Model name: model_name=EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.639085099101067
cohesive_energy=3.2833744382854766
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.737187697280479e-19, 4.5501015317283e-19, 4.3304591369732395e-19, 4.0780842735855595e-19, 3.7909101337073997e-19, 3.46437051393186e-19, 3.0905186181543e-19, 2.65805910110502e-19, 2.15071384818258e-19, 1.5442339160313898e-19, 8.140178824363799e-20, -7.5836627705439e-21, -1.21445789945517e-19, -2.80119756158658e-19, -5.28636578211666e-19, -9.752625410587739e-19, -1.88686740009546e-18, -3.8359312971228e-18, -7.8321603664773e-18, -1.6872361914990598e-17, -4.06621214472762e-17, -1.182105146684808e-16, -4.6718669559123e-16]
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: 0.012495500479155814
Energy: 0.012693997044853491
Energy: 0.7172697321535577
Energy: 0.10670340199674097
Energy: 0.01269399704423455
Energy: 1.0137772173586133
Energy: 0.10670340199852903
Energy: 1.0137772173580288
Energy: 0.7172697321517698
Energy: 0.10670340199674097
Energy: 0.012495500479155814
Energy: 0.012693997044853491
Energy: 0.10670340199612204
Energy: 1.0137772173580288
Energy: 0.012693997044853491
Energy: 1.0137772173598167

minimum gb energy = 0.012495500479155814 eV
minimum distance =  2.55333650495977 Angstroms
sigma value = 1


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

Energy: 1.2987638161901267
Energy: 0.806659102862231
Energy: 0.8463264246028656
Energy: 0.8452851450232344
Energy: 0.8491271610252796
Energy: 0.8918513203299219
Energy: 0.8261768550024008
Energy: 0.8918513203306725
Energy: 0.8445831289721326
Energy: 0.8455462463656428
Energy: 1.4156506490907823
Energy: 0.8455462463656428
Energy: 0.829405361640465
Energy: 0.826282854938102
Energy: 0.8264060873667662
Energy: 0.8262828549358501
Energy: 1.20302519814234
Energy: 0.8260814130943669
Energy: 0.8259916946745967
Energy: 0.8260814130951174
Energy: 0.8845933228790274
Energy: 0.9340173842696591
Energy: 0.8266003722626987
Energy: 0.9340173842689085
Energy: 0.8851741951623933
Energy: 0.9324016559191157
Energy: 1.2021989349206919
Energy: 0.9324016559191157
Energy: 0.8822806984328125
Energy: 0.8303164905176346
Energy: 0.9079770942606776
Energy: 0.8303164905191357
Energy: 1.0284388458270448
Energy: 1.0088482795616234
Energy: 0.9061780832473475
Energy: 1.0088482795608724
Energy: 0.9071865781117303
Energy: 0.9760385360782191
Energy: 0.9056787815244706
Energy: 0.9760385360789698
Energy: 0.9043234523979903
Energy: 1.0105639661234795
Energy: 1.0287088700426075
Energy: 1.0105639661212276
Energy: 0.8824705401093368
Energy: 1.0090511812457452
Energy: 0.9074397960795297
Energy: 1.0090511812449945
Energy: 0.900585622787318
Energy: 0.9324683053482811
Energy: 0.9042871769845053
Energy: 0.9324683053460293
Energy: 0.8849118318391312
Energy: 0.9332146432288736
Energy: 0.8796879950215003
Energy: 0.9332146432311255
Energy: 0.8512159531625716
Energy: 0.8259235566247001
Energy: 0.826538290050529
Energy: 0.8259235566254507
Energy: 0.8554899505149107
Energy: 0.8263887981496709
Energy: 0.8264729371652374
Energy: 0.8263887981489202
Energy: 0.8447785643560093
Energy: 0.8442318250280613
Energy: 0.8048571068003485
Energy: 0.8442318250273106
Energy: 0.826518825253682
Energy: 0.8305341795657116
Energy: 0.8496337371291451
Energy: 0.8305341795657116
Energy: 0.8257672065428551
Energy: 0.8463150355373378
Energy: 0.8456294429381622
Energy: 0.8463150355395898
Energy: 0.8960750937913978
Energy: 0.830361049638379
Energy: 0.8464776885567051
Energy: 0.8303610496368776
Energy: 0.8269213401942698
Energy: 0.8264969165305949
Energy: 0.9042114251331059
Energy: 0.8264969165313454
Energy: 0.8269989483491791
Energy: 0.8272483143321526
Energy: 0.8846260739121684
Energy: 0.8272483143329032
Energy: 0.8827784227635153
Energy: 0.9325694622353655
Energy: 0.8840268529625213
Energy: 0.9325694622361163
Energy: 0.9083412333912412
Energy: 0.9323799776046767
Energy: 0.8846039302620438
Energy: 0.9323799776046767
Energy: 0.9060689605777476
Energy: 1.0091051512811007
Energy: 1.028482300053862
Energy: 1.0091051512811007
Energy: 0.9071155205933895
Energy: 1.008610817504755
Energy: 0.9084583149180665
Energy: 1.0086108175010018
Energy: 1.0293163058076396
Energy: 1.008708685877894
Energy: 0.9045912150325355
Energy: 1.0087086858763925
Energy: 0.9086859302905635
Energy: 1.0089732007957346
Energy: 0.9066479702990544
Energy: 1.0089732007942673
Energy: 0.9042132401550395
Energy: 0.9329981313549978
Energy: 0.9002492103830885
Energy: 0.9329981313572497
Energy: 0.8799206517005336
Energy: 0.9326940137036658
Energy: 0.8849224683626299
Energy: 0.9326940137014137
Energy: 0.8257870203935166
Energy: 0.8257404442918427
Energy: 0.8800785385418043
Energy: 0.8257404442925934
Energy: 0.8263117593053321
Energy: 0.826251041731319
Energy: 0.8555125351847196
Energy: 0.8262510417320695
Energy: 0.803663810048861
Energy: 0.8438778937483893
Energy: 0.844514308949801
Energy: 0.8438778937506413

minimum gb energy = 0.803663810048861 eV
minimum distance =  2.26891245234399 Angstroms
sigma value = 1


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

Energy: 1.4824389276146446
Energy: 0.8475125354175258
Energy: 0.8926781575540591
Energy: 0.8915494616454238
Energy: 0.9273839276901279
Energy: 0.9399573453949474
Energy: 0.872126502226544
Energy: 0.93995734539238
Energy: 0.8911550932898974
Energy: 0.8917801129000235
Energy: 1.357033879873185
Energy: 0.8917801128931765
Energy: 0.8764698601161997
Energy: 0.8723223407468356
Energy: 0.8719348955272065
Energy: 0.8723223407485473
Energy: 0.9044891690160807
Energy: 0.8726704713451939
Energy: 0.872682959387323
Energy: 0.8726704713537526
Energy: 0.940407470660247
Energy: 0.9330808032425114
Energy: 0.8723998240335433
Energy: 0.9330808032416555
Energy: 0.9421910502592927
Energy: 0.9959157427633715
Energy: 1.1301755073705826
Energy: 0.9959157427650832
Energy: 0.9407407619323982
Energy: 0.996863213808068
Energy: 0.9607733150966017
Energy: 0.996863213814059
Energy: 0.9614069786683597
Energy: 1.0713136449839744
Energy: 0.9583448733288704
Energy: 1.071313644980551
Energy: 0.9603527133262774
Energy: 1.0426745961599517
Energy: 0.9408361388232961
Energy: 1.0426745961608075
Energy: 0.9563255416981501
Energy: 0.9961043086816618
Energy: 0.9671608751875246
Energy: 0.996104308680806
Energy: 0.9329500329249226
Energy: 0.996660327079264
Energy: 0.9404481133605352
Energy: 0.9966603270818316
Energy: 0.8734009288914298
Energy: 0.8723710748191333
Energy: 0.9555292797031631
Energy: 0.8723710748199892
Energy: 0.8722743628505067
Energy: 0.8725549891211056
Energy: 0.9029113685047848
Energy: 0.8725549891211056
Energy: 0.8449442291978356
Energy: 0.8907516210268512
Energy: 0.8914145921155725
Energy: 0.8907516210234278
Energy: 0.9006147000394886
Energy: 0.8764036637148178
Energy: 0.8914934232763035
Energy: 0.8764036637088267
Energy: 0.892549762990011
Energy: 0.8927116999151606
Energy: 0.9053358660178875
Energy: 0.8927116999194399
Energy: 0.8928225507696379
Energy: 0.8781737852769039
Energy: 0.9487050493204908
Energy: 0.8781737852837508
Energy: 0.8718988670284817
Energy: 0.872407251218894
Energy: 0.8731458658289393
Energy: 0.8724072512154704
Energy: 0.9406021749242491
Energy: 0.8720267318239757
Energy: 0.872622893681046
Energy: 0.8720267318239757
Energy: 0.94028664107098
Energy: 0.996101502831073
Energy: 0.9386370897118177
Energy: 0.9961015028302173
Energy: 0.9410630995105678
Energy: 0.996022088800875
Energy: 0.961637346993899
Energy: 0.9960220888025866
Energy: 0.9602204229258094
Energy: 1.072145736638039
Energy: 0.9034818107849875
Energy: 1.072145736638039
Energy: 0.960228142737159
Energy: 1.0717828353241585
Energy: 0.9605747672328647
Energy: 1.07178283532587
Energy: 0.9557971696403992
Energy: 0.996252949847535
Energy: 0.9670800254259103
Energy: 0.9962529498483909
Energy: 0.9339060218816676
Energy: 0.9963773725670904
Energy: 0.9404018033115332
Energy: 0.9963773725653787
Energy: 0.8724316910370729
Energy: 0.8721750725823347
Energy: 0.9334142610617451
Energy: 0.8721750725831905
Energy: 0.8723510680873466
Energy: 0.8726543845188615
Energy: 0.9030107674938626
Energy: 0.8726543845180056
Energy: 0.8431241254089018
Energy: 0.8905639712780286
Energy: 0.8911907955419135
Energy: 0.8905639712848753

minimum gb energy = 0.8431241254089018 eV
minimum distance =  2.25959412406608 Angstroms
sigma value = 25


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

Energy: 1.4123254328441706
Energy: 0.8920185636938652
Energy: 0.9423371450424342
Energy: 0.9416147481164548
Energy: 0.9808433553364839
Energy: 0.9922004507883452
Energy: 0.9261568727868694
Energy: 0.9922004507883452
Energy: 0.941939737396922
Energy: 0.9415127605761745
Energy: 0.9256333236063897
Energy: 0.9415127605771695
Energy: 0.9435150849985733
Energy: 1.0471005159251867
Energy: 0.9259349728300016
Energy: 1.0471005159261817
Energy: 0.9603135584586169
Energy: 0.9256052870524075
Energy: 0.92716303949359
Energy: 0.9256052870534024
Energy: 1.0064949594100168
Energy: 0.9955033271957281
Energy: 0.9255822107839469
Energy: 0.995503327196723
Energy: 1.0079952542424129
Energy: 1.0728949361045894
Energy: 1.0054240453753993
Energy: 1.0728949361045894
Energy: 1.006352005149891
Energy: 1.0742219939245023
Energy: 1.0225228728324849
Energy: 1.0742219939225126
Energy: 0.9320643805019561
Energy: 1.0728675883071475
Energy: 1.0201411144936146
Energy: 1.0728675883071475
Energy: 1.0062922965148948
Energy: 1.073238433598447
Energy: 0.9263812874970865
Energy: 1.073238433598447
Energy: 0.8860817858406554
Energy: 0.9257295121028256
Energy: 0.9255439962883364
Energy: 0.9257295121008359
Energy: 0.9547106664865795
Energy: 0.9260488793286619
Energy: 0.925950035503547
Energy: 0.9260488793306517
Energy: 0.9411177339155287
Energy: 0.9413294281970783
Energy: 0.8862767290264061
Energy: 0.9413294281970783
Energy: 0.941331117575836
Energy: 0.9323014450526415
Energy: 0.9646150995204827
Energy: 0.9323014450516465
Energy: 0.9251650492599994
Energy: 0.9427559130677811
Energy: 0.9438631242773184
Energy: 0.9427559130657911
Energy: 1.0093186652167032
Energy: 0.9325087314013375
Energy: 0.9422789637307106
Energy: 0.9325087314013375
Energy: 0.9257037981354715
Energy: 0.9258328053912888
Energy: 0.9607487561139504
Energy: 0.9258328053912888
Energy: 0.9255359243870779
Energy: 0.92597461319903
Energy: 1.006641071456191
Energy: 0.9259746132000023
Energy: 1.0512536268436534
Energy: 1.0729204390632154
Energy: 1.0077943336184805
Energy: 1.0729204390612253
Energy: 1.02393660791947
Energy: 1.0732228087354432
Energy: 1.0069039088394938
Energy: 1.0732228087364382
Energy: 1.019971571922359
Energy: 1.0726202121481494
Energy: 1.053113805144405
Energy: 1.0726202121481494
Energy: 1.0203826370462468
Energy: 1.0727712408633618
Energy: 1.0062801504918766
Energy: 1.0727712408623669
Energy: 0.9264615991995319
Energy: 0.9259736279717327
Energy: 0.8867329544897682
Energy: 0.9259736279717327
Energy: 0.9256897153896375
Energy: 0.9258195958256925
Energy: 0.9548773437413537
Energy: 0.9258195958266875
Energy: 0.8863420135691926
Energy: 0.9415353102207541
Energy: 0.941698730926682
Energy: 0.9415353102207541

minimum gb energy = 0.8860817858406554 eV
minimum distance =  2.25440159789571 Angstroms
sigma value = 9


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

Energy: 1.3099011341322064
Energy: 0.9405570415110701
Energy: 0.9970972818487375
Energy: 0.995987905975
Energy: 1.0673132588979128
Energy: 1.0474990276174245
Energy: 0.9956158732487804
Energy: 1.0474990276150509
Energy: 0.9966262133112405
Energy: 0.9958408841321752
Energy: 1.0149219335582904
Energy: 0.9958408841286146
Energy: 0.9970986362287323
Energy: 1.1156389969106133
Energy: 0.9923093686370139
Energy: 1.1156389969082396
Energy: 1.0185402779912613
Energy: 0.9921220987597541
Energy: 0.9919728586195199
Energy: 0.9921220987585672
Energy: 1.0899586399724548
Energy: 0.9913879327617259
Energy: 0.9924218819518794
Energy: 0.9913879327593793
Energy: 1.0497723646905426
Energy: 1.1359361600965963
Energy: 1.0219271113337518
Energy: 1.1359361600977833
Energy: 1.0216156422517968
Energy: 1.1376746784581728
Energy: 1.0899779754329322
Energy: 1.1376746784605467
Energy: 0.9914488754140806
Energy: 0.9925932145836805
Energy: 0.9298372602171785
Energy: 0.9925932145824936
Energy: 0.9924502736629551
Energy: 0.9923039985090412
Energy: 1.0144792091441905
Energy: 0.992303998510228
Energy: 0.929554531011582
Energy: 0.9951548426024285
Energy: 0.9955758309499138
Energy: 0.9951548425988679
Energy: 1.0672019430169932
Energy: 0.9983513098585345
Energy: 0.9958477844110795
Energy: 0.9983513098585345
Energy: 0.9954025807776052
Energy: 0.9956357971732671
Energy: 0.994474261317411
Energy: 0.9956357971744539
Energy: 0.9957137122228377
Energy: 0.9973821086209487
Energy: 1.0830712783575864
Energy: 0.9973821086209487
Energy: 1.0183420128394198
Energy: 0.9918876972384175
Energy: 0.9917820013233665
Energy: 0.9918876972348569
Energy: 1.0899428818374608
Energy: 0.9921786139058529
Energy: 0.9923543061304928
Energy: 0.9921786139058529
Energy: 1.0512284989408338
Energy: 1.1364504059210316
Energy: 1.0216127205064602
Energy: 1.1364504059210316
Energy: 1.0517682159660007
Energy: 1.1359933364995323
Energy: 1.0905432780294058
Energy: 1.1359933364983454
Energy: 0.9903817655712422
Energy: 0.9925657677733274
Energy: 0.9304871682531617
Energy: 0.9925657677733274
Energy: 0.9920746790847164
Energy: 0.9920858563525885
Energy: 0.9297706185826411
Energy: 0.9920858563525885
Energy: 0.9296200629801957
Energy: 0.9962367872163964
Energy: 0.997541887964031
Energy: 0.9962367872187701

minimum gb energy = 0.929554531011582 eV
minimum distance =  2.25812382746547 Angstroms
sigma value = 25


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

Energy: 1.1751638333185053
Energy: 0.9923304738334436
Energy: 1.057427454699802
Energy: 1.056728106920454
Energy: 1.0532030352283743
Energy: 1.0696337254302326
Energy: 1.0567523202924078
Energy: 1.0696337254317003
Energy: 1.0571787440895277
Energy: 1.0564336990317063
Energy: 1.0551130321786868
Energy: 1.0564336990302385
Energy: 1.0577053772629077
Energy: 1.0693847562961614
Energy: 1.0110393384336485
Energy: 1.0693847562946934
Energy: 1.07469178788051
Energy: 1.081479787584671
Energy: 1.0767411873215411
Energy: 1.0814797875861386
Energy: 0.9843719025544264
Energy: 1.08174828191902
Energy: 1.010833092749835
Energy: 1.08174828191902
Energy: 0.9791929880337017
Energy: 1.0769863937753335
Energy: 1.0762282123113929
Energy: 1.0769863937753335
Energy: 0.9794069676675974
Energy: 1.14351024202206
Energy: 1.0125098930584724
Energy: 1.14351024202206
Energy: 1.0559452390189974
Energy: 1.0557857857111888
Energy: 1.1219620030983823
Energy: 1.0557857857111888
Energy: 1.056718071513142
Energy: 0.9845577135090646
Energy: 1.1223363188816424
Energy: 0.9845577135090646
Energy: 1.1449214990719132
Energy: 1.0562515581629592
Energy: 1.0602706367345247
Energy: 1.0562515581629592
Energy: 1.0551714376585903
Energy: 1.0596431078994057
Energy: 1.056401959197415
Energy: 1.059643107897938
Energy: 1.0115448918367356
Energy: 1.1795163702385865
Energy: 1.0745377654722297
Energy: 1.1795163702371187
Energy: 1.077040679956547
Energy: 1.0782484545500988
Energy: 1.0568924941815434
Energy: 1.0782484545500988
Energy: 1.0788573044563934
Energy: 1.0779913512778196
Energy: 1.1592361341183475
Energy: 1.0779913512763517
Energy: 1.0113419331384517
Energy: 1.0777306547421175
Energy: 1.1600761764332903
Energy: 1.0777306547421175
Energy: 1.1261831382293466
Energy: 1.06241309113321
Energy: 1.0618419615510024
Energy: 1.0624130911346776

minimum gb energy = 0.9791929880337017 eV
minimum distance =  2.27342339210526 Angstroms
sigma value = 17


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

Energy: 1.5437069298527653
Energy: 1.0957645846624189
Energy: 1.1380265552656976
Energy: 1.138870522048432
Energy: 1.0898294565271276
Energy: 1.0593794100110794
Energy: 1.1573536165362501
Energy: 1.0593794100102483
Energy: 1.0597654824961367
Energy: 1.0590907732508106
Energy: 1.1436303926583409
Energy: 1.0590907732508106
Energy: 1.0599715580825475
Energy: 1.0593029134261933
Energy: 1.093857006511237
Energy: 1.059302913425362
Energy: 1.1178420600911882
Energy: 1.1885552158081008
Energy: 1.1273512427722634
Energy: 1.1885552158081008
Energy: 1.0578890905801273
Energy: 1.1902248784433118
Energy: 1.1170883701556784
Energy: 1.1902248784433118
Energy: 1.090605993080287
Energy: 1.058243546173447
Energy: 1.059648541691332
Energy: 1.0582435461717845
Energy: 1.1992984861446778
Energy: 1.0580463780266487
Energy: 1.0591101257066982
Energy: 1.0580463780233236
Energy: 1.141231183558218
Energy: 1.1395372088888887
Energy: 1.1406798202612256
Energy: 1.1395372088888887
Energy: 1.1469811015519087
Energy: 1.1474530887761447
Energy: 1.159502319791205
Energy: 1.147453088776976
Energy: 1.1166177594225546
Energy: 1.0782396530755334
Energy: 1.048544369920738
Energy: 1.0782396530755334
Energy: 1.1512099494016474
Energy: 1.0777494816981203
Energy: 1.076608397042039
Energy: 1.077749481698952
Energy: 1.0896200044876794
Energy: 1.0773270438764497
Energy: 1.0764795703184342
Energy: 1.0773270438764497
Energy: 1.0893660106102938
Energy: 1.0771916960683652
Energy: 1.0459576472935477
Energy: 1.0771916960683652
Energy: 1.1507576715622383
Energy: 1.1416001447235102
Energy: 1.1818304300810158
Energy: 1.1416001447243418
Energy: 1.1386065719381697
Energy: 1.1393036694843597
Energy: 1.182418643848323
Energy: 1.1393036694851908
Energy: 1.1388384570117074
Energy: 1.0585105481064674
Energy: 1.0577939503469271
Energy: 1.058510548105636
Energy: 1.13866847399017
Energy: 1.0589212840746522
Energy: 1.057039463932712
Energy: 1.058921284073821
Energy: 1.0601760229946353
Energy: 1.1888566729034769
Energy: 1.1203528245394159
Energy: 1.188856672901814
Energy: 1.1260896075934756
Energy: 1.1894460711963937
Energy: 1.118098219825886
Energy: 1.1894460711988875
Energy: 1.0584416987994711
Energy: 1.0583574411023808
Energy: 1.1819792618481864
Energy: 1.0583574411023808
Energy: 1.0591668541823411
Energy: 1.0599291845373335
Energy: 1.0901764164502852
Energy: 1.0599291845356709
Energy: 1.1565300982477824
Energy: 1.1491754552153841
Energy: 1.1379251548633533
Energy: 1.149175455214553
Energy: 1.1414204665445304
Energy: 1.1390377993775602
Energy: 1.1375088045706674
Energy: 1.139037799376729
Energy: 1.045566603843382
Energy: 1.0768618798831486
Energy: 1.1506383222184584
Energy: 1.0768618798823175
Energy: 1.0765618442060272
Energy: 1.077663206542596
Energy: 1.1179577497819775
Energy: 1.0776632065442584
Energy: 1.044881205109522
Energy: 1.1356730576206027
Energy: 1.0908692533248683
Energy: 1.1356730576206027
Energy: 1.077499449963994
Energy: 1.0779865056400546
Energy: 1.0894103543628568
Energy: 1.077986505641717
Energy: 1.0460010867389622
Energy: 1.059428035805109
Energy: 1.0955010516504806
Energy: 1.0594280358042778
Energy: 1.1817963039220467
Energy: 1.1380240115127995
Energy: 1.1372540832814324
Energy: 1.1380240115127995

minimum gb energy = 1.044881205109522 eV
minimum distance =  2.22875436110827 Angstroms
sigma value = 53


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

Energy: 1.4008005543872135
Energy: 1.0132854568877943
Energy: 1.103164799987309
Energy: 1.102390673884183
Energy: 1.1878684277961542
Energy: 1.1060664327762484
Energy: 1.1031404070697302
Energy: 1.1060664327724206
Energy: 1.102054342072347
Energy: 1.1020389562971236
Energy: 1.098252149623759
Energy: 1.1020389562971236
Energy: 1.1017392479249786
Energy: 1.0754671123923498
Energy: 1.1048755900439056
Energy: 1.0754671123923498
Energy: 1.1014202890377174
Energy: 1.0740902364496554
Energy: 0.9965406981121537
Energy: 1.0740902364496554
Energy: 1.1049247679722207
Energy: 1.0753501018053064
Energy: 0.9964769104191736
Energy: 1.0753501018053064
Energy: 1.1884087569194801
Energy: 1.1023285761549062
Energy: 1.1030429684717598
Energy: 1.102328576147251
Energy: 1.1889732392963124
Energy: 1.1048078306749138
Energy: 1.1046602877384943
Energy: 1.1048078306787417
Energy: 1.1020536522713427
Energy: 1.1019302679829124
Energy: 1.0988384952091477
Energy: 1.1019302679809986
Energy: 1.1045867142585133
Energy: 1.105479957850627
Energy: 1.102227801846621
Energy: 1.105479957850627
Energy: 1.1025121503731254
Energy: 1.0765983102700947
Energy: 0.9965115906378861
Energy: 1.0765983102720085
Energy: 1.103409577357539
Energy: 1.0739222267403832
Energy: 0.996444420371844
Energy: 1.0739222267403832
Energy: 1.1886575932178889
Energy: 1.1050774709328361
Energy: 1.1037227316907867
Energy: 1.1050774709309226

minimum gb energy = 0.996444420371844 eV
minimum distance =  2.29134944863674 Angstroms
sigma value = 9


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

Energy: 1.3671469982856157
Energy: 1.1529924046633686
Energy: 1.204981034556515
Energy: 1.2031860367625584
Energy: 1.0799362779315365
Energy: 1.0709153753483833
Energy: 1.2513144046408569
Energy: 1.0709153753483833
Energy: 1.0723427311548288
Energy: 1.0720223867472176
Energy: 1.2880655265463854
Energy: 1.0720223867450926
Energy: 1.0741640487215482
Energy: 1.0717882112873824
Energy: 1.2060614570937784
Energy: 1.0717882112859658
Energy: 1.0734755396272018
Energy: 1.0708013494734645
Energy: 1.2432419708471265
Energy: 1.0708013494734645
Energy: 1.0719897095221047
Energy: 1.070419267298981
Energy: 1.2428656419352568
Energy: 1.070419267298981
Energy: 1.2071589318071898
Energy: 1.1911051514110855
Energy: 1.208050107631339
Energy: 1.1911051514117936
Energy: 1.20571279744324
Energy: 1.1902601726633348
Energy: 1.1905132037673796
Energy: 1.1902601726633348
Energy: 1.102444470562237
Energy: 1.2064578643316888
Energy: 1.143596029866033
Energy: 1.2064578643323969
Energy: 1.076236356513197
Energy: 1.1444488858908684
Energy: 1.1934981220017606
Energy: 1.144448885888035
Energy: 1.098978180886007
Energy: 1.098993670760487
Energy: 1.1995592444362744
Energy: 1.0989936707611956
Energy: 1.1004276259774164
Energy: 1.154803416474711
Energy: 1.243133611620337
Energy: 1.154803416474711
Energy: 1.2051429524255077
Energy: 1.0996780595437519
Energy: 1.1198681763539993
Energy: 1.0996780595430438
Energy: 1.2054727537432548
Energy: 1.1004241455804464
Energy: 1.1018748710028887
Energy: 1.1004241455790298
Energy: 1.1911350302916965
Energy: 1.1206729692557609
Energy: 1.1176786959455844
Energy: 1.1206729692543445
Energy: 1.2097745029161273
Energy: 1.2009704878887009
Energy: 1.1183176393599832
Energy: 1.2009704878901175
Energy: 1.191316175919728
Energy: 1.1645757790344022
Energy: 1.1016085246092024
Energy: 1.1645757790344022
Energy: 1.2029517184014218
Energy: 1.2010111565088584
Energy: 1.3667080710094763
Energy: 1.20101115650815
Energy: 1.2508621984423791
Energy: 1.1899453980023682
Energy: 1.079524730482965
Energy: 1.189945398004493
Energy: 1.2885169827198435
Energy: 1.072483340743456
Energy: 1.0722347931195224
Energy: 1.0724833407448724
Energy: 1.205470989629956
Energy: 1.071262431735157
Energy: 1.0718387172492214
Energy: 1.0712624317372819
Energy: 1.2429210212153452
Energy: 1.07034364687252
Energy: 1.0713044413098736
Energy: 1.070343646874645
Energy: 1.2432961779890292
Energy: 1.0706697442029458
Energy: 1.0722181681552716
Energy: 1.0706697442022375
Energy: 1.208661503271901
Energy: 1.1904905901491338
Energy: 1.20555560354109
Energy: 1.1904905901484255
Energy: 1.1909257341685
Energy: 1.1903565865490435
Energy: 1.2050219002456641
Energy: 1.1903565865497518
Energy: 1.1449323063820886
Energy: 1.2016723116206176
Energy: 1.100779600995349
Energy: 1.2016723116262842
Energy: 1.1912367086109872
Energy: 1.145919649249896
Energy: 1.0755918741835322
Energy: 1.1459196492506043
Energy: 1.199543386023971
Energy: 1.0993391580371437
Energy: 1.1001218163991142
Energy: 1.0993391580378522
Energy: 1.3652423663567197
Energy: 1.1038141762315474
Energy: 1.1006050329535555
Energy: 1.1038141762308389
Energy: 1.1204908475945146
Energy: 1.099731150924403
Energy: 1.204916344436543
Energy: 1.0997311509258196
Energy: 1.1040432506996822
Energy: 1.1012171828600954
Energy: 1.237451006907587
Energy: 1.1012171828615118
Energy: 1.1006206098197644
Energy: 1.1003816812437057
Energy: 1.1919201351196642
Energy: 1.1003816812458307
Energy: 1.1199490913608314
Energy: 1.20438084996511
Energy: 1.2105708157205366
Energy: 1.2043808499658186
Energy: 1.1005020330216506
Energy: 1.1654865999711164
Energy: 1.135356598068679
Energy: 1.1654865999732413
Energy: 1.3641593083998924
Energy: 1.1921687211089054
Energy: 1.2011991704704994
Energy: 1.1921687211089054

minimum gb energy = 1.07034364687252 eV
minimum distance =  2.28452969759244 Angstroms
sigma value = 73


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

Energy: 1.4401845784651062
Energy: 1.1275396410915985
Energy: 1.1543759067384511
Energy: 1.1524254202546214
Energy: 1.082144728202349
Energy: 1.2400324199091917
Energy: 1.1786914796865577
Energy: 1.2400324199091917
Energy: 1.085674203958937
Energy: 1.0865627914223226
Energy: 1.2511706264283469
Energy: 1.0865627914245701
Energy: 1.0856930785727157
Energy: 1.086251666185413
Energy: 1.1785652942856233
Energy: 1.086251666186537
Energy: 1.089837163956019
Energy: 1.0897663483830335
Energy: 1.2388764890368433
Energy: 1.0897663483830335
Energy: 1.1347205713956081
Energy: 1.2492606388426268
Energy: 1.2096712356410588
Energy: 1.2492606388426268
Energy: 1.1018548059069135
Energy: 1.1850605136838508
Energy: 1.2092513683735917
Energy: 1.1850605136838508
Energy: 1.1690432315452295
Energy: 1.1838698202416138
Energy: 1.1821850943972405
Energy: 1.1838698202416138
Energy: 1.1142778473892974
Energy: 1.2484114712384018
Energy: 1.182612347898896
Energy: 1.2484114712395258
Energy: 1.13811984912309
Energy: 1.2573242270761906
Energy: 1.1828315555286009
Energy: 1.2573242270784384
Energy: 1.1147348872079257
Energy: 1.0583522746545162
Energy: 1.0585282821594226
Energy: 1.05835227465564
Energy: 1.1160106243095136
Energy: 1.0588095988996988
Energy: 1.3045956874060496
Energy: 1.0588095988985748
Energy: 1.182175220505157
Energy: 1.1217308291137398
Energy: 1.1158856991405381
Energy: 1.121730829115987
Energy: 1.1821069269743456
Energy: 1.1215352884886587
Energy: 1.1176093151695705
Energy: 1.121535288487535
Energy: 1.195009024839774
Energy: 1.1116682673196236
Energy: 1.1129246968293316
Energy: 1.1116682673184999
Energy: 1.239550656216611
Energy: 1.1141513480346132
Energy: 1.1124305343360263
Energy: 1.1141513480334895
Energy: 1.2102901831844635
Energy: 1.270359626575469
Energy: 1.1139493244876741
Energy: 1.2703596265743453
Energy: 1.1887836434486119
Energy: 1.1887912670838336
Energy: 1.1013070187396212
Energy: 1.1887912670838336
Energy: 1.1608691502894677
Energy: 1.16433810340172
Energy: 1.1013442845649937
Energy: 1.1643381034028437
Energy: 1.2093376760133767
Energy: 1.1843040317997635
Energy: 1.1532473463871376
Energy: 1.184304031802011
Energy: 1.1604844386589437
Energy: 1.2774742578455152
Energy: 1.1409166500488535
Energy: 1.2774742578455152
Energy: 1.2111530658555902
Energy: 1.1525642382728885
Energy: 1.152364956572065
Energy: 1.1525642382717647

minimum gb energy = 1.0583522746545162 eV
minimum distance =  2.27418456601833 Angstroms
sigma value = 7


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

Energy: 1.6454282358679382
Energy: 1.1070965354925997
Energy: 1.189651632618747
Energy: 1.1895839274678697
Energy: 1.0714013358246963
Energy: 1.1469256215025276
Energy: 1.2276652592580517
Energy: 1.1469256215017327
Energy: 1.0955855724630605
Energy: 1.2355079117297587
Energy: 1.1838369936221511
Energy: 1.2355079117321426
Energy: 1.0906602329297859
Energy: 1.0895763146535293
Energy: 1.2270096126789867
Energy: 1.0895763146527346
Energy: 1.0814337419766928
Energy: 1.080448623048395
Energy: 1.2041987926787725
Energy: 1.0804486230468058
Energy: 1.0912411907427362
Energy: 1.0797965894878367
Energy: 1.2042015496389504
Energy: 1.0797965894878367
Energy: 1.2254941067404352
Energy: 1.08089695674984
Energy: 1.0914655507418567
Energy: 1.0808969567522242
Energy: 1.2258016716985187
Energy: 1.079734694532468
Energy: 1.078130939428523
Energy: 1.079734694537236
Energy: 1.2281630099904688
Energy: 1.0885040530867816
Energy: 1.0891111416495527
Energy: 1.0885040530915497
Energy: 1.2644011229932597
Energy: 1.2350187300657867
Energy: 1.082464659127855
Energy: 1.2350187300689652
Energy: 1.2271839187584443
Energy: 1.1477294584456412
Energy: 1.1576479374050754
Energy: 1.1477294584456412
Energy: 1.1493079255964729
Energy: 1.1496678424539506
Energy: 1.166787986766082
Energy: 1.1496678424515665
Energy: 1.1487904813341583
Energy: 1.150229515939723
Energy: 1.1477463413899758
Energy: 1.1502295159317766
Energy: 1.1646788032128883
Energy: 1.1679661425851697
Energy: 1.1065627378516667
Energy: 1.167966142582786
Energy: 1.1483795976707214
Energy: 1.1523140435049888
Energy: 1.086034331721411
Energy: 1.1523140435129353
Energy: 1.084166604332273
Energy: 1.1482795165404045
Energy: 1.1472516449310632
Energy: 1.1482795165451722
Energy: 1.0884313829244476
Energy: 1.146501182907616
Energy: 1.2273571626722444
Energy: 1.146501182909205
Energy: 1.082337293951554
Energy: 1.2403514508680857
Energy: 1.1827632855866894
Energy: 1.2403514508664966
Energy: 1.0870772728166036
Energy: 1.0888724311781557
Energy: 1.2283439166989505
Energy: 1.088872431177361
Energy: 1.0799801828906404
Energy: 1.0794591492679508
Energy: 1.0854597327122026
Energy: 1.0794591492639776
Energy: 1.0915404416295185
Energy: 1.0808650658118188
Energy: 1.2038919298394324
Energy: 1.080865065814203
Energy: 1.2258978049649372
Energy: 1.0800195849722052
Energy: 1.1581328319007234
Energy: 1.080019584968232
Energy: 1.2257599616132577
Energy: 1.080622618410772
Energy: 1.0814927648075576
Energy: 1.0806226184115666
Energy: 1.2275266583249775
Energy: 1.089661643210635
Energy: 1.0901256653521718
Energy: 1.089661643215403
Energy: 1.2658196399143407
Energy: 1.091029411535819
Energy: 1.0958692966746855
Energy: 1.0910294115413817
Energy: 1.2067415965877957
Energy: 1.1467720170452744
Energy: 1.0801956088021698
Energy: 1.146772017048453
Energy: 1.1476996390681966
Energy: 1.1481617700427402
Energy: 1.4535727494807478
Energy: 1.1481617700403564
Energy: 1.146266701429571
Energy: 1.1476241909907707
Energy: 1.0807302269248533
Energy: 1.147624190997092
Energy: 1.186298159857486
Energy: 1.1701821191742785
Energy: 1.1480087215337917
Energy: 1.1701821191726893
Energy: 1.1466919202885766
Energy: 1.1880525862405178
Energy: 1.1064229159968335
Energy: 1.1880525862397233
Energy: 1.084317313883787
Energy: 1.14712994205779
Energy: 1.149089747878936
Energy: 1.147129942060174

minimum gb energy = 1.0714013358246963 eV
minimum distance =  2.27868736620403 Angstroms
sigma value = 29


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

Energy: 1.0183516909931893
Energy: 1.0197605246376256
Energy: 1.1113635752716122
Energy: 1.1989453175505125
Energy: 1.0164728757852821
Energy: 1.1040833800424064
Energy: 1.0291241938047673
Energy: 1.104083380042929
Energy: 1.0282874804619917
Energy: 1.1130788836800114
Energy: 1.0186870227352678
Energy: 1.113078883679458
Energy: 1.0165137446482477
Energy: 1.030566350586026
Energy: 1.027372624149214
Energy: 1.030566350586026
Energy: 1.0267275257327972
Energy: 1.0271902410970208
Energy: 1.0165976599040096
Energy: 1.0271902410970208
Energy: 1.02690515557113
Energy: 1.107092576722705
Energy: 1.0165541912257048
Energy: 1.1070925767219053
Energy: 1.0193738231774874
Energy: 1.1123020695565702
Energy: 1.0272755043046005
Energy: 1.1123020695568469
Energy: 1.0290633074338458
Energy: 1.0258100540574624
Energy: 1.0167760365722047
Energy: 1.025810054058262
Energy: 1.0159997472061075
Energy: 1.025611302037695
Energy: 1.0244756414248695
Energy: 1.0256113020366187

minimum gb energy = 1.0159997472061075 eV
minimum distance =  2.25080969138814 Angstroms
sigma value = 5


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

Energy: 1.305037400716796
Energy: 0.967981420132786
Energy: 1.135980649824563
Energy: 0.9897333150529403
Energy: 1.0094959359515745
Energy: 1.0085852645206344
Energy: 1.1413543857852289
Energy: 1.008585264522136
Energy: 1.1386474639231188
Energy: 1.0754963820970638
Energy: 1.1300568801057809
Energy: 1.075496382098565
Energy: 1.0088799746569466
Energy: 0.9892159276785942
Energy: 1.1378290178288544
Energy: 0.989215927677093
Energy: 1.134876092517263
Energy: 0.9948364077564276
Energy: 1.125207265274653
Energy: 0.9948364077556768
Energy: 1.004655563803344
Energy: 1.005229873833848
Energy: 1.125940712256828
Energy: 1.0052298738345986
Energy: 0.9889991053890934
Energy: 0.9889386176625209
Energy: 1.1381717901875912
Energy: 0.9889386176632716
Energy: 1.00924244995764
Energy: 0.9969533418202339
Energy: 1.2345208106092622
Energy: 0.9969533418209846
Energy: 1.0254388721446492
Energy: 1.0296233750676356
Energy: 1.2360945400752537
Energy: 1.029623375068386
Energy: 1.1559211344771345
Energy: 0.9717247719262289
Energy: 0.9711164597641677
Energy: 0.9717247719262289
Energy: 1.0234362804542323
Energy: 0.9717726252242771
Energy: 0.970817771957964
Energy: 0.9717726252242771
Energy: 1.2376535652288716
Energy: 0.9715987699138724
Energy: 0.973604475675127
Energy: 0.9715987699131217
Energy: 1.2310441667430208
Energy: 0.9717274683930565
Energy: 0.9735627102049995
Energy: 0.9717274683938071
Energy: 0.9944940998832739
Energy: 1.0313565903287272
Energy: 1.127020104939366
Energy: 1.0313565903287272
Energy: 1.0061441504422624
Energy: 0.989044832853653
Energy: 1.1373109933766963
Energy: 0.9890448328544037
Energy: 1.008762704136357
Energy: 1.005466755826784
Energy: 1.1231529291234945
Energy: 1.0054667558252828
Energy: 0.9878057982510701
Energy: 0.9894061244329063
Energy: 1.0079363090640372
Energy: 0.9894061244336569
Energy: 1.14048317200267
Energy: 1.0091749199357305
Energy: 1.008876133775929
Energy: 1.0091749199357305
Energy: 1.1319162575574715
Energy: 1.0733917680852898
Energy: 1.1391027919952412
Energy: 1.0733917680852898
Energy: 1.138010601932893
Energy: 0.9885635919649514
Energy: 1.0075788521315798
Energy: 0.9885635432938809
Energy: 1.1264499441134643
Energy: 1.006847683942481
Energy: 1.1352718498275232
Energy: 1.0068476839432314
Energy: 1.1252756948751677
Energy: 0.9942787704492532
Energy: 0.991009870327768
Energy: 0.9942787704485024
Energy: 1.138447876361755
Energy: 0.9894241251125817
Energy: 0.992341938012284
Energy: 0.9894241251133323
Energy: 1.233011310056514
Energy: 0.99649508476879
Energy: 1.0073730585687033
Energy: 0.9964950847695067
Energy: 1.236666005690017
Energy: 1.0286591350924368
Energy: 1.0235522144492795
Energy: 1.0286591350901848
Energy: 0.9718554638445943
Energy: 0.9710933856879954
Energy: 1.1557987641566123
Energy: 0.9710933856902472
Energy: 0.9715120249585372
Energy: 0.9718568152037853
Energy: 1.024887152866682
Energy: 0.9718568152037853
Energy: 0.9715361120082834
Energy: 0.9707679659760083
Energy: 1.0440066657790112
Energy: 0.9707679659760083
Energy: 0.9734509248452263
Energy: 0.971128434373146
Energy: 1.2321348387867193
Energy: 0.9711284343738967
Energy: 1.137298177086738
Energy: 1.0301246597711644
Energy: 1.0113303675858032
Energy: 1.0301246597704137
Energy: 1.1269124574644402
Energy: 0.993194562156294
Energy: 1.0073697550200391
Energy: 0.993194562156294
Energy: 1.1242345989159641
Energy: 0.9944311857208719
Energy: 1.0079579735947375
Energy: 0.9944311857223732
Energy: 1.010818716784987
Energy: 0.9893186726751834
Energy: 0.9882914528862996
Energy: 0.9893186726744327

minimum gb energy = 0.967981420132786 eV
minimum distance =  2.21456719474026 Angstroms
sigma value = 1


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

Energy: 1.3700183864918434
Energy: 0.9180535961521056
Energy: 1.1061344508075492
Energy: 0.9394477985265707
Energy: 0.9555866845938804
Energy: 0.9556119477199815
Energy: 1.1424000717450618
Energy: 0.955611947718967
Energy: 1.1396750051672022
Energy: 1.0503348582422523
Energy: 1.1278315444778109
Energy: 1.0503348582443282
Energy: 0.9567507015439047
Energy: 1.0457312150346836
Energy: 1.12029751668562
Energy: 1.0457312150398728
Energy: 0.9399741825763728
Energy: 0.9398835438810598
Energy: 1.1231051251812578
Energy: 0.9398835438831354
Energy: 0.9396401558835147
Energy: 0.9416412793504062
Energy: 1.1238278028515774
Energy: 0.9416412793483304
Energy: 0.9366351436282256
Energy: 0.9371817128824054
Energy: 1.121553669102202
Energy: 0.9371817128824054
Energy: 0.9595094467206259
Energy: 0.9530135804529862
Energy: 1.275984383971897
Energy: 0.9530135804529862
Energy: 1.1386877815217014
Energy: 0.9963694040543063
Energy: 1.2749183525418522
Energy: 0.9963694040543063
Energy: 1.1627878184207
Energy: 0.9592319861926686
Energy: 0.9557194517763875
Energy: 0.9592319861947443
Energy: 1.1351101580121743
Energy: 0.9370598472123558
Energy: 0.9358482954282047
Energy: 0.9370598472113177
Energy: 1.2716108288982166
Energy: 0.9427594259282323
Energy: 0.9419566410569775
Energy: 0.9427594259282323
Energy: 1.272336851116091
Energy: 0.9383850909775234
Energy: 0.9412097667872089
Energy: 0.9383850909764855
Energy: 1.1196241460139098
Energy: 0.9405020115582405
Energy: 1.1276758070650388
Energy: 0.9405020115603163
Energy: 0.9558525043112059
Energy: 1.0452442321424966
Energy: 1.1415539081537056
Energy: 1.0452442321393831
Energy: 0.9567886788094861
Energy: 0.9413527920470643
Energy: 1.1215742332930927
Energy: 0.9413527920460264
Energy: 0.940477194466587
Energy: 0.9382004951192146
Energy: 1.122611670410396
Energy: 0.9382004951192146
Energy: 0.9598376820213464
Energy: 0.9567968450187705
Energy: 1.1163653646010245
Energy: 0.9567968450166947
Energy: 0.9365470498558129
Energy: 0.9372887231278308
Energy: 1.2757338539823295
Energy: 0.9372887231299065
Energy: 0.9419551202433751
Energy: 1.223399177796604
Energy: 1.2754113225647088
Energy: 1.2233989412104045
Energy: 1.1229229926024564
Energy: 0.997578745541696
Energy: 1.1218355131626296
Energy: 0.9975787455406582
Energy: 1.1227662443480566
Energy: 0.9419676733193196
Energy: 0.957860055871247
Energy: 0.9419676733182817
Energy: 1.1215731143941412
Energy: 0.9396169937873118
Energy: 0.9420211261790886
Energy: 0.9396169937831602
Energy: 1.272257562254998
Energy: 0.9383346575368083
Energy: 0.9376856456330561
Energy: 0.9383346575388841

minimum gb energy = 0.9180535961521056 eV
minimum distance =  2.22086685392423 Angstroms
sigma value = 17


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

Energy: 1.4464159875666687
Energy: 0.9069123451899535
Energy: 1.104109046661836
Energy: 0.922107146512676
Energy: 0.9322776673693808
Energy: 0.9254602732082612
Energy: 1.0406037124386787
Energy: 0.9254602732082612
Energy: 1.1413899811665171
Energy: 0.9182021634652786
Energy: 1.0437908435941854
Energy: 0.9182021634665616
Energy: 1.1369248945280468
Energy: 0.974986021743344
Energy: 1.033453463645874
Energy: 0.9749860217439855
Energy: 1.0206329850334854
Energy: 0.9062968958568536
Energy: 1.2402516597419113
Energy: 0.906296895853646
Energy: 0.9089859579449259
Energy: 0.9058114741549627
Energy: 1.2425470137873469
Energy: 0.9058114741575286
Energy: 0.9108077290344133
Energy: 0.9065988068240852
Energy: 1.0338116422837775
Energy: 0.9065988068253682
Energy: 0.9146465540168919
Energy: 0.9112238104723785
Energy: 1.33253270712483
Energy: 0.9112238104736615
Energy: 1.2397916611895092
Energy: 0.9063281672481545
Energy: 1.1418523023672995
Energy: 0.906328167247513
Energy: 1.0549368569282764
Energy: 0.9768397631923891
Energy: 1.0355882825333005
Energy: 0.976839763193672
Energy: 1.2381642824925112
Energy: 1.1389594804173622
Energy: 0.9282142167842814
Energy: 1.138959479788345
Energy: 1.2392694641728612
Energy: 0.9198130440722431
Energy: 1.0342975473385627
Energy: 0.9198130440716015
Energy: 1.2335697132409242
Energy: 0.9173848469984317
Energy: 0.9170106033478561
Energy: 0.9173848470029222
Energy: 1.070174071154012
Energy: 0.919085199666171
Energy: 0.9186227810607503
Energy: 0.9190851996655294
Energy: 1.1645283976534837
Energy: 0.9225364553639296
Energy: 0.928396474451558
Energy: 0.9225364553626467
Energy: 1.3386539817655876
Energy: 0.9184312316730748
Energy: 1.0734393026274647
Energy: 0.9184312316724335
Energy: 0.9180024860139949
Energy: 0.9264665446335728
Energy: 1.234454240687708
Energy: 0.9264647185396319
Energy: 0.9181470899948856
Energy: 0.917593640634445
Energy: 1.238448338581682
Energy: 0.9175936406338038
Energy: 0.9214926530014902
Energy: 0.9302559929032798
Energy: 1.1383353568011543
Energy: 0.9302559929026384
Energy: 0.9203820790461834
Energy: 0.9177934949205463
Energy: 1.3322308853072178
Energy: 0.9177934949224708
Energy: 1.0403377293468694
Energy: 0.921318685296311
Energy: 1.022794172201123
Energy: 0.9213186852943867
Energy: 1.0423631437905563
Energy: 0.9181417900958125
Energy: 1.143127765405864
Energy: 0.9181417900932464
Energy: 1.0341975498757006
Energy: 0.9727693472206723
Energy: 1.1486051613553994
Energy: 0.9727693472238799
Energy: 1.233495201929571
Energy: 0.9098625553413644
Energy: 1.0206877480474172
Energy: 0.9098625553458548
Energy: 1.2399903693456307
Energy: 0.9049992552699463
Energy: 0.9052106296196111
Energy: 0.9049992552680217
Energy: 1.0343279023386809
Energy: 0.9084038440304665
Energy: 0.9124138008532322
Energy: 0.908403844029825
Energy: 1.3326826706458936
Energy: 0.9111514256340904
Energy: 0.9093342281931281
Energy: 0.9111514256353734
Energy: 1.1390594082478063
Energy: 0.9110301483079527
Energy: 1.2424658484435838
Energy: 0.9110301483066696
Energy: 1.0402529502276663
Energy: 0.9750005635970989
Energy: 1.0426664792385207
Energy: 0.9750005635983818
Energy: 0.9294120378024893
Energy: 0.9178001569970392
Energy: 1.2366914281856618
Energy: 0.9178010320467037
Energy: 1.0329642954850602
Energy: 0.9182940523227743
Energy: 1.2419195166849082
Energy: 0.9182940523202081
Energy: 0.9168005971491742
Energy: 0.9182626401911355
Energy: 1.2432792807663289
Energy: 0.9182626401898525
Energy: 0.9179752310954726
Energy: 0.9175725441361363
Energy: 1.1338112587278013
Energy: 0.9175725441393439
Energy: 0.9271702743388055
Energy: 0.9273640838942037
Energy: 1.1354952908673153
Energy: 0.9273640838967696
Energy: 1.1789716675271722
Energy: 0.917545152113574
Energy: 1.3387220798465878
Energy: 0.9175451521116494
Energy: 1.3143932084740515
Energy: 0.9254488395910477
Energy: 0.9193633738585472
Energy: 0.9254488395891233
Energy: 1.2375136649827823
Energy: 0.917260100411411
Energy: 0.9175919107723688
Energy: 0.9172601004094866
Energy: 1.1408497476779567
Energy: 0.9205558335745062
Energy: 0.9193040955438729
Energy: 0.9205558335757891

minimum gb energy = 0.9049992552680217 eV
minimum distance =  2.22171702087394 Angstroms
sigma value = 89


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

Energy: 1.5093770607506596
Energy: 0.8629992478738964
Energy: 0.8305658842240065
Energy: 0.8296726527032383
Energy: 0.8227021822604528
Energy: 0.9198964469362501
Energy: 0.8298823307392846
Energy: 0.9198964469362501
Energy: 0.8226737339732678
Energy: 0.9199352214813499
Energy: 0.8511345722005353
Energy: 0.9199352214796712
Energy: 0.8236321519181502
Energy: 0.912753820922146
Energy: 0.829237108486475
Energy: 0.912753820922146
Energy: 0.8287456524545176
Energy: 0.8296574584715269
Energy: 1.1063617052488561
Energy: 0.8296574584715269
Energy: 0.8303013787897243
Energy: 0.8282762660532447
Energy: 1.106544313522928
Energy: 0.8282762660532447
Energy: 0.82898215633905
Energy: 0.8277162977267146
Energy: 0.8306652545786608
Energy: 0.8277162977267146
Energy: 0.8280406447969689
Energy: 0.8286831441531421
Energy: 0.8246041463536924
Energy: 0.8286831441514636
Energy: 0.8295888346222444
Energy: 0.8277894076403461
Energy: 0.8290504174317986
Energy: 0.827789407643703
Energy: 0.851692877846003
Energy: 0.9354987093893118
Energy: 0.8304066471797056
Energy: 0.9354987093909903
Energy: 0.8310153606731644
Energy: 0.9103573547872843
Energy: 0.8215886882496048
Energy: 0.9103573547872843
Energy: 1.1071725760710833
Energy: 0.827685784390624
Energy: 0.8291534976569723
Energy: 0.827685784390624
Energy: 1.1071097231983824
Energy: 0.8295535690362199
Energy: 0.829062003425857
Energy: 0.8295535690362199
Energy: 0.8296090259166088
Energy: 0.8271135218331233
Energy: 0.8267053165637007
Energy: 0.8271135218331233
Energy: 0.82777398045399
Energy: 0.8295678999354124
Energy: 0.8302088375753897
Energy: 0.8295678999354124

minimum gb energy = 0.8215886882496048 eV
minimum distance =  2.25931622556878 Angstroms
sigma value = 13


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

Energy: 1.3296156954966707
Energy: 0.7824744087891552
Energy: 1.0190110551553009
Energy: 0.7842036426661885
Energy: 1.2054126771689095
Energy: 0.7829240945290233
Energy: 0.9219121401907122
Energy: 0.7829240945255059
Energy: 1.263774918312046
Energy: 0.7819979033775039
Energy: 0.9159187188877307
Energy: 0.781997903385914
Energy: 1.0471531824122984
Energy: 0.785263725959275
Energy: 0.9090249544515479
Energy: 0.7852637259613855
Energy: 1.076030121121414
Energy: 0.7836187692251405
Energy: 1.1558759532476026
Energy: 0.7836187692237335
Energy: 0.9077752782235434
Energy: 0.7833942501593445
Energy: 1.1551434209388793
Energy: 0.7833942501530448
Energy: 0.9159139855750236
Energy: 0.782400755395321
Energy: 1.0728017813475927
Energy: 0.7824007553995421
Energy: 0.9078588655778816
Energy: 0.7856308958300147
Energy: 1.14733387517559
Energy: 0.7856308958321252
Energy: 0.803294738722871
Energy: 0.7853196791520477
Energy: 1.1501635557699768
Energy: 0.7853196791569724
Energy: 0.7814286547393476
Energy: 0.7826382748838974
Energy: 1.1512088359346417
Energy: 0.7826382748860078
Energy: 0.7842630520275103
Energy: 0.7883318289708703
Energy: 1.3301202428268746
Energy: 0.7883318289849406
Energy: 1.1447227487208484
Energy: 0.8365138764201495
Energy: 1.0726939595323146
Energy: 0.8365138764201495
Energy: 1.1583567411649602
Energy: 0.8354280648508836
Energy: 1.1431329454514172
Energy: 0.8354280648480694
Energy: 1.1499022850156437
Energy: 0.8381763272008025
Energy: 1.044864347520331
Energy: 0.8381763272028809
Energy: 1.1500272696501224
Energy: 0.7843143275041953
Energy: 1.0737210376580446
Energy: 0.7843143275070092
Energy: 1.1564661446925808
Energy: 0.7826985107674254
Energy: 0.7856779449966955
Energy: 0.7826985107639077
Energy: 1.1484825185522067
Energy: 0.7827188448306487
Energy: 0.783041660422936
Energy: 0.7827188448362769
Energy: 1.2696415226441629
Energy: 0.7841301243949486
Energy: 0.7886029245837659
Energy: 0.7841301243893204
Energy: 1.0203954176081227
Energy: 0.802035151047477
Energy: 0.9026253617289108
Energy: 0.8020351510411453
Energy: 1.1511269180402988
Energy: 0.7814049498391549
Energy: 0.9154472513855668
Energy: 0.7814049498490041
Energy: 1.0436350905696106
Energy: 0.7855058162474379
Energy: 0.9053692629998121
Energy: 0.7855058162474379
Energy: 1.0796631233885787
Energy: 0.7820933751818846
Energy: 1.1547178977061088
Energy: 0.7820933751924374
Energy: 0.9221271581909553
Energy: 0.7847708008371213
Energy: 1.156307003217616
Energy: 0.784770800825865
Energy: 0.7850362881017381
Energy: 0.7816627866793513
Energy: 1.0750573213363004
Energy: 0.7816627866687985
Energy: 0.9060615641471351
Energy: 0.7829855184467696
Energy: 1.3610477473974785
Energy: 0.7829855184488801
Energy: 0.7835010844251535
Energy: 0.7814514350556032
Energy: 1.3585422971825725
Energy: 0.781451435048568
Energy: 0.7820552961276557
Energy: 0.7815055136371792
Energy: 1.0786956174242297
Energy: 0.7815055136385862
Energy: 0.8040276011793347
Energy: 0.7856522861661007
Energy: 1.2696544435783501
Energy: 0.7856522861646936
Energy: 1.1436363174401398
Energy: 0.7819683092892785
Energy: 1.020454514481423
Energy: 0.781968309291389
Energy: 0.9151585098994702
Energy: 0.8388427249538679
Energy: 1.1448922428070554
Energy: 0.8388427249489433
Energy: 1.1480179594457578
Energy: 1.2133582656095392
Energy: 1.0439959046558231
Energy: 1.213358261705378
Energy: 1.1555317391909352
Energy: 0.782719466591241
Energy: 1.0740074145884542
Energy: 0.7827194665989797
Energy: 1.1499480783739158
Energy: 0.7848066654043555
Energy: 0.8047881284148537
Energy: 0.7848066653923959
Energy: 1.073965445897647
Energy: 0.7816801556118435
Energy: 0.7825368890613398
Energy: 0.7816801556048083
Energy: 1.019550776176799
Energy: 0.7833594107222128
Energy: 0.7844437272568864
Energy: 0.7833594107243232

minimum gb energy = 0.7814049498391549 eV
minimum distance =  2.25543548557916 Angstroms
sigma value = 37


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

Energy: 1.1585225414621139
Energy: 0.7131393050498565
Energy: 0.7107747835742645
Energy: 0.7120324328421138
Energy: 1.1306945518213478
Energy: 0.7108925940177875
Energy: 0.9215294864549357
Energy: 0.7108925940165771
Energy: 1.131637793186037
Energy: 0.7102669132682531
Energy: 0.9248521581173748
Energy: 0.7102669132670427
Energy: 1.1304189375636302
Energy: 0.8073499738242339
Energy: 0.9225769109561436
Energy: 0.8073499738254444
Energy: 1.152124759986927
Energy: 0.8056254108896977
Energy: 0.9207673281328052
Energy: 0.8056254108896977
Energy: 0.8361989088815172
Energy: 0.7101881985652994
Energy: 1.0931621364217254
Energy: 0.7101881985652994
Energy: 0.7067634574543831
Energy: 0.7099566919118631
Energy: 1.1529226928905922
Energy: 0.7099566919106527
Energy: 0.7209312761078884
Energy: 0.7104701469600038
Energy: 1.1443993357136815
Energy: 0.7104701469587934
Energy: 0.710682375314847
Energy: 0.7103430467826423
Energy: 1.293974483896724
Energy: 0.7103430467814319
Energy: 0.7095099264311543
Energy: 0.7124811166707077
Energy: 1.1651011196758005
Energy: 0.7124811166707077
Energy: 0.7107747835936306
Energy: 0.7120324328179338
Energy: 1.1585225414621139
Energy: 0.7131393050510669
Energy: 0.9215294864537253
Energy: 0.7108925940165771
Energy: 1.2323043592480352
Energy: 0.7108925940177875
Energy: 0.9248521581161644
Energy: 0.7102669132670427
Energy: 1.131637793186037
Energy: 0.7102669132670427
Energy: 0.9225769109561436
Energy: 0.8073499738242339
Energy: 1.1304189375648408
Energy: 0.8073499738254444
Energy: 0.9207673281340155
Energy: 0.8056254108896977
Energy: 1.152124759986927
Energy: 0.8056254108909081
Energy: 1.072302919805549
Energy: 0.7101881985652994
Energy: 0.706907759881447
Energy: 0.7101881985652994
Energy: 1.1529226928930127
Energy: 0.7099566919130734
Energy: 0.7067634574531727
Energy: 0.7099566919106527
Energy: 1.1443993357136815
Energy: 0.7104701469600038
Energy: 0.7209312761066781
Energy: 0.7104701469600038
Energy: 1.2939744838991447
Energy: 0.7103430467826423
Energy: 0.710682375314847
Energy: 0.7103430467826423
Energy: 1.130694551811665
Energy: 0.7124811166707077
Energy: 0.7095099264311543
Energy: 0.7124811166707077

minimum gb energy = 0.7067634574531727 eV
minimum distance =  2.26588635498786 Angstroms
sigma value = 25


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

Energy: 1.3619608950993434
Energy: 0.6630454315256742
Energy: 0.6332437722194703
Energy: 0.6330801296796803
Energy: 1.239315108069628
Energy: 0.6312666283409444
Energy: 0.8029893897938677
Energy: 0.6312666283409444
Energy: 1.2394719350519605
Energy: 0.6305920426691622
Energy: 0.800829063453067
Energy: 0.6305920426701075
Energy: 0.9680185057393872
Energy: 0.6302419510853968
Energy: 0.798551814463013
Energy: 0.6302419510853968
Energy: 1.247381741644529
Energy: 0.9097752711100414
Energy: 1.107543996723821
Energy: 0.9097752711100414
Energy: 0.9661561186831695
Energy: 0.7042305633894218
Energy: 1.1043381816044777
Energy: 0.7042305633894218
Energy: 0.9661070517627486
Energy: 0.9097490167041896
Energy: 1.1059205097579936
Energy: 0.9097490167032445
Energy: 0.9845576891980448
Energy: 0.6302510107743063
Energy: 1.1027858253796932
Energy: 0.6302510107715138
Energy: 0.8005965383620469
Energy: 0.6305512352403779
Energy: 1.2485311315697312
Energy: 0.6305512352403779
Energy: 0.8028634979877064
Energy: 0.6312497243127674
Energy: 1.248773448904722
Energy: 0.6312497243127674
Energy: 0.6304396636705469
Energy: 0.6299434166928378
Energy: 1.1630640131235455
Energy: 0.6299434166918926
Energy: 0.6347927902721331
Energy: 0.6314611204979054
Energy: 1.2492590814224338
Energy: 0.6314611204979054
Energy: 0.6323302885865348
Energy: 0.6341598458548773
Energy: 1.2393280008449894
Energy: 0.6341598458567675
Energy: 0.7984277266168223
Energy: 0.6298493114235381
Energy: 1.2371043707729472
Energy: 0.6298493114216478
Energy: 0.8001934676423076
Energy: 0.6299783503028842
Energy: 1.2480331940518663
Energy: 0.6299783503028842
Energy: 0.8038147302834178
Energy: 0.6318925703201533
Energy: 1.240823022393123
Energy: 0.6318925703210986
Energy: 1.105448353767245
Energy: 0.6301785727495424
Energy: 1.2384984534861574
Energy: 0.6301785727495424
Energy: 0.7981797241072347
Energy: 0.9106753792297436
Energy: 1.105325893199653
Energy: 0.9106753792297436
Energy: 1.1046573617048907
Energy: 0.9096292791911927
Energy: 0.9655942176286414
Energy: 0.9096292791921378
Energy: 1.248080240319062
Energy: 0.9094553837798207
Energy: 0.9656486629696859
Energy: 0.9094553837798207
Energy: 1.1642452779562396
Energy: 0.6302673391434152
Energy: 0.7988428082138983
Energy: 0.63026733914247
Energy: 1.2494595250403084
Energy: 0.6296588671217989
Energy: 0.6308678740557481
Energy: 0.6296588671236891
Energy: 1.24388746146307
Energy: 0.6332286233836562
Energy: 0.8007403948626585
Energy: 0.6332286233827109
Energy: 1.1071136345582275
Energy: 0.6305184482719346
Energy: 0.6301782075069442
Energy: 0.6305184482719346
Energy: 1.2475010866596485
Energy: 0.6298924471483001
Energy: 0.6310226692050512
Energy: 0.6298924471483001
Energy: 1.2396489999470328
Energy: 0.6322860431568075
Energy: 0.6309151312421012
Energy: 0.6322860431549172

minimum gb energy = 0.6296588671217989 eV
minimum distance =  2.27342005063368 Angstroms
sigma value = 41


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

Energy: 1.4913447603976169
Energy: 0.5976871654040974
Energy: 0.5750131879656323
Energy: 0.5727276989988046
Energy: 1.317200156838666
Energy: 0.5715349109520285
Energy: 0.7125118801918671
Energy: 0.5715349109535781
Energy: 1.3172546020954286
Energy: 0.5708846605943082
Energy: 0.7115446222266171
Energy: 0.570884660595858
Energy: 1.087229914083015
Energy: 0.5738638954903129
Energy: 0.9663246188578348
Energy: 0.5738638954910877
Energy: 1.3220834715637697
Energy: 0.8135775362620027
Energy: 0.9685878397885103
Energy: 0.8135775362620027
Energy: 1.0814909512690798
Energy: 1.0489595366886628
Energy: 0.9673794303185062
Energy: 1.0489595366886628
Energy: 1.0870799306942107
Energy: 1.0461459482197553
Energy: 1.2020646906246775
Energy: 1.0461459482220796
Energy: 1.089593964616022
Energy: 1.0505627104204358
Energy: 0.9642972127113952
Energy: 1.0505627104196609
Energy: 0.8478394441183527
Energy: 0.5715829549548785
Energy: 1.200315044462035
Energy: 0.5715829549548785
Energy: 0.8485977885541994
Energy: 0.8132689948281898
Energy: 1.3246521372029751
Energy: 0.8132689948289648
Energy: 0.7098755544838081
Energy: 0.573807214507562
Energy: 1.1982474247010142
Energy: 0.5738072145091117
Energy: 0.7094623826525339
Energy: 0.5700746251990003
Energy: 1.3237291183154618
Energy: 0.5700746251974507
Energy: 0.7163591837044847
Energy: 0.5732962881887722
Energy: 1.3243920142710726
Energy: 0.5732962881887722
Energy: 0.5701180681860466
Energy: 0.5766056825553509
Energy: 1.1978661169421119
Energy: 0.5766056825561258
Energy: 0.5728581252355188
Energy: 0.5711952445256141
Energy: 1.3219334963560725
Energy: 0.5711952445256141
Energy: 0.5760975462640209
Energy: 0.5734518549753949
Energy: 1.3175155357065755
Energy: 0.57345185497462
Energy: 0.7092747652420024
Energy: 0.5752734673943617
Energy: 1.3140172003991912
Energy: 0.5752734673935868
Energy: 0.7072802844108035
Energy: 0.8050100627285759
Energy: 1.3212615518000417
Energy: 0.8050100627386491
Energy: 0.7134185884118616
Energy: 0.574410245127804
Energy: 1.083977655619781
Energy: 0.574410245127804
Energy: 0.969481334854691
Energy: 0.5724637634377854
Energy: 1.0821037922790158
Energy: 0.572463763434686
Energy: 0.9663174666924544
Energy: 0.8148878074269028
Energy: 1.2025482444193154
Energy: 0.8148878074261279
Energy: 0.9700473556814339
Energy: 1.0487487386977175
Energy: 1.086530898322614
Energy: 1.0487487386984924
Energy: 1.2003866074287068
Energy: 1.0421432048378336
Energy: 1.0807121512810158
Energy: 1.0421432048386083
Energy: 0.9682046466719013
Energy: 1.0499236824080926
Energy: 0.9710385762727302
Energy: 1.0499236824088676
Energy: 1.2025695140465427
Energy: 0.5714538603328287
Energy: 0.8394217301247695
Energy: 0.5714538603336037
Energy: 1.2011006523835122
Energy: 0.5722480069355661
Energy: 0.9685662838247773
Energy: 0.5722480069355661
Energy: 1.203276666875249
Energy: 0.5728462202501827
Energy: 0.7106421211331637
Energy: 0.5728462202501827
Energy: 1.3212728514733831
Energy: 0.7874185048469421
Energy: 0.7062476061557844
Energy: 0.7873717751397619
Energy: 1.2026229276594569
Energy: 0.5777913453117723
Energy: 0.7095715336521901
Energy: 0.5777913453117723
Energy: 1.2005853382622178
Energy: 0.5760980546566307
Energy: 0.5705041424869156
Energy: 0.5760980546566307
Energy: 1.3220042205103795
Energy: 0.5713370063857478
Energy: 0.5724093654475849
Energy: 0.5713370063857478
Energy: 1.3140066582137897
Energy: 0.5772707983904768
Energy: 0.5712693343537167
Energy: 0.5772707983881522

minimum gb energy = 0.5700746251974507 eV
minimum distance =  2.27856194828439 Angstroms
sigma value = 15


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

Energy: 1.2852896103285747
Energy: 0.5472403590059399
Energy: 0.833137406306599
Energy: 0.5274226832024635
Energy: 1.3791432608016696
Energy: 0.5259399448943487
Energy: 0.6472771299472156
Energy: 0.5259399448950051
Energy: 1.3710043433574575
Energy: 0.5248381928310731
Energy: 0.6465694580974712
Energy: 0.5248381928330423
Energy: 1.173716007199005
Energy: 0.52836522148261
Energy: 0.8623609974700488
Energy: 0.5283652214806407
Energy: 1.2760815811511168
Energy: 0.5254082350753726
Energy: 0.8633636697881646
Energy: 0.5254082350766853
Energy: 1.1677384233170418
Energy: 0.5240347206483943
Energy: 0.8636980400778282
Energy: 0.5240347206464249
Energy: 0.9657525944884305
Energy: 0.7641679147727841
Energy: 1.0710953335794327
Energy: 0.7641679147721278
Energy: 1.0732010715827915
Energy: 0.9628013624524449
Energy: 0.8588780673784503
Energy: 0.9628013624531012
Energy: 0.9639368984604866
Energy: 0.9594507896650951
Energy: 1.0657686709869483
Energy: 0.9594507896618132
Energy: 0.9629392478099814
Energy: 0.9582857307215161
Energy: 1.269081849407503
Energy: 0.9582857307202032
Energy: 0.8726454893194194
Energy: 0.7651903720083341
Energy: 1.0733083173782507
Energy: 0.7651903720043955
Energy: 0.7589079883739859
Energy: 0.5251427355786233
Energy: 1.2691964089894614
Energy: 0.5251427355805925
Energy: 0.8654891572531522
Energy: 0.5268243649053532
Energy: 1.2682462560922527
Energy: 0.5268243649079788
Energy: 0.6433666966790169
Energy: 0.5282826305218504
Energy: 1.0713273846399889
Energy: 0.5282826305192247
Energy: 0.6378631275757806
Energy: 0.523915652046667
Energy: 1.3757370611799304
Energy: 0.5239156520492927
Energy: 0.6521097959150067
Energy: 0.5282095507996492
Energy: 1.2702024474220779
Energy: 0.5282095508022748
Energy: 0.5243547354904157
Energy: 0.5307830057997445
Energy: 1.27356791739627
Energy: 0.5307830057984316
Energy: 0.5239830545556383
Energy: 0.5240871679965473
Energy: 1.3755175484880695
Energy: 0.5240871679945779
Energy: 0.5331696863948041
Energy: 0.5279610644536304
Energy: 1.1707121589144747
Energy: 0.5279610644536304
Energy: 0.6483325318836577
Energy: 0.5290332892037785
Energy: 1.3725818486552013
Energy: 0.5290332892037785
Energy: 0.6359069917094916
Energy: 0.5234511579932859
Energy: 1.3764761078789343
Energy: 0.5234511579959116
Energy: 0.6498045930004048
Energy: 0.5277026214065774
Energy: 1.172119068743452
Energy: 0.5277026214065774
Energy: 0.8656146946870887
Energy: 0.5277049716929062
Energy: 1.1658987407677595
Energy: 0.5277049716942191
Energy: 0.8649751669061058
Energy: 0.5263961667696072
Energy: 1.2717186483491854
Energy: 0.5263961667682943
Energy: 0.8712639814274836
Energy: 0.7649470966006897
Energy: 0.9706111550030004
Energy: 0.7649470966000332
Energy: 1.0661951104550165
Energy: 0.9594440552913981
Energy: 1.2713550038425006
Energy: 0.9594440552920546
Energy: 0.8628656989810292
Energy: 0.577546635528153
Energy: 1.067905635884986
Energy: 0.5775466355301222
Energy: 1.0728134164752192
Energy: 0.9641485519119203
Energy: 0.9697298308438738
Energy: 0.9641485519119203
Energy: 1.068193775502053
Energy: 0.7640006478703519
Energy: 1.067428460954031
Energy: 0.7640006478710084
Energy: 1.0656594210706747
Energy: 0.7629738663446994
Energy: 0.865204660300139
Energy: 0.7629738663466687
Energy: 1.2757421926529253
Energy: 0.5253840351748389
Energy: 0.758900990470423
Energy: 0.5253840351787774
Energy: 1.0704561157653922
Energy: 0.5276542948318883
Energy: 0.8730774163519769
Energy: 0.5276542948318883
Energy: 1.268704014062088
Energy: 0.527921671952689
Energy: 0.6450405263729992
Energy: 0.5279216719500633
Energy: 1.3745849568032875
Energy: 0.5254878632618434
Energy: 0.6463371136241708
Energy: 0.5254878632592177
Energy: 1.266993971624202
Energy: 0.5303008036470492
Energy: 0.5376239284582115
Energy: 0.5303008036457364
Energy: 1.3752732777007386
Energy: 0.5264320838891156
Energy: 0.5278211292178334
Energy: 0.5264320838910848
Energy: 1.3687799383717547
Energy: 0.5269330306920454
Energy: 0.5291157849251924
Energy: 0.5269330306900762

minimum gb energy = 0.5234511579932859 eV
minimum distance =  2.28078527987727 Angstroms
sigma value = 85


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

Energy: 1.4354477274073394
Energy: 0.5087049197660971
Energy: 0.499161496104287
Energy: 0.4986800139480457
Energy: 1.4020215068736406
Energy: 0.47379623919248326
Energy: 0.5747411973936644
Energy: 0.47379623918963665
Energy: 1.2624788501378603
Energy: 0.4733381137481482
Energy: 0.5745446140149836
Energy: 0.47333811375156415
Energy: 1.0783078257030785
Energy: 0.4717682063508854
Energy: 0.7702226234263504
Energy: 0.4717682063508854
Energy: 1.3108903037411073
Energy: 0.47185274591828336
Energy: 0.7701286770029441
Energy: 0.4718527459188527
Energy: 1.0824270623114602
Energy: 0.47242652995186596
Energy: 0.7721364399007691
Energy: 0.4724265299478808
Energy: 1.081220764745931
Energy: 0.6975010096089242
Energy: 0.9504128189474675
Energy: 0.6975010096146174
Energy: 1.1316552831956213
Energy: 0.6969872477122168
Energy: 0.8140477042242136
Energy: 0.6969872477133555
Energy: 1.0838022894397437
Energy: 0.8839649597944983
Energy: 0.9514302112080949
Energy: 0.8839649597933598
Energy: 1.086094183735015
Energy: 0.891032516368464
Energy: 1.1309917579135012
Energy: 0.8910325163695768
Energy: 0.9517523468903177
Energy: 0.8905157666630558
Energy: 0.992366066836749
Energy: 0.8905157666619171
Energy: 0.9059984680076502
Energy: 0.47208337247594734
Energy: 1.1317035616229263
Energy: 0.4720833724731008
Energy: 0.9516233898521124
Energy: 0.47212898124890257
Energy: 1.1735140527701462
Energy: 0.4721289812500153
Energy: 0.7720424545918355
Energy: 0.47302049557819753
Energy: 0.9892348972865445
Energy: 0.4730204955628261
Energy: 0.7185550508670643
Energy: 0.47247569187988525
Energy: 1.3105596459259035
Energy: 0.47247569188102384
Energy: 0.772272023681067
Energy: 0.47299825976894316
Energy: 1.1726091970340238
Energy: 0.47299825976894316
Energy: 0.5722783075107174
Energy: 0.47336153897424715
Energy: 1.1705933875258503
Energy: 0.47336153896969263
Energy: 0.5729783718564434
Energy: 0.4723082943932593
Energy: 1.3619545593419895
Energy: 0.47230829439212074
Energy: 0.5722672802709023
Energy: 0.4721100689979676
Energy: 1.349700401273103
Energy: 0.4721100689985369
Energy: 0.5197025546336766
Energy: 0.4729816379295094
Energy: 1.3496874372365013
Energy: 0.4729816379295094
Energy: 0.52094204909854
Energy: 0.4697767421588864
Energy: 1.397347286848295
Energy: 0.46977674215774773
Energy: 0.5209232161124833
Energy: 0.46983264736721453
Energy: 1.2147047201716845
Energy: 0.46983264736721453
Energy: 0.6242880716700996
Energy: 0.46960152131245514
Energy: 1.3949331436220593
Energy: 0.46960152131302446
Energy: 0.6206000039939331
Energy: 0.4720381506059888
Energy: 1.3974395609828438
Energy: 0.4720381506059888
Energy: 0.6237003478427213
Energy: 0.4693335262431492
Energy: 1.0783735890844952
Energy: 0.4693335262425799
Energy: 0.7672626716612145
Energy: 0.47222608134133365
Energy: 1.401470574739278
Energy: 0.47222608134133365
Energy: 0.7665687922568399
Energy: 0.4717316805708091
Energy: 1.2635427528838346
Energy: 0.4717316805708091
Energy: 0.8787353680321229
Energy: 0.47192399741637275
Energy: 1.0812532181690195
Energy: 0.47192399741808067
Energy: 0.9545685692313896
Energy: 0.8018725521749094
Energy: 1.272356044215059
Energy: 0.8018725521749094
Energy: 0.9529178013597683
Energy: 0.8075089291935059
Energy: 1.0838323150906486
Energy: 0.8075089291929366
Energy: 1.1320770274880658
Energy: 0.8872094094637933
Energy: 0.9032055155996687
Energy: 0.8872094094643626
Energy: 0.9921950775229204
Energy: 0.8872491679842837
Energy: 1.1020651927345524
Energy: 0.8872491679808678
Energy: 1.1320775103646337
Energy: 0.7040101381113472
Energy: 0.9035565340719263
Energy: 0.7040101381107778
Energy: 1.3111093228840531
Energy: 0.6953960574777496
Energy: 0.9046323955379957
Energy: 0.6953960574766109
Energy: 0.9893587315710414
Energy: 0.4717783068852941
Energy: 0.7698156271645865
Energy: 0.47177830688757133
Energy: 1.3101234100164065
Energy: 0.4717604507552814
Energy: 0.7702999831929918
Energy: 0.4717604507535735
Energy: 1.3519199961154744
Energy: 0.4722694297690471
Energy: 0.771493102592819
Energy: 0.4722694297662005
Energy: 1.1705321862538838
Energy: 0.47180662959435365
Energy: 0.5756240200279348
Energy: 0.47180662959435365
Energy: 1.4024982645413229
Energy: 0.4718117252494461
Energy: 0.5737583911446719
Energy: 0.47181172524887677
Energy: 1.3497173848357586
Energy: 0.4718027694908926
Energy: 0.5757262937155726
Energy: 0.4718027694943085
Energy: 1.1677245261387537
Energy: 0.4719857779573109
Energy: 0.4747840831583599
Energy: 0.47198577795389496
Energy: 1.4031872280086877
Energy: 0.47186670230186384
Energy: 0.4724691425941986
Energy: 0.4718667023030024
Energy: 1.259403442617241
Energy: 0.4721178507185342
Energy: 0.4736058321913778
Energy: 0.4721178507173955

minimum gb energy = 0.4693335262425799 eV
minimum distance =  2.2730547428159 Angstroms
sigma value = 113


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

Energy: 0.014137044999649866
Energy: 0.015272937956458168
Energy: 1.1055669209172794
Energy: 0.4502227612712024
Energy: 0.014820125610830955
Energy: 0.11170357036731134
Energy: 0.7644075038628388
Energy: 0.11170357036731134
Energy: 0.014626074143129915
Energy: 0.11023535125131012
Energy: 0.7626518924234649
Energy: 0.11023535125303643
Energy: 0.01571029555569146
Energy: 0.10954611778413359
Energy: 0.7609053810662393
Energy: 0.10954611778328259
Energy: 0.7637887605695757
Energy: 0.11141840908496956
Energy: 0.7623052437021745
Energy: 0.11141840908496956
Energy: 0.014712720020915525
Energy: 0.11006671983501777
Energy: 0.7624969256156738
Energy: 0.11006671983458012

minimum gb energy = 0.014137044999649866 eV
minimum distance =  2.54014040744043 Angstroms
sigma value = 1