Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.070949114859104
cohesive_energy=3.369388139873114
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.012583884132373801
Energy: 0.730549828270767
Energy: 0.7069580503788683
Energy: 0.7306303451145769
Energy: 0.012583884131768058
Energy: 0.7305498282717541
Energy: 0.4147302020906784
Energy: 0.41441730462329335
Energy: 0.01326909357481076
Energy: 0.10804149479661605
Energy: 0.013387525000781548
Energy: 0.4144173046234952
Energy: 0.013269093574406933
Energy: 0.10804149479681796
Energy: 0.012583884132553281
Energy: 0.7305498282703631
Energy: 0.7069580503790703
Energy: 0.7306303451151602
Energy: 0.012583884131969973
Energy: 0.7305498282713502
Energy: 0.4147302020904765
Energy: 0.41441730462329335
Energy: 0.013269093574608846
Energy: 0.10804149479661605
Energy: 0.013387525000781548
Energy: 0.41441730462369714
Energy: 0.013269093574406933
Energy: 0.10804149479681796
Energy: 0.012583884132373801
Energy: 0.730549828270767
Energy: 0.7413148704253899
Energy: 0.7306303451147789
Energy: 0.012583884131969973
Energy: 0.7305498282703631
Energy: 0.4147302020906784
Energy: 0.41441730462329335
Energy: 0.01326909357481076
Energy: 0.10804149479681796
Energy: 0.013387525000781548
Energy: 0.4144173046234952
Energy: 0.013269093574406933
Energy: 0.10804149479661605

minimum gb energy = 0.012583884131768058 eV
minimum distance =  2.84835035512553 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.7044133852736714
Energy: 0.7272195027412762
Energy: 0.8033238809939723
Energy: 0.7265859589895848
Energy: 0.7044133852736714
Energy: 0.7272195027436881
Energy: 0.8047872572409229
Energy: 0.6736442330960711
Energy: 0.7085685789568976
Energy: 0.7565792411350934
Energy: 0.69228428007991
Energy: 0.6736442330936592
Energy: 0.7085685789593095
Energy: 0.7565792411375054
Energy: 0.6638255222565923
Energy: 0.67870305063884
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Energy: 0.67870305063884
Energy: 0.7879682810599435
Energy: 0.706525890935091
Energy: 0.7374336379076644
Energy: 0.7698384466960538
Energy: 0.6654411251893826
Energy: 0.706525890937503
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Energy: 0.664278864417784
Energy: 0.6568833633670126
Energy: 0.8230855486151097
Energy: 0.6817219191748213
Energy: 0.6642788642948181
Energy: 0.6568833633646006
Energy: 0.8193075543543696
Energy: 0.6846256993698434
Energy: 0.6977256666333391
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Energy: 0.7063764889351436
Energy: 0.6846256993770793
Energy: 0.6977256666309273
Energy: 0.7563009543145756
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Energy: 0.7028012222553697
Energy: 0.7939599818861353
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Energy: 0.8037943753899873
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Energy: 0.77413742609859
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Energy: 0.678541322170637
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Energy: 0.7537943877796969
Energy: 0.6849410298387331
Energy: 0.6653843998956069
Energy: 0.7029607203406089
Energy: 0.7537943877772849
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Energy: 0.7632860680340524
Energy: 0.6888352606120889
Energy: 0.7288497933307831
Energy: 0.7813659859916613
Energy: 0.6723155172930645
Energy: 0.6826164429878183
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Energy: 0.6793154508873743
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Energy: 0.7496136165512706
Energy: 0.6674621125903526
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Energy: 0.8117146718108774
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Energy: 0.6746078870536923
Energy: 0.7573799660374052
Energy: 0.7210896853453539
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Energy: 0.674607887005497
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Energy: 0.698098376750599
Energy: 0.6917545698919252
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Energy: 0.6853284810519263
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Energy: 0.8063619558651637
Energy: 0.7045369809376412
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Energy: 0.7722930989646424
Energy: 0.712441741134496
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Energy: 0.665257924334046
Energy: 0.6886770132047607
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Energy: 0.6976408015832549
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Energy: 0.7003611184592519
Energy: 0.6741559777696974
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Energy: 0.7901373400654916
Energy: 0.7008312052521191
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Energy: 0.7296612749339864
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Energy: 0.7373246538983336
Energy: 0.6892468012828142
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Energy: 0.6782309834274913
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Energy: 0.6857683160173823
Energy: 0.6790560054414204
Energy: 0.794263262525625
Energy: 0.6910633889466405
Energy: 0.6857683160173823
Energy: 0.6790560054462443
Energy: 0.7942632625304489
Energy: 0.7273086406962146
Energy: 0.6996785003558286
Energy: 0.7540250928839201
Energy: 0.6973573891116054
Energy: 0.7273086406985826
Energy: 0.6996785003461808
Energy: 0.7540250928863319
Energy: 0.6695038155309829
Energy: 0.6832718895868674
Energy: 0.7927502500549858
Energy: 0.7067562991795653
Energy: 0.6695038155333949
Energy: 0.6832718895820435
Energy: 0.7927502500525737
Energy: 0.654105805369085
Energy: 0.7026765202893218
Energy: 0.8017023078049654
Energy: 0.6894917210916661
Energy: 0.6541058053739089
Energy: 0.7026765202893218
Energy: 0.8017023078073774
Energy: 0.654399613520673
Energy: 0.7007678064931853
Energy: 0.8041044497457542
Energy: 0.7336095268349492
Energy: 0.6543996135230411
Energy: 0.7007678064931853
Energy: 0.8041044497481662
Energy: 0.6513653442074636
Energy: 0.7176357750861477
Energy: 0.7618043592544774
Energy: 0.6641582043212885
Energy: 0.6513653442050515
Energy: 0.7176357750933836
Energy: 0.7618043589289947

minimum gb energy = 0.6503629488763863 eV
minimum distance =  2.49550860457999 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.675938229633516
Energy: 0.6983789408030052
Energy: 0.7877313640142432
Energy: 0.7009354044072937
Energy: 0.6759382296324209
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Energy: 0.6675249240434015
Energy: 0.6647735377957005
Energy: 0.7980807262787776
Energy: 0.6836011068351742
Energy: 0.7076380066974326
Energy: 0.8231640919374624
Energy: 0.6841680188782224
Energy: 0.6836011068324362
Energy: 0.7076380066698055
Energy: 0.8193661062429227
Energy: 0.6597409262980806
Energy: 0.7107540472854644
Energy: 0.7834536779709838
Energy: 0.6791380878675367
Energy: 0.659740926298628
Energy: 0.7107540472860119
Energy: 0.7834536779726265
Energy: 0.6716770595284938
Energy: 0.73945904264905
Energy: 0.7737848522370617
Energy: 0.6835081046989142
Energy: 0.6716770595284938
Energy: 0.7394590426479549
Energy: 0.7737848522261105
Energy: 0.6701848154103766
Energy: 0.6975558105037436
Energy: 0.7868782851315292
Energy: 0.6961286590814377
Energy: 0.6701848154092813
Energy: 0.6975558105103142
Energy: 0.7868782851284929
Energy: 0.68893641607848
Energy: 0.6658787797364907
Energy: 0.7963689283039842
Energy: 0.6957870017939743
Energy: 0.68893641607848
Energy: 0.6658787797340018
Energy: 0.7963689283042332
Energy: 0.6539535109747269
Energy: 0.7128196100824427
Energy: 0.7734583040738545
Energy: 0.6985068549444822
Energy: 0.6539535109714414
Energy: 0.7128196100818951
Energy: 0.773458304505684
Energy: 0.6472360934078445
Energy: 0.6983789237681648
Energy: 0.779553186777893
Energy: 0.7009354044374098
Energy: 0.6472360934051067
Energy: 0.6983789383438918
Energy: 0.7795531867822735
Energy: 0.667687296812317
Energy: 0.697781051439938
Energy: 0.7372892446367952
Energy: 0.6923530473752407
Energy: 0.6676872968095793
Energy: 0.6977810514396892
Energy: 0.7372892446381392

minimum gb energy = 0.6472360934048079 eV
minimum distance =  2.55828208660548 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.7348553402451048
Energy: 0.7018749723898046
Energy: 0.8245974906263048
Energy: 0.7015190188754373
Energy: 0.7348553402460531
Energy: 0.7018749724252119
Energy: 0.7983755824143995
Energy: 0.7408725141161324
Energy: 0.7286891086076321
Energy: 0.7801170687063428
Energy: 0.7247958130610633
Energy: 0.7408725141164486
Energy: 0.7286891086073162
Energy: 0.7801170687076073
Energy: 0.6953352368785258
Energy: 0.7041820899131975
Energy: 0.7879040767058813
Energy: 0.7299662161466434
Energy: 0.695335236879158
Energy: 0.7041820899131975
Energy: 0.8077203479470793
Energy: 0.6712528913633444
Energy: 0.6902321634820306
Energy: 0.7737098299590911
Energy: 0.6738076948774676
Energy: 0.6712528913623961
Energy: 0.6902321634776046
Energy: 0.7737098299590911
Energy: 0.6999297061001143
Energy: 0.70824607735003
Energy: 0.8042558360334366
Energy: 0.6954571157038745
Energy: 0.6999297061004304
Energy: 0.7082460773525591
Energy: 0.8114696413866507
Energy: 0.688567597898559
Energy: 0.70314777452118
Energy: 0.8204831082654005
Energy: 0.7059775613168916
Energy: 0.6885675978988752
Energy: 0.7031477745218122
Energy: 0.8204831082660327
Energy: 0.6901105442703103
Energy: 0.7359054410056026
Energy: 0.793056927510831
Energy: 0.7463908255400055
Energy: 0.6901105442722071
Energy: 0.7359054410052864
Energy: 0.7994531163415894
Energy: 0.6913507479936623
Energy: 0.6823208088580108
Energy: 0.8238785325878759
Energy: 0.6633466680841071
Energy: 0.6913507479936623
Energy: 0.6823208134630014
Energy: 0.8238785325894565
Energy: 0.6702888786227711
Energy: 0.6634394500631219
Energy: 0.8172437416158281
Energy: 0.731875651736673
Energy: 0.6702888786234035
Energy: 0.6634394501127554
Energy: 0.8172437416145636
Energy: 0.6855530466018673
Energy: 0.7365660813815822
Energy: 0.8132521911764449
Energy: 0.7447335433829629
Energy: 0.6855530466009191
Energy: 0.7365660813806337
Energy: 0.8132521911761287
Energy: 0.7139393373658306
Energy: 0.7277611735905783
Energy: 0.8018660479086968
Energy: 0.696706527898294
Energy: 0.7139393373658306
Energy: 0.7277611735915267
Energy: 0.8018660478546661
Energy: 0.7129575107666688
Energy: 0.7400206990567565
Energy: 0.8007806890382592
Energy: 0.7249644569420489
Energy: 0.7129575107676173
Energy: 0.7400206990573885
Energy: 0.8007806890382592
Energy: 0.7067196500489303
Energy: 0.7144200797658452
Energy: 0.7622222553336694
Energy: 0.6955414570748032
Energy: 0.7067196500492464
Energy: 0.7144200797661613
Energy: 0.7622222553339857
Energy: 0.6607294442965805
Energy: 0.6969197692807072
Energy: 0.7968074186851248
Energy: 0.6967476179085724
Energy: 0.6607294442968966
Energy: 0.6969197692819717
Energy: 0.7968074186844926
Energy: 0.6952694083704591
Energy: 0.6896693947782079
Energy: 0.7596947816996997
Energy: 0.7106873691934229
Energy: 0.6952694083698268
Energy: 0.6896693945383463
Energy: 0.7596947816952738
Energy: 0.713358554273409
Energy: 0.7250115716227278
Energy: 0.8006193715187573
Energy: 0.7408525077594607
Energy: 0.713358554274961
Energy: 0.7250115716233599
Energy: 0.8006193715187573
Energy: 0.7141929153528734
Energy: 0.7074636473101962
Energy: 0.8204563573445186
Energy: 0.7271010836182494
Energy: 0.7141929153528734
Energy: 0.7074636473101962
Energy: 0.8204563573448348
Energy: 0.6889629837332324
Energy: 0.7429358041623967
Energy: 0.8194870944185266
Energy: 0.7383315010508784
Energy: 0.6889629837329163
Energy: 0.7429358041620806
Energy: 0.8194870944182107
Energy: 0.6691240335428292
Energy: 0.7303489785206647
Energy: 0.7977673077989257
Energy: 0.6633414993441775
Energy: 0.6691240335418809
Energy: 0.730348978521297
Energy: 0.7977673077982933
Energy: 0.6911700648314313
Energy: 0.6636096272980396
Energy: 0.8221332512642997
Energy: 0.7083153546075726
Energy: 0.6911700648320637
Energy: 0.6636096272967751
Energy: 0.8221332512668288
Energy: 0.6892831285472871
Energy: 0.7461960345637727
Energy: 0.7625461726282051
Energy: 0.736837809230357
Energy: 0.6892831285466551
Energy: 0.7461960345631404
Energy: 0.791125770092131
Energy: 0.6887053109222279
Energy: 0.7079015436805878
Energy: 0.8169163556580223
Energy: 0.6876571964791761
Energy: 0.68870531092286
Energy: 0.7079015436777425
Energy: 0.8169163556564415
Energy: 0.7002402840960782
Energy: 0.7083319295142276
Energy: 0.8323862412664271
Energy: 0.7088403872031787
Energy: 0.7002402840963943
Energy: 0.7083319295154922
Energy: 0.8323862412721177
Energy: 0.6810766015489224
Energy: 0.698547680768708
Energy: 0.7718961498070861
Energy: 0.6948532757782937
Energy: 0.6810766015505032
Energy: 0.6985476807693403
Energy: 0.7718961498070861
Energy: 0.697006179003591
Energy: 0.7287649512587472
Energy: 0.8173646033103983
Energy: 0.7008594131603315
Energy: 0.6970061790051716
Energy: 0.7287649512590633
Energy: 0.8080232860129551
Energy: 0.7295914523736297
Energy: 0.7246617147651816
Energy: 0.7799405825801212
Energy: 0.7290152343900995
Energy: 0.729591452374578
Energy: 0.7246617147664463
Energy: 0.7799405825804374
Energy: 0.7348553402451048
Energy: 0.701874972503269
Energy: 0.8295841209284327
Energy: 0.7015190181796205
Energy: 0.7348553402451048
Energy: 0.7018749725335894
Energy: 0.7983755824077606
Energy: 0.7308783241121066
Energy: 0.7401470488805836
Energy: 0.7801170687066589
Energy: 0.7247958126916433
Energy: 0.7308783241117907
Energy: 0.7401470488805836
Energy: 0.7801170687057104
Energy: 0.7017220002676906
Energy: 0.7041820899128813
Energy: 0.816533394819254
Energy: 0.6922402827127496
Energy: 0.7017220002680067
Energy: 0.7041820899138297
Energy: 0.8165333948148282
Energy: 0.671252891362712
Energy: 0.6902321634984696
Energy: 0.7737098299590911
Energy: 0.673807694938137
Energy: 0.6712528913604991
Energy: 0.6902321635284739
Energy: 0.7737098299606717
Energy: 0.699929706099798
Energy: 0.708246077341523
Energy: 0.8151926088429634
Energy: 0.695457116035042
Energy: 0.6999297060994819
Energy: 0.7082460773462363
Energy: 0.8094635529703343
Energy: 0.6885675978988752
Energy: 0.6871918187595567
Energy: 0.8204831082666649
Energy: 0.703744629021978
Energy: 0.6885675978976106
Energy: 0.6871918187526015
Energy: 0.8204831082666649
Energy: 0.6901105442722071
Energy: 0.7369769177954422
Energy: 0.7788265278285293
Energy: 0.7463908255400055
Energy: 0.6901105442712587
Energy: 0.7369769177954422
Energy: 0.7788265278013417
Energy: 0.6913507479927137
Energy: 0.682320799890334
Energy: 0.8238785325897726
Energy: 0.663346668053758
Energy: 0.69135074799303
Energy: 0.6823208033242681
Energy: 0.8238785325910373
Energy: 0.6760820646676288
Energy: 0.6634394502957123
Energy: 0.8250111930349472
Energy: 0.7318756517350924
Energy: 0.676082064668261
Energy: 0.6634394503367812
Energy: 0.8172437416158281
Energy: 0.6855530466009191
Energy: 0.7365660813796853
Energy: 0.8173815099050462
Energy: 0.7447335433842275
Energy: 0.6855530466024996
Energy: 0.7365660813803176
Energy: 0.8173815099056786

minimum gb energy = 0.6607294442965805 eV
minimum distance =  2.52262892135511 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.6972373523472777
Energy: 0.6998869824958106
Energy: 0.7520456012710766
Energy: 0.7467211582314264
Energy: 0.6972373523435466
Energy: 0.6998869762241269
Energy: 0.7050571801784774
Energy: 0.6925400036022228
Energy: 0.7527206434361008
Energy: 0.7832150935796419
Energy: 0.724315583672041
Energy: 0.6925400036011033
Energy: 0.7527206434364738
Energy: 0.7832150935803881
Energy: 0.7001711986243304
Energy: 0.6616754582808887
Energy: 0.798343939659
Energy: 0.7281598695161987
Energy: 0.7001711986269084
Energy: 0.6616754582812617
Energy: 0.7983439396578808
Energy: 0.6807236756350142
Energy: 0.7382602384548806
Energy: 0.7627762192332841
Energy: 0.7203330667035202
Energy: 0.6807236756309101
Energy: 0.7382602384548806
Energy: 0.7627762192344033
Energy: 0.6887870929197873
Energy: 0.7675534334764427
Energy: 0.7674028451864637
Energy: 0.728410271924563
Energy: 0.6887870929209067
Energy: 0.7675534334790545
Energy: 0.7567055059707894
Energy: 0.6863632479121606
Energy: 0.7236434613143548
Energy: 0.8430228563047276
Energy: 0.792909231785088
Energy: 0.6863632479129068
Energy: 0.7236434613147279
Energy: 0.8430228563047276
Energy: 0.7258175615542235
Energy: 0.7687011809912868
Energy: 0.6906049405076107
Energy: 0.7854341714902563
Energy: 0.7258175615553429
Energy: 0.7687011809927793
Energy: 0.6743247136944724
Energy: 0.6800874241512329
Energy: 0.6982693954233472
Energy: 0.723901938917587
Energy: 0.7130991225106861
Energy: 0.6800874241530984
Energy: 0.6982693954211087
Energy: 0.723901938913856
Energy: 0.7258230167542858
Energy: 0.7856613669889031
Energy: 0.7690598712384248
Energy: 0.7248233971157176
Energy: 0.7258230167535397
Energy: 0.78566136698853
Energy: 0.769059871239544
Energy: 0.6876653636890793
Energy: 0.7921452768647175
Energy: 0.7606787181962186
Energy: 0.7282443020953417
Energy: 0.6876653636890793
Energy: 0.7921452768677023
Energy: 0.7606787181950992
Energy: 0.6888475497061233
Energy: 0.7262041080006794
Energy: 0.7869151229449654
Energy: 0.7627208681112072
Energy: 0.6888475497046308
Energy: 0.7262041080014255
Energy: 0.7010019731298385
Energy: 0.6881097080942161
Energy: 0.7206859973887227
Energy: 0.7650622278636925
Energy: 0.730369832644527
Energy: 0.6881097080960815
Energy: 0.720685997389842
Energy: 0.7650622278640656
Energy: 0.762973649327817
Energy: 0.7264817115155027
Energy: 0.7384472894582645
Energy: 0.6612023934200306
Energy: 0.7629736493308017
Energy: 0.7264817115155027
Energy: 0.7335110591919642
Energy: 0.6920428142838918
Energy: 0.7124481320478384
Energy: 0.786234660052313
Energy: 0.7068767343251784
Energy: 0.6920428142846381
Energy: 0.7124481320299296
Energy: 0.7862346600515667
Energy: 0.6972373523424273
Energy: 0.6998869612074626
Energy: 0.7511951532830912
Energy: 0.7467211582325457
Energy: 0.6972373523368308
Energy: 0.6998869566341417
Energy: 0.7050571801460175
Energy: 0.6925400036025958
Energy: 0.752720643437593
Energy: 0.7832150935792688
Energy: 0.7243155836858458
Energy: 0.6925400036011033
Energy: 0.7527206434361008
Energy: 0.783215093580015
Energy: 0.7001711986247037
Energy: 0.6616754582805155
Energy: 0.7983439396597461
Energy: 0.7281598695173178
Energy: 0.7001711986276545
Energy: 0.6616754582805155
Energy: 0.7983439396586269
Energy: 0.680723675521625
Energy: 0.7382602384552537
Energy: 0.7627762192336572
Energy: 0.7203330667035202
Energy: 0.680723675507481
Energy: 0.7382602384563731
Energy: 0.7627762192340303
Energy: 0.6887870929209067
Energy: 0.7675534334768158
Energy: 0.7567055059734012
Energy: 0.728410271924936
Energy: 0.6887870929212797
Energy: 0.7675534334790545
Energy: 0.813873034413805
Energy: 0.6863632479129068
Energy: 0.7236434613158472
Energy: 0.8430228563047276
Energy: 0.7929092317847148
Energy: 0.6863632479117875
Energy: 0.7236434613158472
Energy: 0.8430228563047276
Energy: 0.7258175615542235
Energy: 0.76870118099166
Energy: 0.6743247136937264
Energy: 0.7854341714910025
Energy: 0.7258175615553429
Energy: 0.7687011809927793
Energy: 0.6831333825438914
Energy: 0.6800874241527254
Energy: 0.698269395422601
Energy: 0.7239019388243453
Energy: 0.7130991225106861
Energy: 0.6800874241508598
Energy: 0.6982693954214817
Energy: 0.7239019388862803
Energy: 0.7258230167550321
Energy: 0.78566136698853
Energy: 0.769059871239171
Energy: 0.7248233971153446
Energy: 0.7258230167539128
Energy: 0.7856613669881569
Energy: 0.7803513302520692
Energy: 0.6876653636894523
Energy: 0.7921452768650905
Energy: 0.7606787181988304
Energy: 0.7282443020964611
Energy: 0.6876653636894523
Energy: 0.792145276866583
Energy: 0.7606787181992034
Energy: 0.6888475497046308
Energy: 0.7262041080006794
Energy: 0.7822534782499786
Energy: 0.7627208681085955
Energy: 0.6888475497050041
Energy: 0.7262041080006794
Energy: 0.7010019731302115
Energy: 0.6881097080934698
Energy: 0.720685997389842
Energy: 0.7650622278636925
Energy: 0.7303698326441539
Energy: 0.6881097080960815
Energy: 0.7206859973883496
Energy: 0.7650622278640656
Energy: 0.7629736493281901
Energy: 0.7264817115155027
Energy: 0.7335522074015842
Energy: 0.6612023934204038
Energy: 0.7629736493304285
Energy: 0.7264817115158757
Energy: 0.7335685599661794
Energy: 0.6920428142838918
Energy: 0.7124481326381884
Energy: 0.786234660052313
Energy: 0.7068767344195055
Energy: 0.6920428142846381
Energy: 0.7124481323428269
Energy: 0.7862346600515667
Energy: 0.6972373523428004
Energy: 0.6998869420269406
Energy: 0.7050571801310935
Energy: 0.7467211582314264
Energy: 0.6972373523405619
Energy: 0.6998869429965662
Energy: 0.705057180129601
Energy: 0.6925400036029689
Energy: 0.752720643436847
Energy: 0.7832150935796419
Energy: 0.7243155836981582
Energy: 0.6925400036022228
Energy: 0.7527206434364738
Energy: 0.7832150935807611

minimum gb energy = 0.6612023934200306 eV
minimum distance =  2.52601436720861 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.6957981303793985
Energy: 0.7929449273889685
Energy: 0.8285083284595391
Energy: 0.7945484664217447
Energy: 0.6957981303793985
Energy: 0.7929449273871568
Energy: 0.8285083284618039
Energy: 0.7942802972851901
Energy: 0.7375924896051955
Energy: 0.7340474021533392
Energy: 0.732171649106312
Energy: 0.7942802972860958
Energy: 0.7375924896047426
Energy: 0.7340474021537922
Energy: 0.728421099652093
Energy: 0.7224252402605207
Energy: 0.8250630462326691
Energy: 0.7756819899879444
Energy: 0.7284210996516401
Energy: 0.7224252402559915
Energy: 0.8250630462322164
Energy: 0.7816564318095646
Energy: 0.7288323801355485
Energy: 0.7991372376170509
Energy: 0.6967767178973914
Energy: 0.7816564318086586
Energy: 0.7288323801355485
Energy: 0.7991372376170509
Energy: 0.7093254701001627
Energy: 0.7624990390598875
Energy: 0.8258494235296827
Energy: 0.7473750676304005
Energy: 0.7093254701010686
Energy: 0.7624990390612464
Energy: 0.7482873461000015
Energy: 0.7925130455029006
Energy: 0.7320553417039496
Energy: 0.8335521281634042
Energy: 0.712725618949915
Energy: 0.7925130455019949
Energy: 0.7320553417039496
Energy: 0.8335521281634042
Energy: 0.7248179188883425
Energy: 0.7676486523084344
Energy: 0.7378016224949611
Energy: 0.738384078200606
Energy: 0.7248179207422645
Energy: 0.7676486523075284
Energy: 0.737801622495414
Energy: 0.7479132661147327
Energy: 0.7800487075100594
Energy: 0.8168446103599676
Energy: 0.7122601406022868
Energy: 0.7479132661147327
Energy: 0.7800487075105124
Energy: 0.8168446103613265
Energy: 0.7251380009525571
Energy: 0.7213782811779541
Energy: 0.7962740261200416
Energy: 0.7778918450220473
Energy: 0.7251380010132289
Energy: 0.7213782811711602
Energy: 0.7962740285176845
Energy: 0.755771956345135
Energy: 0.6991195476370395
Energy: 0.7459791719565974
Energy: 0.7467290937850943
Energy: 0.7557719563446822
Energy: 0.6991195476184694
Energy: 0.7459791719565974
Energy: 0.7621515512687488
Energy: 0.7373926108301184
Energy: 0.8379019460723771
Energy: 0.693254843848948
Energy: 0.7621515512673901
Energy: 0.7373926108292125
Energy: 0.7878053322880046
Energy: 0.6979919229968145
Energy: 0.7559331825775336
Energy: 0.7763855400962328
Energy: 0.7706860856823452
Energy: 0.6979919229959086
Energy: 0.755933182446246
Energy: 0.7763855400957799
Energy: 0.7595145348148656
Energy: 0.7521330292837155
Energy: 0.7485264476898124
Energy: 0.7278405749005302
Energy: 0.7595145348148656
Energy: 0.7521330292828096
Energy: 0.7485264476893593
Energy: 0.6927386395804085
Energy: 0.7527744891432072
Energy: 0.8488244531611118
Energy: 0.7617417656379017
Energy: 0.6927386395808613
Energy: 0.7527744891427542
Energy: 0.8488244531593001
Energy: 0.7601758321030795
Energy: 0.7510497980525873
Energy: 0.7353082827710739
Energy: 0.7276558252387244
Energy: 0.7601758090479086
Energy: 0.7510497980530402
Energy: 0.7353082827724327
Energy: 0.727487224162639
Energy: 0.7629719886439822
Energy: 0.7945535262496383
Energy: 0.7162671189372712
Energy: 0.7274872241630921
Energy: 0.762971988645341
Energy: 0.7945535262491853
Energy: 0.7747714507666497
Energy: 0.7260770472757061
Energy: 0.769266714489994
Energy: 0.722768885212106
Energy: 0.7747714507657437
Energy: 0.7260770472748002
Energy: 0.769266714489994
Energy: 0.720693765137047
Energy: 0.7367340317819202
Energy: 0.7654510487898967
Energy: 0.7855254976512162
Energy: 0.720693765137047
Energy: 0.7367340317819202
Energy: 0.7654510487885378
Energy: 0.7597022215200071
Energy: 0.7211314721413377
Energy: 0.8110308749215782
Energy: 0.7071095321657324
Energy: 0.7597022215191014
Energy: 0.7211314721413377
Energy: 0.8110308749220312
Energy: 0.6873262588664059
Energy: 0.7735164685931348
Energy: 0.7758835925466959
Energy: 0.7733126253929336
Energy: 0.6873262588682176
Energy: 0.7735164685931348
Energy: 0.77588359254579
Energy: 0.7079156001257058
Energy: 0.7021346827125841
Energy: 0.8080108008325578
Energy: 0.7206251447077842
Energy: 0.7079155994887225
Energy: 0.7021346827125841
Energy: 0.8080108008330108
Energy: 0.7247907658171872
Energy: 0.7861204237583028
Energy: 0.7615118491047964
Energy: 0.7183159295099125
Energy: 0.7247907658167343
Energy: 0.7861204237601146
Energy: 0.7615118491061552
Energy: 0.7720010939569409
Energy: 0.7290911240050136
Energy: 0.7668984115213338
Energy: 0.7263826239812521
Energy: 0.7720010939569409
Energy: 0.7290911240054666
Energy: 0.7668984115213338
Energy: 0.7275588660023332
Energy: 0.7139512114691324
Energy: 0.7955894769325347
Energy: 0.7632677947811595
Energy: 0.7275588660027863
Energy: 0.7139512114682265
Energy: 0.7955894769162292
Energy: 0.7804098901422842
Energy: 0.739722496581436
Energy: 0.7734440714097884
Energy: 0.7510654286857403
Energy: 0.7804098901422842
Energy: 0.7397224965809829
Energy: 0.7734440714097884

minimum gb energy = 0.6873262588664059 eV
minimum distance =  2.52175016992363 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.7465589625133064
Energy: 0.7453655076164512
Energy: 0.7446847670932839
Energy: 0.7450877439650774
Energy: 0.7465589625130308
Energy: 0.7453655076157157
Energy: 0.7676826322753444
Energy: 0.7641444759870691
Energy: 0.7421675156180177
Energy: 0.7694100605498344
Energy: 0.7417106500398981
Energy: 0.7641444759858281
Energy: 0.7421675156147086
Energy: 0.7694100605669774
Energy: 0.7552571868417608
Energy: 0.739842457124582
Energy: 0.7474331591266765
Energy: 0.7362921735524116
Energy: 0.7552571868442886
Energy: 0.7398424571263285
Energy: 0.7474331591347655
Energy: 0.7190736173691819
Energy: 0.7428950301649463
Energy: 0.8370695053011433
Energy: 0.7506624369454166
Energy: 0.7190736173671595
Energy: 0.7428950301649463
Energy: 0.8370695052986155
Energy: 0.7702873932162415
Energy: 0.7120391488408111
Energy: 0.7232141038254458
Energy: 0.7173647968127701
Energy: 0.7702873932154601
Energy: 0.7120391488395702
Energy: 0.7313582231565803
Energy: 0.7338777961540767
Energy: 0.7347496853752367
Energy: 0.825501397601392
Energy: 0.7121566712603886
Energy: 0.7338777961525601
Energy: 0.7347496853742256
Energy: 0.8255013976031844
Energy: 0.7557255577050084
Energy: 0.7267825395795159
Energy: 0.7153016726515066
Energy: 0.7205601293967195
Energy: 0.755725557699677
Energy: 0.726782539580527
Energy: 0.7153016727692101
Energy: 0.7254416163331355
Energy: 0.7468011525255954
Energy: 0.782956048829155
Energy: 0.7334990219481403
Energy: 0.7254416163369042
Energy: 0.746801152527112
Energy: 0.7829560488283736
Energy: 0.7578737133807852
Energy: 0.7107137440943657
Energy: 0.7916340167165705
Energy: 0.7228320072635687
Energy: 0.7578737133858409
Energy: 0.7107137440893101
Energy: 0.791634016718363
Energy: 0.7335675577189663
Energy: 0.7461952964666749
Energy: 0.7872518744831264
Energy: 0.7414261211397226
Energy: 0.733567557717955
Energy: 0.7461952964641472
Energy: 0.7872518744811041
Energy: 0.7478267910653643
Energy: 0.730637750353723
Energy: 0.7965956936534327
Energy: 0.723767871145651
Energy: 0.74782679106587
Energy: 0.7306377503676029
Energy: 0.7965956936544438
Energy: 0.7326912172133961
Energy: 0.7276173615520516
Energy: 0.8071701970162507
Energy: 0.7370013825561506
Energy: 0.7326912172108684
Energy: 0.7276173615522814
Energy: 0.8071701970177674
Energy: 0.7579377072025045
Energy: 0.7243726134865489
Energy: 0.7643921491847071
Energy: 0.741582814808079
Energy: 0.7579377072007581
Energy: 0.7243726134868247
Energy: 0.7643921491804329
Energy: 0.7545942831182766
Energy: 0.7749526863697304
Energy: 0.8125298479008123
Energy: 0.7446749390290458
Energy: 0.7545942831192877
Energy: 0.774952686367708
Energy: 0.8125298479010421
Energy: 0.7610395424289466
Energy: 0.733620529941105
Energy: 0.8092765409701032
Energy: 0.7371972970676154
Energy: 0.7610395424302334
Energy: 0.7336205299451495
Energy: 0.8092765409721254
Energy: 0.755617717528661
Energy: 0.7485554573727944
Energy: 0.7735611334029658
Energy: 0.7376512290033242
Energy: 0.7556177175284312
Energy: 0.7485554572878603
Energy: 0.7735611333989214
Energy: 0.7662699620094678
Energy: 0.7244744493626264
Energy: 0.8012587950310673
Energy: 0.7252562701093969
Energy: 0.7662699620112144
Energy: 0.7244744493497117
Energy: 0.8114902151209277
Energy: 0.7290624935170956
Energy: 0.7407167671243766
Energy: 0.7847444921936184
Energy: 0.7432362971006441
Energy: 0.7290624935188882
Energy: 0.7407167671256176
Energy: 0.7847444921908608
Energy: 0.7630044021750942
Energy: 0.7338156436221037
Energy: 0.7715369177647222
Energy: 0.741034589288021
Energy: 0.7630044021745886
Energy: 0.7338156436145203
Energy: 0.7804304151573221
Energy: 0.7433462938164058
Energy: 0.7435696708886196
Energy: 0.8125916112563928
Energy: 0.7344579582523281
Energy: 0.7433462938209559
Energy: 0.7435696708855863
Energy: 0.8125916112581852
Energy: 0.7530809047870459
Energy: 0.7082614151523303
Energy: 0.7671884691680415
Energy: 0.7594875297659471
Energy: 0.7530809047794625
Energy: 0.7082614151498026
Energy: 0.7671884691690527
Energy: 0.7392033896458411
Energy: 0.7308423719890265
Energy: 0.7497579708908074
Energy: 0.736582315706078
Energy: 0.7392033896476334
Energy: 0.7308423719913243
Energy: 0.7497579708941164
Energy: 0.7558044966579854
Energy: 0.6951723250215244
Energy: 0.8061079023027437
Energy: 0.7519208404538243
Energy: 0.7558044966592264
Energy: 0.6951723250298889
Energy: 0.8061079023052714
Energy: 0.7418787356642239
Energy: 0.7234602971984976
Energy: 0.7531746931771864
Energy: 0.7219011385119212
Energy: 0.7418787356654648
Energy: 0.7234602972002901
Energy: 0.7531746931743828
Energy: 0.7431473139002587
Energy: 0.7355102893084713
Energy: 0.7943053487495361
Energy: 0.7639607408745486
Energy: 0.7431473138977308
Energy: 0.7355102893125158
Energy: 0.7883589416776634
Energy: 0.7342098638585948
Energy: 0.7547857267097681
Energy: 0.7799527666271769
Energy: 0.7278551650864534
Energy: 0.7342098638593301
Energy: 0.7547857267059994
Energy: 0.7799527666236381
Energy: 0.7838509162351647
Energy: 0.746110173275197
Energy: 0.7391121880919707
Energy: 0.7710659785127948
Energy: 0.7838509162356704
Energy: 0.7461101732746913
Energy: 0.7676431948669086
Energy: 0.7151344087576146
Energy: 0.7692924109535018
Energy: 0.8163147461484278
Energy: 0.737206146130914
Energy: 0.7151344087573848
Energy: 0.7692924109522609
Energy: 0.8163147461474166
Energy: 0.7754586496284517
Energy: 0.7246466865626852
Energy: 0.7908276512841644
Energy: 0.7701951578506011
Energy: 0.7754586496309794
Energy: 0.7246466865611684
Energy: 0.7908276512859568
Energy: 0.7125732938294224
Energy: 0.7581499241973815
Energy: 0.7461236599890501
Energy: 0.7489145101145029
Energy: 0.7125732938302037
Energy: 0.7581499241988983
Energy: 0.7461236599961278
Energy: 0.7407181452331034
Energy: 0.723823142875202
Energy: 0.7990790394697496
Energy: 0.750796909079464
Energy: 0.7407181452393999
Energy: 0.7238231428779597
Energy: 0.7990790394735182
Energy: 0.7237738299923991
Energy: 0.7129374994107133
Energy: 0.7237268200734729
Energy: 0.7212407976708846
Energy: 0.7237738299921235
Energy: 0.7129374994157689
Energy: 0.7237268200797695
Energy: 0.7459634443159979
Energy: 0.6879929607510646
Energy: 0.751555107649768
Energy: 0.729688205751766
Energy: 0.7459634443157681
Energy: 0.6879929607540981
Energy: 0.7515551088289625
Energy: 0.7441009669659947
Energy: 0.7144158917690345
Energy: 0.7530207729606693
Energy: 0.7125247828790676
Energy: 0.7441009669657649
Energy: 0.714415891768529
Energy: 0.7530207729642082
Energy: 0.7288919631520396
Energy: 0.6934271987551002
Energy: 0.7504759938581816
Energy: 0.7496196731845434
Energy: 0.7288919631558084
Energy: 0.6934271987584091
Energy: 0.7504759900360599
Energy: 0.7465101096417569
Energy: 0.7219983838616102
Energy: 0.7214939223629205
Energy: 0.6948843140704226
Energy: 0.746510109648559
Energy: 0.7219983838616102
Energy: 0.7214939223831428
Energy: 0.7437638745598097
Energy: 0.702587683316477
Energy: 0.7702178443020208
Energy: 0.7356120297651113
Energy: 0.743763874547906
Energy: 0.7025876833184533
Energy: 0.7702178443020208
Energy: 0.7492125308623503
Energy: 0.7347302618515605
Energy: 0.7625072182125986
Energy: 0.6968040781234479
Energy: 0.7492125308618447
Energy: 0.7347302618467346
Energy: 0.7625072182128743
Energy: 0.7502177603954493
Energy: 0.7139093370958276
Energy: 0.7948500364266844
Energy: 0.723476273596447
Energy: 0.7502177603972416
Energy: 0.7139093370985852
Energy: 0.7948500366881965
Energy: 0.7526090409542578
Energy: 0.7514433648950706
Energy: 0.7667963263507656
Energy: 0.7329555290459205
Energy: 0.7526090409522357
Energy: 0.7514433648915316
Energy: 0.7667963263502601
Energy: 0.7572500130074994
Energy: 0.7455361343121467
Energy: 0.8084184119333032
Energy: 0.742871640398364
Energy: 0.7572500130037307
Energy: 0.7455361343081024
Energy: 0.8084184119236976
Energy: 0.7548038494856157
Energy: 0.7330543427916921
Energy: 0.8169585234133883
Energy: 0.7384571808070334
Energy: 0.7548038494876379
Energy: 0.7330543427911865
Energy: 0.8169585234113662
Energy: 0.7528111692875892
Energy: 0.735479351106004
Energy: 0.7743065302380285
Energy: 0.7572033698162857
Energy: 0.7528111692870836
Energy: 0.735479351108256
Energy: 0.7743065302347194
Energy: 0.7664495219202653
Energy: 0.7225321870006782
Energy: 0.8039087310602645
Energy: 0.7136690647678293
Energy: 0.7664495219220576
Energy: 0.7225321869978747
Energy: 0.8039087310597589
Energy: 0.7279191891800644
Energy: 0.7241527843846586
Energy: 0.7736776606186515
Energy: 0.7355726453926245
Energy: 0.7279191891755143
Energy: 0.7241527843856697
Energy: 0.7736776606181459

minimum gb energy = 0.6879929607510646 eV
minimum distance =  2.50958701483356 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.7135751536148193
Energy: 0.7206332964297254
Energy: 0.5708793833265218
Energy: 0.7206332964297254
Energy: 0.7135751536153891
Energy: 0.7206332964308652
Energy: 0.7186274709430766
Energy: 0.7135751536153891
Energy: 0.7206332964302953
Energy: 0.8245777893010686
Energy: 0.7206332964302953
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.713575153615959
Energy: 0.7206332964297254
Energy: 0.7608076362016718
Energy: 0.7206332964297254
Energy: 0.7135751536142493
Energy: 0.7206332964302953
Energy: 0.7196026551383036
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.570879314061412
Energy: 0.7206332964297254
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.7135751536148193
Energy: 0.7206332964302953
Energy: 0.6031799170198133
Energy: 0.7206332964302953
Energy: 0.713575153615959
Energy: 0.7206332964297254
Energy: 0.7186274709436464
Energy: 0.713575153615959
Energy: 0.7206332964297254
Energy: 0.6482374686850714
Energy: 0.7206332964291554
Energy: 0.7135751536148193
Energy: 0.7206332964302953
Energy: 0.7196026551388736
Energy: 0.7135751536148193
Energy: 0.7206332964297254
Energy: 0.7196026551388736
Energy: 0.7206332964297254
Energy: 0.7135751536148193
Energy: 0.7206332964302953
Energy: 0.7186274709430766
Energy: 0.713575153615959
Energy: 0.7206332964308652
Energy: 0.732549385756981
Energy: 0.7206332964308652
Energy: 0.713575153615959
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.7196026551388736
Energy: 0.7206332964297254
Energy: 0.7135751536153891
Energy: 0.7206332964302953
Energy: 0.7196026551388736
Energy: 0.7135751536165291
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.7206332964302953
Energy: 0.7135751536153891
Energy: 0.7206332964302953
Energy: 0.7186274709425067
Energy: 0.7135751536148193
Energy: 0.7206332964302953
Energy: 0.7166903102179761
Energy: 0.7206332964302953
Energy: 0.7135751536148193
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.7135751536165291
Energy: 0.7206332964302953
Energy: 0.7196026551383036
Energy: 0.7206332964291554
Energy: 0.7135751536148193
Energy: 0.7206332964297254
Energy: 0.7196026551388736
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.7186274709436464
Energy: 0.7206332964297254
Energy: 0.713575153615959
Energy: 0.7206332964302953
Energy: 0.7186274709430766
Energy: 0.7135751536153891
Energy: 0.7206332964302953
Energy: 0.7186274709436464
Energy: 0.7206332964308652
Energy: 0.713575153615959
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.7186274709425067
Energy: 0.7206332964291554
Energy: 0.7135751536153891
Energy: 0.7206332964302953
Energy: 0.7186274709430766
Energy: 0.7135751536165291
Energy: 0.7206332964302953
Energy: 0.7186274709425067
Energy: 0.7206332964297254
Energy: 0.713575153615959
Energy: 0.7206332964297254
Energy: 0.7186274709419367
Energy: 0.7135751536148193
Energy: 0.7206332964302953
Energy: 0.7186274709436464
Energy: 0.7206332964302953
Energy: 0.7135751536148193
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.7186274709430766
Energy: 0.7206332964291554
Energy: 0.7135751536142493
Energy: 0.7206332964302953
Energy: 0.7186274709430766
Energy: 0.713575153615959
Energy: 0.7206332964302953
Energy: 0.7186274709419367
Energy: 0.7206332964297254
Energy: 0.713575153615959
Energy: 0.7206332964302953
Energy: 0.7186274709430766
Energy: 0.7135751536142493
Energy: 0.7206332964308652
Energy: 0.7186274709436464
Energy: 0.7206332964308652
Energy: 0.7135751536153891
Energy: 0.7206332964297254
Energy: 0.7186274709430766

minimum gb energy = 0.570879314061412 eV
minimum distance =  2.61218540444965 Angstroms
sigma value = 23