Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.242432836622999
mass=55.845
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: 0.02012726939219879
Energy: 0.4727127473317064
Energy: 1.1391531320212638
Energy: 0.47282121660341586
Energy: 0.02012726939219879
Energy: 0.47271274733221963
Energy: 0.48748251657544556
Energy: 0.4869930524191494
Energy: 0.020709806582896496
Energy: 0.24327699528960708
Energy: 0.020996104602874037
Energy: 0.4869930524191494
Energy: 0.020709806580387385
Energy: 0.24327699528960708
Energy: 0.02012726939219879
Energy: 0.4727127473317064
Energy: 1.2494505451110942
Energy: 0.47282121660367255
Energy: 0.02012726939219879
Energy: 0.47271274733221963
Energy: 0.48748251657544556
Energy: 0.4869930524191494
Energy: 0.020709806582896496
Energy: 0.24327699528960708
Energy: 0.020996104602874037
Energy: 0.4869930524191494
Energy: 0.020709806582896496
Energy: 0.24327699528960708
Energy: 0.02012726939219879
Energy: 0.4727127473317064
Energy: 1.2494505451110942
Energy: 0.47282121660367255
Energy: 0.02012726939219879
Energy: 0.47271274733196295
Energy: 0.48748251657544556
Energy: 0.4869930524191494
Energy: 0.020709806582896496
Energy: 0.24327699528960708
Energy: 0.020996104602874037
Energy: 0.4869930524191494
Energy: 0.020709806582896496
Energy: 0.24327699528960708

minimum gb energy = 0.02012726939219879 eV
minimum distance =  2.52916092003586 Angstroms
sigma value = 5


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

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Energy: 0.9586644877276138
Energy: 0.9089764839177102
Energy: 0.9590068888385626
Energy: 0.8278935620403155
Energy: 0.9586644877276138
Energy: 0.8886854741543372
Energy: 0.8895800360452064
Energy: 0.9152504739674282
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Energy: 0.8894927872511651
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Energy: 0.8675667397874648
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Energy: 0.8715447270007057
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Energy: 0.9670000003757008
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Energy: 0.9670000003695699
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Energy: 0.8965995166908907
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Energy: 0.9384277240814881
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Energy: 0.9077622417416445
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Energy: 0.8703823386366918
Energy: 0.9335469730110635
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Energy: 0.884592142688028
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Energy: 0.8886894874523116
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Energy: 0.9178865759082897
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Energy: 0.888689487449246
Energy: 0.926177358722753
Energy: 0.9789962291883868
Energy: 0.5832600041902268
Energy: 0.8490949439202339
Energy: 0.9720320787615714
Energy: 0.9789962291945176
Energy: 0.5832600047417699
Energy: 0.8490949439202339
Energy: 0.9099662595002574
Energy: 0.8986051638773839
Energy: 0.8741114477805411
Energy: 0.9198559899286168
Energy: 0.9099662594971919
Energy: 0.8986051638804493
Energy: 0.8741114477774757
Energy: 0.9307891668280168
Energy: 0.9106365043662231
Energy: 0.893615605779792
Energy: 0.9037971513971464
Energy: 0.9307891668310823
Energy: 0.9106365043662231
Energy: 0.8936156057736614
Energy: 0.9883155529483453
Energy: 0.9184282430164686
Energy: 0.8379399622378984
Energy: 0.8979578551061292
Energy: 0.9883155529422146
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Energy: 0.8379399622378984
Energy: 0.9150510482912224
Energy: 0.8866747336461895
Energy: 0.8438857109973695
Energy: 0.8339197181508818
Energy: 0.915051048288157
Energy: 0.8866747336431241
Energy: 0.8438857109973695

minimum gb energy = 0.480305701718698 eV
minimum distance =  2.27667959100681 Angstroms
sigma value = 401


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

Energy: 0.7992025100939195
Energy: 0.9251466560529054
Energy: 0.8842647478286209
Energy: 0.9831519608547495
Energy: 0.799202510097399
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Energy: 0.9075692628620675
Energy: 0.9166228603820942
Energy: 0.8813972020882938
Energy: 0.8798142897766874
Energy: 0.9621236681548679
Energy: 0.9742181615499159
Energy: 0.9244468551890631
Energy: 0.8798142897835832
Energy: 0.9621236681548679
Energy: 0.9742181615499159
Energy: 0.9241609593165679
Energy: 0.9670060964624569
Energy: 0.9640550898068786
Energy: 0.6561591872552832
Energy: 0.9241609593165679
Energy: 0.9670060964659364
Energy: 0.9640550898033992
Energy: 0.9566728758612395
Energy: 0.9817822638383352
Energy: 0.9692426950591075
Energy: 0.7140577393768764
Energy: 0.956672875864719
Energy: 0.9817822638348558
Energy: 0.9692426950591075
Energy: 1.0416798123461575
Energy: 0.9524931725588751
Energy: 0.9698823998464753
Energy: 0.7131665537163926
Energy: 1.0416798123496371
Energy: 0.9524931725623546
Energy: 0.9698823998464753
Energy: 1.0165740590327608
Energy: 0.9185073394761548
Energy: 0.8988070469236661
Energy: 0.8520608933006318
Energy: 1.0165740590327608
Energy: 0.9185073394761548
Energy: 0.8988070469201865
Energy: 0.9107489536567204
Energy: 0.9308805266742963
Energy: 0.9635622118606219
Energy: 0.8961711379521325
Energy: 0.9107489536601997
Energy: 0.9308805266777759
Energy: 0.9635622118641013
Energy: 0.9237575455040496
Energy: 0.9251466560529054
Energy: 0.9014457370691745
Energy: 0.9831519608547495
Energy: 0.9237575455075291
Energy: 0.9251466560563848
Energy: 0.9014457370691745
Energy: 0.9780726874770564
Energy: 0.8432530791353782
Energy: 0.8371429610561691
Energy: 0.9010830322735038
Energy: 0.9780726874805359
Energy: 0.8432530791353782
Energy: 0.8371429610596488

minimum gb energy = -0.14203510196142524 eV
minimum distance =  2.32166825557779 Angstroms
sigma value = 311


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

Energy: 0.9623043429230123
Energy: 1.0096198233016604
Energy: 0.8694387858420978
Energy: 1.0073197831318654
Energy: 0.962304342920638
Energy: 1.0096198233012585
Energy: 0.907402909064229
Energy: 0.9918632615747346
Energy: 0.9837160117445364
Energy: 0.9565757086838821
Energy: 0.943551479020906
Energy: 0.99186326157594
Energy: 0.9837160117437329
Energy: 0.9565757086830786
Energy: 0.904832805615976
Energy: 0.8490440310761123
Energy: 0.9090147214127242
Energy: 0.8917777739452558
Energy: 0.9048328056151724
Energy: 0.8490440310769158
Energy: 0.8856965681932902
Energy: 0.8830160646199392
Energy: 0.8751857652880939
Energy: 0.9312251354173641
Energy: 0.9407329796706684
Energy: 0.8830160646207428
Energy: 0.8751857652864867
Energy: 0.9312251354165605
Energy: 0.8646003347659819
Energy: 0.892822590016536
Energy: 0.8263857806035669
Energy: 0.8329628461470786
Energy: 0.8646003347667854
Energy: 0.8928225900169376
Energy: 0.8487873749860034
Energy: 0.9623919800234149
Energy: 0.9380205145191771
Energy: 0.8637652413933145
Energy: 0.8767584061481294
Energy: 0.9623919800238165
Energy: 0.9380205145195788
Energy: 0.8637652413957252
Energy: 0.9917370838670433
Energy: 0.9019135996422869
Energy: 0.8625308169314121
Energy: 0.8931605151305532
Energy: 0.991737083867445
Energy: 0.901913599643894
Energy: 0.880937255868085
Energy: 0.8357984304043171
Energy: 0.8713674729323619
Energy: 0.9419897246284803
Energy: 0.9289028028335125
Energy: 0.8357984304015046
Energy: 0.8713674729339691
Energy: 0.9419897246280785
Energy: 0.9053258603167045
Energy: 0.8827867884224427
Energy: 0.980437013819358
Energy: 0.8671387035220738
Energy: 0.9053258603171063
Energy: 0.8827867884224427
Energy: 0.9658550164976835
Energy: 0.9155835253129764
Energy: 0.8864411755294019
Energy: 0.9613030942126162
Energy: 0.9249958997097913
Energy: 0.9155835253109676
Energy: 0.8864411755285984
Energy: 0.9613030942122143
Energy: 0.8837556863766893
Energy: 0.94281623798961
Energy: 0.9714698973916905
Energy: 0.9362684289691999
Energy: 0.8837556863762875
Energy: 0.9428162379900119
Energy: 0.9714698973920924
Energy: 0.9143604163480137
Energy: 0.9109870234509423
Energy: 0.9097639308941714
Energy: 0.9182225775541958
Energy: 0.9143604163484156
Energy: 0.9109870234505405
Energy: 0.9097639308929663
Energy: 0.9535050823531733
Energy: 0.9550901443422939
Energy: 0.9533759099730169
Energy: 0.9018448362360998
Energy: 0.9535050823527714
Energy: 0.9550901443410884
Energy: 0.9533759099738205
Energy: 0.9494562968353746
Energy: 0.8867089534649248
Energy: 0.903579958542525
Energy: 0.8787473557487575
Energy: 0.949456296834973
Energy: 0.8867089534649248
Energy: 0.9035799585429268
Energy: 0.9181226665255053
Energy: 0.916708173052597
Energy: 0.9405669760183613
Energy: 0.9290282059898528
Energy: 0.9181226665234965
Energy: 0.9167081730517934
Energy: 0.9405669760183613
Energy: 0.8835821635717999
Energy: 0.9183773184832387
Energy: 0.9454355366377062
Energy: 0.9135684664762296
Energy: 0.8835821635621572
Energy: 0.9183773184836405
Energy: 0.9454355366377062
Energy: 0.9414554147671786
Energy: 0.9435259665451429
Energy: 0.8728448251441095
Energy: 0.8662834073986138
Energy: 0.9414554147659732
Energy: 0.9435259665439375
Energy: 0.8728448251449131
Energy: 0.9367076381363261
Energy: 0.8880522204760994
Energy: 0.9230274195091198
Energy: 0.8691520221462126
Energy: 0.9367076381351207
Energy: 0.8880522204760994
Energy: 0.9230274195095217
Energy: 0.9146888747871562
Energy: 0.9389533166119046
Energy: 0.9669200137181648
Energy: 0.8509006003115597
Energy: 0.9146888747871562
Energy: 0.9389533166098957
Energy: 0.9669200137165577
Energy: 0.8554291398859395
Energy: 0.9123859397458528
Energy: 0.9395716591659102
Energy: 0.8716413494419246
Energy: 0.8554291398859395
Energy: 0.9123859397470582
Energy: 0.9395716591639012
Energy: 0.9625668737680362
Energy: 0.9459548016590856
Energy: 1.0448942650927937
Energy: 0.9222674268869617
Energy: 0.9625668737692417
Energy: 0.9459548016602909
Energy: 1.0448942650919901
Energy: 0.9861745583039062
Energy: 0.9659317316116516
Energy: 0.9194549480744113
Energy: 0.9062057460294103
Energy: 0.986174558302701
Energy: 0.965931731612455
Energy: 0.9194549480744113
Energy: 0.9229962316416985
Energy: 0.8345930196623923
Energy: 0.8544283782449255
Energy: 0.8929642345835628
Energy: 0.922996231642502
Energy: 0.834593019664803
Energy: 0.8375488527191313
Energy: 0.9622090987493922
Energy: 0.9552396244690964
Energy: 0.931591528076004
Energy: 0.9052463258485344
Energy: 0.962209098747785
Energy: 0.9552396244698999
Energy: 0.9315915280756022
Energy: 0.8997903095270291
Energy: 0.9046704337873994
Energy: 0.8624352906843571
Energy: 0.8795029672634425
Energy: 0.8997903095270291
Energy: 0.9046704337886049
Energy: 0.9013365385975048
Energy: 1.0043869145579922
Energy: 0.9163883882054924
Energy: 0.9071983421426001
Energy: 0.9745898125133715
Energy: 1.0043869145575903
Energy: 0.916388388206296
Energy: 0.9071983421434037
Energy: 0.9381715115607897
Energy: 1.00711287229438
Energy: 0.9160196669489418
Energy: 0.8756200078662129
Energy: 0.9381715115603879
Energy: 1.0071128722959872
Energy: 0.9160196669477366
Energy: 0.9862623973138602
Energy: 0.921401223079059
Energy: 0.9790059350924125
Energy: 0.9331339672614553
Energy: 0.9862623973130568
Energy: 0.9214012230814697
Energy: 0.9790059350928144
Energy: 0.9115028591609574
Energy: 0.8347931986378625
Energy: 0.8888667231447712
Energy: 0.8401713522834561
Energy: 0.9115028591605555
Energy: 0.8347931986370589
Energy: 0.8796418374349697
Energy: 0.8836692661161591
Energy: 0.8871514095821803
Energy: 0.9100504846878732
Energy: 0.9322256904675867
Energy: 0.8836692661173645
Energy: 0.8871514095829839
Energy: 0.9100504846886768
Energy: 0.9176418586545114
Energy: 0.8932998666566266
Energy: 0.856629412459443
Energy: 0.8116747382824681
Energy: 0.9176418586525025
Energy: 0.8932998666586356
Energy: 0.856629412459443
Energy: 0.946603802404992
Energy: 0.9368773256781405
Energy: 0.8562534315253031
Energy: 0.8611121990431536
Energy: 0.9466038024045902
Energy: 0.9368773256785422
Energy: 0.8562534315261067
Energy: 0.9899940163975661
Energy: 0.8833055851518518
Energy: 0.8489179805247774
Energy: 0.8852400942281405
Energy: 0.9899940163955572
Energy: 0.8833055851526553
Energy: 0.8354080874933766
Energy: 0.8557458190145503
Energy: 0.8825198336273781
Energy: 0.9424791883687347
Energy: 0.9132635282118889
Energy: 0.8557458190133448
Energy: 0.8825198336265745
Energy: 0.9424791883707436
Energy: 0.9537505493739811
Energy: 0.8679168921681041
Energy: 0.9287612163087295
Energy: 0.8377170610870188
Energy: 0.9537505493735793
Energy: 0.8679168921656933
Energy: 0.9913305877939033
Energy: 0.8864810031599567
Energy: 0.874281956369044
Energy: 0.934235436506445
Energy: 0.9252265096733026
Energy: 0.8864810031615638
Energy: 0.8742819563706512
Energy: 0.934235436506445

minimum gb energy = 0.8116747382824681 eV
minimum distance =  2.31780282329945 Angstroms
sigma value = 39


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

Energy: 0.8817883530371198
Energy: 1.0584805232109415
Energy: 0.8937292341558516
Energy: 1.058704161637137
Energy: 0.8817883530356972
Energy: 1.0584805232099934
Energy: 0.9553028364547268
Energy: 1.0237711810014922
Energy: 0.8464200269506851
Energy: 0.7360356227723637
Energy: 0.8464750424863903
Energy: 1.0237711809986474
Energy: 0.846420026951159
Energy: 0.7360356227766313
Energy: 0.8820277337707506
Energy: 0.8424670184164806
Energy: 0.7254203560510808
Energy: 0.8632170140384926
Energy: 0.8820277337716989
Energy: 0.8424670184155323
Energy: 0.7254203560501324
Energy: 1.0532006810265924
Energy: 0.846440736140953
Energy: 0.7358929199317912
Energy: 0.7963068118303216
Energy: 1.053200681028015
Energy: 0.8464407361447465
Energy: 0.7358929199322651
Energy: 0.97023413987698
Energy: 0.844506071537234
Energy: 0.849848632683036
Energy: 1.0479799127523135
Energy: 0.9702341398741352
Energy: 0.8445060715362857
Energy: 0.8498486326877779
Energy: 1.0536248514519313
Energy: 0.7242741368400161
Energy: 1.1377607372320602
Energy: 0.7867897835938018
Energy: 1.053624851450983
Energy: 0.7242741368352743
Energy: 1.1377607372301637
Energy: 1.0914136869461515
Energy: 0.8442344054860915
Energy: 0.9612957598404224
Energy: 0.8641841056301863
Energy: 1.0914136869428324
Energy: 0.8442344054832465
Energy: 0.8556249522473107
Energy: 1.053449419505355
Energy: 0.8567417555855741
Energy: 1.1885517573078583
Energy: 0.857035154548965
Energy: 1.0534494195025101
Energy: 0.8567417555884193
Energy: 1.1885517573111344
Energy: 1.0912793865671424
Energy: 0.8645266084095703
Energy: 0.8884658017617827
Energy: 0.8441276195545431
Energy: 1.091279386565246
Energy: 0.8645266084114671
Energy: 0.8884658017655762
Energy: 1.0536952293574984
Energy: 0.7861492152645699
Energy: 1.138096729508571
Energy: 0.7237610845686969
Energy: 1.0536952293589208
Energy: 0.7861492152612508
Energy: 1.138096729505726
Energy: 0.973446926281443
Energy: 1.0479660127811192
Energy: 0.9326000711651898
Energy: 0.8447562097378521
Energy: 0.9734469262800204
Energy: 1.0479660127815935
Energy: 0.8179174860976635
Energy: 1.0534647846849765
Energy: 0.788222065254387
Energy: 0.7361170265026438
Energy: 0.8464315109960827
Energy: 1.0534647846835539
Energy: 0.7882220652524904
Energy: 0.736117026500273
Energy: 0.8823909176816014
Energy: 0.8631193297331706
Energy: 0.7520683102266847
Energy: 0.8433487671476794
Energy: 0.8823909176820756
Energy: 0.8631193297298946
Energy: 0.7746633998997551
Energy: 1.023734993597625
Energy: 0.8463470889437862
Energy: 0.73601029390325
Energy: 0.8464141591056593
Energy: 1.0237349935999962
Energy: 0.8463470889452087
Energy: 0.7360102939013534
Energy: 0.8817883530366456
Energy: 1.0584805232109415
Energy: 0.9243319130421326
Energy: 1.0587041616361887
Energy: 0.8817883530347489
Energy: 1.0584805232099934
Energy: 0.955302836455201
Energy: 1.0237711810014922
Energy: 0.8464200269525817
Energy: 0.7360356227718895
Energy: 0.8464750424920803
Energy: 1.0237711809986474
Energy: 0.846420026951159
Energy: 0.7360356227761571
Energy: 0.8820277337726472
Energy: 0.8424670184141096
Energy: 0.7254203560510808
Energy: 0.8632170140361216
Energy: 0.8820277337726472
Energy: 0.8424670184169548
Energy: 0.7254203560491841
Energy: 1.0532006810270667
Energy: 0.8464407361400046
Energy: 0.7358929199332136
Energy: 0.7963068118288991
Energy: 1.0532006810289634
Energy: 0.8464407361442722
Energy: 0.7358929199327394
Energy: 0.9702341398741352
Energy: 0.844506071537234
Energy: 0.8498486326811393
Energy: 1.0479799127523135
Energy: 0.9702341398689192
Energy: 0.844506071534863
Energy: 0.8498486326835103
Energy: 1.0536248514524054
Energy: 0.7242741368376451
Energy: 1.1377607372330085
Energy: 0.7867897835933275
Energy: 1.0536248514505089
Energy: 0.7242741368333776
Energy: 1.1377607372315859
Energy: 1.0914136869466255
Energy: 0.8442344054875142
Energy: 0.8556249522473107
Energy: 0.8641841056316089
Energy: 1.0914136869428324
Energy: 0.8442344054841949
Energy: 0.855624952248259
Energy: 1.053449419505355
Energy: 0.8567417555836775
Energy: 1.1885517573078583
Energy: 0.8570351545494392
Energy: 1.0534494195025101
Energy: 0.8567417555888934
Energy: 1.18855175731066
Energy: 1.091279386566194
Energy: 0.8645266084105185
Energy: 0.8542858005116108
Energy: 0.8441276195578624
Energy: 1.0912793865647716
Energy: 0.8645266084114671
Energy: 0.8542858005087659
Energy: 1.0536952293574984
Energy: 0.7861492152636217
Energy: 1.138096729508571
Energy: 0.7237610845701196
Energy: 1.0536952293589208
Energy: 0.7861492152598282
Energy: 1.1380967295062003
Energy: 0.9734469262833397
Energy: 1.0479660127811192
Energy: 0.8005567375198175
Energy: 0.8447562097406973
Energy: 0.9734469262842881
Energy: 1.0479660127815935
Energy: 0.8005567375198175
Energy: 1.0534647846845022
Energy: 0.7882220652539128
Energy: 0.7361170265026438
Energy: 0.8464315109960827
Energy: 1.0534647846835539
Energy: 0.7882220652515418
Energy: 0.736117026500273
Energy: 0.8823909176816014
Energy: 0.8631193297294203
Energy: 0.7746633999026001
Energy: 0.8433487671453086
Energy: 0.8823909176834981
Energy: 0.8631193297326966
Energy: 0.7746633999002294
Energy: 1.023734993597151
Energy: 0.846347088943312
Energy: 0.73601029390325
Energy: 0.8464141591056593
Energy: 1.0237349935990476
Energy: 0.8463470889461571
Energy: 0.7360102939013534
Energy: 0.8817883530371198
Energy: 1.0584805232109415
Energy: 0.9553028364561492
Energy: 1.0587041616361887
Energy: 0.8817883530356972
Energy: 1.0584805232099934
Energy: 0.9553028364547268
Energy: 1.0237711810019665
Energy: 0.8464200269540042
Energy: 0.7360356227728378
Energy: 0.8464750424958739
Energy: 1.0237711809986474
Energy: 0.8464200269492624
Energy: 0.7360356227766313

minimum gb energy = 0.7237610845686969 eV
minimum distance =  2.27673789488702 Angstroms
sigma value = 21


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

Energy: 0.8842995970664238
Energy: 1.070878901755941
Energy: 0.8411542270164204
Energy: 1.0717606198251137
Energy: 0.8842995970664238
Energy: 1.0708789017547897
Energy: 0.8688912490150903
Energy: 0.913870326891846
Energy: 0.8782618025304308
Energy: 0.9288261304938547
Energy: 0.8784208248276626
Energy: 0.913870326893573
Energy: 0.8782618025292797
Energy: 0.928826130493279
Energy: 0.8026134952638513
Energy: 0.9131419431310853
Energy: 0.7767347727107401
Energy: 0.8365507147203947
Energy: 0.8026134952627001
Energy: 0.9131419431310853
Energy: 0.7767347727130426
Energy: 1.0476716229056307
Energy: 0.8779950629232873
Energy: 0.8761715249947699
Energy: 0.8273522327893964
Energy: 1.0476716229056307
Energy: 0.8779950629221361
Energy: 0.8761715249936186
Energy: 0.8296253602645078
Energy: 0.8216437922469128
Energy: 0.8690104090707482
Energy: 0.8940982695540367
Energy: 0.8296253602662347
Energy: 0.8216437922457616
Energy: 0.8690104090713239
Energy: 1.0510474595009922
Energy: 0.8646649581614453
Energy: 0.9079698115920436
Energy: 0.8728668236649005
Energy: 1.051047459499841
Energy: 0.8646649581614453
Energy: 0.9079698115903168
Energy: 0.9133366806398378
Energy: 0.821713083109746
Energy: 0.8694287516607022
Energy: 0.854904766928849
Energy: 0.9133366806415646
Energy: 0.821713083108019
Energy: 0.8694287516595509
Energy: 0.8620648113508362
Energy: 0.9450083211700683
Energy: 0.9505191375436242
Energy: 0.8732780487298885
Energy: 0.8620648113502606
Energy: 0.9450083211700683
Energy: 0.9505191375441998
Energy: 0.8848524455537007
Energy: 0.8714353706796424
Energy: 0.9704101262113247
Energy: 0.9303528605443335
Energy: 0.8848524455537007
Energy: 0.871435370680218
Energy: 0.9704101262107491
Energy: 0.9360074078723333
Energy: 0.865023229274271
Energy: 0.847630405413463
Energy: 0.8731195488451601
Energy: 0.9360074078740602
Energy: 0.865023229274271
Energy: 0.8476304054146142
Energy: 0.8834655075474641
Energy: 0.776990903332503
Energy: 0.9078832250682276
Energy: 0.7780694866880228
Energy: 0.8834655075474641
Energy: 0.7769909033313516
Energy: 0.932654343923228
Energy: 0.822176971614599
Energy: 0.8904484016058246
Energy: 0.7774847330346303
Energy: 0.7986895109957098
Energy: 0.8221769716169015
Energy: 0.890448401603522
Energy: 0.7774847330340546
Energy: 0.907720226750874
Energy: 0.7772244053507962
Energy: 0.8100403808993131
Energy: 0.7129630091970003
Energy: 0.907720226750874
Energy: 0.777224405347918
Energy: 0.8100403808987374
Energy: 0.8336310826748634
Energy: 0.8901707650670815
Energy: 0.8687598453525109
Energy: 0.8616169446290516
Energy: 0.8336310826748634
Energy: 0.8901707650659301
Energy: 0.8687598453530866
Energy: 1.0031583823960093
Energy: 0.8080113581452195
Energy: 0.935906070054449
Energy: 0.7203342410348281
Energy: 1.0031583823983117
Energy: 0.8080113581452195
Energy: 0.935906070054449
Energy: 0.8350083241780807
Energy: 0.9078890589086452
Energy: 0.854403903191115
Energy: 0.9275091296200361
Energy: 0.8350083241780807
Energy: 0.9078890589103723
Energy: 0.8544039031905394
Energy: 0.9348481212815355
Energy: 0.8119199803858308
Energy: 0.9080855012609533
Energy: 0.8788964692499275
Energy: 0.9348481212821111
Energy: 0.8119199803864064
Energy: 0.9080855012626802
Energy: 0.8420295513124327
Energy: 0.9286471270719581
Energy: 0.8159758292289531
Energy: 0.8490551938338865
Energy: 0.8420295513112812
Energy: 0.9286471270708069
Energy: 0.8159758292312554
Energy: 0.8867676821748931
Energy: 0.7991414082566664
Energy: 0.8967449165274396
Energy: 0.8806953818354928
Energy: 0.8867676821754688
Energy: 0.7991414082555152
Energy: 0.8967449165280151
Energy: 0.8408910702645379
Energy: 0.8214559116422246
Energy: 0.782294750147325
Energy: 0.8215571285812825
Energy: 0.8408910702645379
Energy: 0.8214559116410735
Energy: 0.7822947501490519
Energy: 0.8867905185950405
Energy: 0.8807035571521752
Energy: 0.8965833260479295
Energy: 0.7990899091847555
Energy: 0.8867905185950405
Energy: 0.8807035571510239
Energy: 0.8965833260473539
Energy: 0.8337706037767738
Energy: 0.8491930044680791
Energy: 0.8158166353672753
Energy: 0.9286901209371199
Energy: 0.8337706037790763
Energy: 0.8491930044617734
Energy: 0.8158166353701535
Energy: 0.9348719396153273
Energy: 0.8788937534957563
Energy: 0.854646107205919
Energy: 0.8117590859315955
Energy: 0.9348719396153273
Energy: 0.8788937534974831
Energy: 0.8546461072082215
Energy: 0.8349221338321275
Energy: 0.9276361423254922
Energy: 0.8544162563746912
Energy: 0.9079552453015394
Energy: 0.8349221338332787
Energy: 0.9276361423266436
Energy: 0.8544162563735398
Energy: 1.0036758142922229
Energy: 0.7190174535835605
Energy: 0.893886890796323
Energy: 0.8079630937722342
Energy: 1.00367581429395
Energy: 0.7190174535829849
Energy: 0.9031520120714246

minimum gb energy = 0.7129630091970003 eV
minimum distance =  2.29954950903022 Angstroms
sigma value = 113


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

Energy: 0.8330317250927989
Energy: 0.9945558084655046
Energy: 0.7247484167362248
Energy: 0.9191066279238496
Energy: 0.8330317250895862
Energy: 0.994555808462292
Energy: 0.7636525933357489
Energy: 0.9333152929072085
Energy: -0.7780649501022666
Energy: 1.0555208889648082
Energy: 0.9053548235480456
Energy: 0.9333152929039957
Energy: -0.7775066878636353
Energy: 1.0555208889680208
Energy: 0.8694995942041738
Energy: -0.909910885166278
Energy: 0.9460949136939233
Energy: 0.8634768957048247
Energy: 0.8694995942073862
Energy: -1.0001458833492474
Energy: 0.9460949136907106
Energy: 0.8216458391939466
Energy: 0.9254423976040579
Energy: 0.8229946984885401
Energy: 0.8423260116050035
Energy: 0.8216458391939466
Energy: 0.9254423976040579
Energy: 0.8229946984917526
Energy: 0.8786170819353534
Energy: 0.8232253979718475
Energy: 0.8654854568498526
Energy: 0.7461755058472128
Energy: 0.8786170819321406
Energy: 0.8232253979718475
Energy: 0.8654854568498526
Energy: 0.7950665448577603
Energy: 0.8517634895643944
Energy: 0.9624624776744033
Energy: 0.7943095262901066
Energy: 0.7950665448545476
Energy: 0.8517634895676072
Energy: 0.9624624776744033
Energy: 0.8222553970143957
Energy: 0.8240214121427785
Energy: 0.8095162907429756
Energy: 0.7849895584349349
Energy: 0.8222553970143957
Energy: 0.8240214121427785
Energy: 0.8095162907461882
Energy: 0.7823361040574108
Energy: 0.7902877116050189
Energy: 1.020284991218539
Energy: 0.7981342938090166
Energy: 0.7823361040606234
Energy: 0.7902877116082315
Energy: 1.0202849912153265
Energy: 0.8162751327181845
Energy: 0.8445207851907739
Energy: 0.7710904993895358
Energy: 0.7842302107355844
Energy: 0.8162751327181845
Energy: 0.8445207851939864
Energy: 0.771090499395961
Energy: 0.7839607028785343
Energy: 0.7864217110021059
Energy: 0.8066831512323679
Energy: 0.7909814729848568
Energy: 0.7839607028721091
Energy: 0.7864217110053183
Energy: 0.8066831512291553
Energy: 0.8280761575144583
Energy: 0.8420289110996011
Energy: 0.7921291670481417
Energy: 0.8118680130265764
Energy: 0.8280761575208834
Energy: 0.8420289111028139
Energy: 0.848665036235879
Energy: 0.781308675109259
Energy: 0.7819144410427803
Energy: 0.897491984887039
Energy: 0.782763604817677
Energy: 0.781308675109259
Energy: 0.7819144410395679
Energy: 0.8974919848838263
Energy: 0.8241702115127063
Energy: 0.8645976238947977
Energy: 0.8086268726741731
Energy: 0.8302228530225172
Energy: 0.8241702115127063
Energy: 0.8645976238915851
Energy: 0.8086268726709607
Energy: 0.7557696493042252
Energy: 0.8078117804696326
Energy: 1.0057338053964067
Energy: 0.8023063240829488
Energy: 0.7557696493010125
Energy: 0.8078117804728451
Energy: 1.0057338053996194
Energy: 0.824858840212002
Energy: 0.86689376704202
Energy: 0.8083162156078187
Energy: 0.8142102015722956
Energy: 0.8248588402087894
Energy: 0.8668937670452326
Energy: 0.8083162156078187
Energy: 0.7556586008290608
Energy: 0.7821655524680364
Energy: 0.8660677185851201
Energy: 0.7924299520536635
Energy: 0.7556586008322734
Energy: 0.7821655524744616
Energy: 0.8660677185722698
Energy: 0.7795892263521698
Energy: 0.8651746151212298
Energy: 0.8462237767571209
Energy: 0.8376987423548615
Energy: 0.7795892263489572
Energy: 0.8651746151244423
Energy: 0.8375234273044009
Energy: 0.7824574256045702
Energy: 0.7800282160621341
Energy: 0.7416648729031047
Energy: 0.774348477457933
Energy: 0.7824574256045702
Energy: 0.7800282160653467
Energy: 0.7416648729063173
Energy: 0.8106302268344917
Energy: 0.7998759957127382
Energy: 0.8852504774199473
Energy: 0.8774347858946562
Energy: 0.8106302268377042
Energy: 0.7998759957159509
Energy: 0.8852504774231601
Energy: 0.8269197862336566
Energy: 0.7824373808827967
Energy: 0.6986163875217382
Energy: 0.7767862340993932
Energy: 0.8269197862368693
Energy: 0.7824373808892219
Energy: 0.6986163875185257
Energy: 0.7872764162643131
Energy: 0.7885810171252865
Energy: 0.959676179526495
Energy: 0.8846790633864566
Energy: 0.7872764162578879
Energy: 0.7885810171284993
Energy: 0.9596761795329201
Energy: 0.8288213460465788
Energy: 0.7847086222714396
Energy: 0.731242141305336
Energy: 0.7846513447141744
Energy: 0.8288213460497912
Energy: 0.784708622274652
Energy: 0.731242141305336
Energy: 0.7986552643765389
Energy: 0.8091305804490472
Energy: 0.7983391174348425
Energy: 0.9344359035531066
Energy: 0.7986552643765389
Energy: 0.8091305804522597
Energy: 0.8839439947630732
Energy: 0.7921829126809923
Energy: 0.8440832900014035
Energy: 0.7741989581540055
Energy: 0.7779704070148912
Energy: 0.7921829126809923
Energy: 0.8440832900014035
Energy: 0.7741989581540055
Energy: 0.8120571538199856
Energy: 0.8308274330110051
Energy: 0.8204624476944781
Energy: 1.013438470429393
Energy: 0.8120571538167729
Energy: 0.83082743300458
Energy: 0.8204624476944781
Energy: 0.8372131680310136
Energy: 0.8384021738461559
Energy: 0.7833264143817583
Energy: 0.7329840529356992
Energy: 0.8372131680245884
Energy: 0.8384021738461559
Energy: 0.7833264143817583
Energy: 0.8890036054833926
Energy: 0.8475370342181596
Energy: 0.8560186068014042
Energy: 0.7877934181939571
Energy: 0.8890036054866053
Energy: 0.8475370342149469
Energy: 0.8560186068014042
Energy: 0.8711434073094109
Energy: 0.8813896466517338
Energy: 0.8530388411948812
Energy: 0.8160473509097211
Energy: 0.8711434073094109
Energy: 0.8813896466517338
Energy: 0.8530388411948812
Energy: -0.434610790197839
Energy: 0.8480736849959263
Energy: 0.8560105849520652
Energy: 0.8525832804316665
Energy: -0.43461079584948115
Energy: 0.8480736849959263
Energy: 0.856010584958432
Energy: 0.8693772707650844
Energy: 0.8883447551079837
Energy: 0.8147145639544311
Energy: 0.7219172267209557
Energy: 0.8693772707682969
Energy: 0.8883447551079837
Energy: 0.8147145639512187
Energy: 0.8356054315216285
Energy: 0.8618805638894258
Energy: 0.9611219973939839
Energy: 0.7187915737544476
Energy: 0.8356054315184159
Energy: 0.8618805638862134
Energy: 0.9611219973907713
Energy: 0.8549810167285962
Energy: 0.8444003394178917
Energy: 0.7615153775030407
Energy: 0.822803570074674
Energy: 0.8549810167350212
Energy: 0.8444003394146791
Energy: 0.7615153775030407
Energy: 0.8004363852685019
Energy: 0.8186666620531182
Energy: 0.8547392961124491
Energy: 0.8719894627942706
Energy: 0.8004363852717146
Energy: 0.8186666620563309
Energy: 0.8547392961124491
Energy: 0.910174686817375
Energy: 0.7830686747786811
Energy: 0.8172629163097835
Energy: 0.8440235195083933
Energy: 0.9101746868238002
Energy: 0.7830686747754685
Energy: 0.8172629163097835
Energy: 0.9602862110792272
Energy: 0.7647273904045656
Energy: 0.9986172305598878
Energy: 0.8730091784556769
Energy: 0.9602862110760145
Energy: 0.7647273904013531
Energy: 0.9986172305566753
Energy: 0.8983420384329304
Energy: 0.8389774521133413
Energy: 0.8127310018016712
Energy: 0.8410349890796659
Energy: 0.8983420384265052
Energy: 0.8389774521165538
Energy: 0.8127310018016712
Energy: 0.959631054485862
Energy: 0.8655609874297118
Energy: 0.8638217456063703
Energy: 0.8453418077003826
Energy: 0.9596310544890745
Energy: 0.8655609874264991
Energy: 0.8638217456031578
Energy: 0.8082075957468509
Energy: 0.8400245210935167
Energy: 0.7771564473416794
Energy: 0.846601490059076
Energy: 0.8082075957436384
Energy: 0.8400245210935167
Energy: 0.7771564473416794
Energy: 0.8712734397272246
Energy: 0.8853198207272331
Energy: 0.7401697352145504
Energy: 0.9030788065438718
Energy: 0.8712734397272246
Energy: 0.8853198207272331
Energy: 0.7401697337309777
Energy: 0.8078901173031604
Energy: 0.8347121992645842
Energy: 0.7639595082809582
Energy: 0.7972140445684391
Energy: 0.8078901173063731
Energy: 0.8347121992613714
Energy: 0.7639595082809582
Energy: 0.8106798846300887
Energy: 0.8437629509062367
Energy: 0.8375426156986816
Energy: 0.9294927437618979
Energy: 0.8106798846300887
Energy: 0.8437629509094493
Energy: 0.8375426156986816
Energy: 0.8077919825347334
Energy: 0.8742571623332392
Energy: 0.9884947018381616
Energy: 0.8228718798848287
Energy: 0.807791982537946
Energy: 0.8742571623332392
Energy: 0.988494701870229
Energy: 0.7522219425230458
Energy: 0.8439153505238434
Energy: 0.7106467507232528
Energy: 0.9333201254733859
Energy: 0.7522219425198331
Energy: 0.8439153505334812
Energy: 0.710646750729678
Energy: 0.8043785153881932
Energy: 0.8727991657941009
Energy: 0.9588721136690569
Energy: 0.8389272062825363
Energy: 0.8043785153914057
Energy: 0.8727991657941009
Energy: 0.9588721136658441
Energy: 0.7866508060672283
Energy: 0.8443150098110515
Energy: 0.8107631115269308
Energy: 0.921589442571043
Energy: 0.7866508060672283
Energy: 0.8443150098110515
Energy: 0.8107631115301435

minimum gb energy = -1.0001458833492474 eV
minimum distance =  2.22354144209943 Angstroms
sigma value = 365


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

Energy: 0.7790721437134257
Energy: 0.2999069366962716
Energy: 0.9962224319729642
Energy: 0.29990693669844454
Energy: 0.7790721437105285
Energy: 0.2999069366998932
Energy: 0.3919583273040378
Energy: 0.7790721437112529
Energy: 0.29990693670134183
Energy: 0.7390315159459275
Energy: 0.29990693669844454
Energy: 0.7790721437134257
Energy: 0.2999069366969959
Energy: 0.3917430053441758
Energy: 0.7790721437112529
Energy: 0.2999069366977203
Energy: 0.31036730592856937
Energy: 0.2999069366962716
Energy: 0.7790721437134257
Energy: 0.2999069366977203
Energy: 0.6227961745732128
Energy: 0.7790721437134257
Energy: 0.2999069366962716
Energy: 0.6603391722894296
Energy: 0.2999069366998932
Energy: 0.7790721437105285
Energy: 0.2999069366998932
Energy: 0.3917106354558404
Energy: 0.7790721437112529
Energy: 0.2999069366998932
Energy: 0.9673328720206102
Energy: 0.2999069366977203
Energy: 0.7790721437134257
Energy: 0.2999069366955473
Energy: 0.39184394654278787
Energy: 0.7790721437112529
Energy: 0.2999069366977203
Energy: 0.622752036357823
Energy: 0.2999069366962716
Energy: 0.77907214371415
Energy: 0.29990693669844454
Energy: 0.6230264494348899
Energy: 0.7790721437134257
Energy: 0.2999069366962716
Energy: 0.6667411678146644
Energy: 0.2999069366998932
Energy: 0.7790721437105285
Energy: 0.2999069366998932
Energy: 0.39189377209934956
Energy: 0.7790721437112529
Energy: 0.2999069366998932
Energy: 0.6450450325022821
Energy: 0.29990693669844454
Energy: 0.7790721437134257
Energy: 0.2999069366955473
Energy: 0.39188220564201065
Energy: 0.7790721437112529
Energy: 0.2999069366977203
Energy: 0.6692773555361039
Energy: 0.2999069366962716
Energy: 0.7790721437134257
Energy: 0.2999069366998932
Energy: 0.6226785569943878
Energy: 0.7790721437134257
Energy: 0.2999069366962716
Energy: 0.6229111648365883
Energy: 0.2999069366998932
Energy: 0.7790721437105285
Energy: 0.2999069366998932
Energy: 0.3923129888752702
Energy: 0.7790721437112529
Energy: 0.2999069367006175
Energy: 0.6603392358172164
Energy: 0.29990693669844454
Energy: 0.7790721437134257
Energy: 0.2999069366969959
Energy: 0.3918208695061778
Energy: 0.7790721437112529
Energy: 0.2999069366977203
Energy: 0.6228629177094103
Energy: 0.2999069366969959
Energy: 0.77907214371415
Energy: 0.2999069366977203
Energy: 0.6229302543119266
Energy: 0.7790721437134257
Energy: 0.2999069366955473
Energy: 0.39181311905050004
Energy: 0.2999069366998932
Energy: 0.7790721437105285
Energy: 0.2999069366991689
Energy: 0.39177703449248513
Energy: 0.7790721437119772
Energy: 0.2999069367006175
Energy: 0.3918288030894822
Energy: 0.29990693669844454
Energy: 0.7790721437134257
Energy: 0.2999069366969959
Energy: 0.39181917965015783
Energy: 0.7790721437112529
Energy: 0.2999069366977203
Energy: 0.3916994338926628
Energy: 0.2999069366969959
Energy: 0.7790721437134257
Energy: 0.29990693669844454
Energy: 0.39206277749075874
Energy: 0.7790721437134257
Energy: 0.2999069366962716
Energy: 0.39178799300498207
Energy: 0.29990693670134183
Energy: 0.7790721437112529
Energy: 0.2999069367006175
Energy: 0.3916866183591699
Energy: 0.7790721437112529
Energy: 0.2999069367006175
Energy: 0.3919142062060589
Energy: 0.2999069366991689
Energy: 0.7790721437127016
Energy: 0.2999069366962716
Energy: 0.391785870823961
Energy: 0.7790721437112529
Energy: 0.29990693669844454
Energy: 0.3918329372513559
Energy: 0.2999069366969959
Energy: 0.7790721437134257
Energy: 0.29990693669844454
Energy: 0.3917834773983808
Energy: 0.7790721437134257
Energy: 0.2999069366962716
Energy: 0.39195613392519674
Energy: 0.2999069366991689
Energy: 0.7790721437105285
Energy: 0.29990693669844454
Energy: 0.39180181533435937
Energy: 0.7790721437112529
Energy: 0.2999069366998932
Energy: 0.39229877166888666
Energy: 0.29990693669844454
Energy: 0.7790721437134257
Energy: 0.2999069366969959
Energy: 0.3918344418446574

minimum gb energy = 0.2999069366955473 eV
minimum distance =  2.42174430409028 Angstroms
sigma value = 23