253659624
Energy: 0.804769419987995
Energy: 0.8960187147431705
Energy: 0.804769419989055
Energy: 0.8794085237348447
Energy: 0.8616407641861833
Energy: 0.9235945590973068
Energy: 0.8616407641872434
Energy: 0.9068504778574222
Energy: 0.8148066078693382
Energy: 0.9102820331762016
Energy: 0.8148066078693382
Energy: 0.924296324423007
Energy: 0.8568128918602275
Energy: 0.9210282257236314
Energy: 0.8568128918602275
Energy: 0.9180443339722125
Energy: 0.8019168824225668
Energy: 0.8960996951556507
Energy: 0.8019168824236268
Energy: 0.9227390513392022
Energy: 0.8041267349078035
Energy: 0.9234137863400197
Energy: 0.8041267349067435
Energy: 0.881178462129398
Energy: 0.7902445693164118
Energy: 0.9099884702611984
Energy: 0.7902445693142917
Energy: 0.9148932075817597
Energy: 0.8033990590996841
Energy: 0.9094087268331059
Energy: 0.8033990591007443
Energy: 0.9175216619330367
Energy: 0.7834208441260475
Energy: 0.8781440276185815
Energy: 0.7834208441281677
Energy: 0.920973615437994
Energy: 0.7883577768459927
Energy: 0.9054912763036316
Energy: 0.7883577768449328
Energy: 0.8718731847676288
Energy: 0.7819223812858943
Energy: 0.9093951341698708
Energy: 0.7819223812848343
Energy: 0.9075898086492078
Energy: 0.7976421896177134
Energy: 0.9153700035688519
Energy: 0.7976421896177134
Energy: 0.902696333673507
Energy: 0.782076643153606
Energy: 0.905611172048618
Energy: 0.782076643154666

minimum gb energy = 0.7816396373481107 eV
minimum distance =  2.31700218124451 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9523101212097377
Energy: 0.7594104471316883
Energy: 0.9203627823435523
Energy: 0.7594104471316883
Energy: 0.8311846867452324
Energy: 0.7135896025823544
Energy: 0.8365554149078887
Energy: 0.7135896025823544
Energy: 0.8280365353855426
Energy: 0.7575856452503589
Energy: 0.9158231786855281
Energy: 0.7575856452503589
Energy: 0.823353143237651
Energy: 0.7589036562565932
Energy: 0.8366135244608971
Energy: 0.7589036562575128
Energy: 0.8989085790981195
Energy: 0.7248468452297173
Energy: 0.828173965976052
Energy: 0.7248468452297173
Energy: 0.8231040500772213
Energy: 0.7620376630457938
Energy: 0.8305232488969129
Energy: 0.7620376630457938
Energy: 0.8416707823216667
Energy: 0.7262028643404448
Energy: 0.8785010832138875
Energy: 0.7262028643404448
Energy: 0.8327901016029606
Energy: 0.7697309100585303
Energy: 0.830475931295557
Energy: 0.7697309100585303
Energy: 0.8812232355292283
Energy: 0.7081752756848309
Energy: 0.8571959574355211
Energy: 0.7081752756848309
Energy: 0.8329092911233167
Energy: 0.7821952799516714
Energy: 0.8369462589423089
Energy: 0.7821952799516714
Energy: 0.8179175560077596
Energy: 0.7081635515475841
Energy: 0.8682198486910222
Energy: 0.7081635515485035
Energy: 0.8529358015134505
Energy: 0.7213579744833589
Energy: 0.8365128813128077
Energy: 0.7213579744824397
Energy: 0.8407445138777002
Energy: 0.7084359198371531
Energy: 0.8344739574331334
Energy: 0.7084359198371531
Energy: 0.8526090584334244
Energy: 0.7523290873974653
Energy: 0.8514169429911149
Energy: 0.7523290873974653
Energy: 0.8139337694517215
Energy: 0.7083750597299375
Energy: 0.8446500832632687
Energy: 0.708375059730857
Energy: 0.8465700469003822
Energy: 0.7514557252432573
Energy: 0.8509124047581208
Energy: 0.7514557252423378
Energy: 0.8178171973566118
Energy: 0.7082181083541976
Energy: 0.833893516952534
Energy: 0.7082181083541976
Energy: 0.8524515499889768
Energy: 0.75120141163616
Energy: 0.8509916630384334
Energy: 0.75120141163616
Energy: 0.8294506792208314
Energy: 0.7081377000131318
Energy: 0.8399402837924891
Energy: 0.7081377000131318
Energy: 0.8181317180703094
Energy: 0.7206677778123354
Energy: 0.8499583611411903
Energy: 0.7206677778132546
Energy: 0.8168206484151834
Energy: 0.7082518618475282
Energy: 0.8081284297222958
Energy: 0.7082518618475282
Energy: 0.8334853400688244
Energy: 0.7224857708471738
Energy: 0.8369911476454199
Energy: 0.7224857708471738
Energy: 0.8133696608892148
Energy: 0.7076961010000306
Energy: 0.8546492870269319
Energy: 0.7076961009991113
Energy: 0.8335576766318324
Energy: 0.7690797892839122
Energy: 0.8259146731511071
Energy: 0.7690797892829929
Energy: 0.8443208787178182
Energy: 0.7253270732889112
Energy: 0.8135376894796185
Energy: 0.7253270732889112
Energy: 0.823151775409594
Energy: 0.761819811164148
Energy: 0.8306065702224081
Energy: 0.7618198111650674
Energy: 0.8317431447645566
Energy: 0.7247091085009226
Energy: 0.8289183759079222
Energy: 0.7247091085009226
Energy: 0.8425701104997219
Energy: 0.765096469134951
Energy: 0.8175910026337122
Energy: 0.7650964691358706
Energy: 0.8264791833831472
Energy: 0.7576048559769831
Energy: 0.8307508819103594
Energy: 0.7576048559769831
Energy: 0.8144029276138942
Energy: 0.761464115290415
Energy: 0.8364697057426994
Energy: 0.761464115290415
Energy: 0.8663695792283276
Energy: 0.7593309728554825
Energy: 0.8305294629783218
Energy: 0.7593309728554825
Energy: 0.8642130637789887
Energy: 0.7270644399475952
Energy: 0.8172118986577379
Energy: 0.7270644399466758
Energy: 0.826413504276392
Energy: 0.7576749303989463
Energy: 0.8308382374484445
Energy: 0.7576749303998657
Energy: 0.8231497087112418
Energy: 0.7082677806150327
Energy: 0.8368374932894802
Energy: 0.7082677806150327
Energy: 0.831863356773748
Energy: 0.7247242260310524
Energy: 0.8302291010611099
Energy: 0.7247242260310524
Energy: 0.8425140738177725
Energy: 0.7066352377729156
Energy: 0.8256702583009233
Energy: 0.7066352377738351
Energy: 0.8415859701897341
Energy: 0.7252605599842139
Energy: 0.8134985639982706
Energy: 0.7252605599842139
Energy: 0.8337022475591652
Energy: 0.707285346441476
Energy: 0.8306222064571119
Energy: 0.707285346441476
Energy: 0.813521075755136
Energy: 0.7076131174096618
Energy: 0.8544896966007708
Energy: 0.7076131174096618
Energy: 0.8361351362948574
Energy: 0.7071576382488908
Energy: 0.8498896510427046
Energy: 0.7071576382488908
Energy: 0.8150967134395378
Energy: 0.7075331080354376
Energy: 0.8081818299885031
Energy: 0.7075331080363568
Energy: 0.853274362379906
Energy: 0.7224903127615456
Energy: 0.8365079282120718
Energy: 0.7224903127606264
Energy: 0.8294611543162879
Energy: 0.7061346452840507
Energy: 0.8369563792066452
Energy: 0.7061346452840507

minimum gb energy = 0.7061346452840507 eV
minimum distance =  2.32160490012914 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01495135416761033
Energy: 0.015218774779365946
Energy: 1.4711213700497157
Energy: 0.015218774779365946
Energy: 0.01590871111075131
Energy: 0.6808579331670549
Energy: 0.01590871111075131
Energy: 0.6808579331670549
Energy: 1.4711213700497157
Energy: 0.015218774779365946
Energy: 0.01495135416761033
Energy: 0.015218774779365946
Energy: 0.01590871111075131
Energy: 0.6808579331670549
Energy: 0.01590871111075131
Energy: 0.6808579331670549
Energy: 0.01495135416761033
Energy: 0.015218774778659178
Energy: 1.4711213700497157
Energy: 0.015218774778659178
Energy: 0.01590871111075131
Energy: 0.6808579331670549
Energy: 0.01590871111075131
Energy: 0.6808579331670549

minimum gb energy = 0.01495135416761033 eV
minimum distance =  2.45743958701724 Angstroms
sigma value = 1