Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.680044695734978
cohesive_energy=4.26217454226904
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 1.73430814100598e-20, 1.196907656606334e-19, 2.13440369004846e-19, 2.9277374721399e-19, 3.6055062536209193e-19, 4.1745513287186997e-19, 4.64802656759838e-19, 5.0418095407029e-19, 5.37094468662552e-19, 5.64698369889738e-19, 5.8787866143045e-19, 6.0733709665038e-19, 6.23628028664892e-19, 6.37204873461408e-19, 6.484457447255519e-19, 6.57664669077588e-19, 6.6511959695559e-19, 6.71026822205148e-19, 6.755705951391721e-19, 6.78904724714526e-19, 6.81154180708662e-19, 6.8242310460279e-19, 6.82822046584656e-19, 6.824134915429859e-19, 6.81139761118956e-19, 6.789159399509639e-19, 6.7564589744097e-19, 6.712206855778619e-19, 6.6551213023092e-19, 6.58323163674162e-19, 6.4922600474631e-19, 6.37647074212392e-19, 6.22826940347892e-19, 6.0388440600410995e-19, 5.798998217931299e-19, 5.4971481400857e-19, 5.115413535268859e-19, 4.63040262462438e-19, 4.012651379853e-19, 3.2248931724478797e-19, 2.220616814724e-19, 9.48349177960842e-20, -6.48551488383396e-20, -2.64363951139902e-19, -5.136562266837659e-19, -8.273207550284819e-19, -1.2218375250313738e-18, -1.7378809948998e-18, -2.44197353847744e-18, -3.4398732331979996e-18, -4.9063455062982e-18, -7.1807954559246e-18, -1.109734828127028e-17]
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: 0.01794517487877311
Energy: 0.024172292118869683
Energy: 0.13639939924692462
Energy: 0.13552668624087588
Energy: 0.02295238617872898
Energy: 0.019580795343703977
Energy: 0.13689836501499666
Energy: 0.13788027139185463
Energy: 0.13497484216905511
Energy: 0.021815418006985353
Energy: 0.018374971157840824
Energy: 0.1459167947419025
Energy: 0.1348031663697113
Energy: 0.19079444070661816
Energy: 0.19248341591640405
Energy: 0.1334748125012396
Energy: 0.14453888148455357
Energy: 0.13455834052228072
Energy: 1.2447452181557515
Energy: 0.18935992961274092
Energy: 0.13748948813398765
Energy: 0.02193432001653705
Energy: 0.018406755949614474
Energy: 0.13728041136097213
Energy: 0.1334786151575211
Energy: 0.13658632340378538
Energy: 0.021152242639980095
Energy: 0.018403754395432348
Energy: 0.13743729776851565
Energy: 0.13605343007311102
Energy: 0.14021020113351834
Energy: 0.019388600048350448
Energy: 0.019438011997295966
Energy: 0.1430970564431425
Energy: 0.13403619135794217
Energy: 0.1375676757511707
Energy: 0.01922326169297918
Energy: 0.01889481353387756
Energy: 0.13579123112493188
Energy: 0.134205613205243
Energy: 0.13839927811641636
Energy: 0.1346176127019972
Energy: 0.13947274463497547
Energy: 0.019928278428374527
Energy: 0.019056464682020255
Energy: 0.13790343595467333
Energy: 0.1357276241352016
Energy: 0.13825721733291996
Energy: 0.020863944208510395
Energy: 0.20691816101010108
Energy: 0.1387264227979311
Energy: 0.1337523305913161
Energy: 0.1385698703732539
Energy: 0.019360211149054615
Energy: 0.01883918686517697
Energy: 0.14028032673809232
Energy: 1.168783413399196
Energy: 0.13874450958024134
Energy: 0.020024769143499464
Energy: 0.018693397415144215
Energy: 0.018604273900780996
Energy: 0.19820981583973868
Energy: 0.1384748194384546
Energy: 0.13468136310091564
Energy: 0.14093778687194072
Energy: 0.018420543413802178
Energy: 0.20103983815538595
Energy: 0.137761777470593
Energy: 0.1353845266640119
Energy: 0.1399685800137189

minimum gb energy = 0.01794517487877311 eV
minimum distance =  2.55979073449551 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.4227283520993628
Energy: 1.0271157277051723
Energy: 0.9225591897642674
Energy: 0.9109455292089929
Energy: 0.9659443262797558
Energy: 1.0145176173368053
Energy: 0.912467157224761
Energy: 1.099746685588054
Energy: 0.9195006313347909
Energy: 1.0675176670437398
Energy: 1.0251519586883597
Energy: 1.351885239064942
Energy: 0.9204961389509739
Energy: 0.9150794961514683
Energy: 0.817733585384063
Energy: 0.8246298038876921
Energy: 1.1620348439044061
Energy: 1.0367600023345969
Energy: 1.120776387283205
Energy: 1.0586860999462682
Energy: 1.0850466930179978
Energy: 1.1211163457340974
Energy: 1.3032910976524241
Energy: 1.0141957703133102
Energy: 0.8186157923867193
Energy: 0.8091901285065165
Energy: 1.1204727811018524
Energy: 1.3224336321023125
Energy: 1.025135420489211
Energy: 1.0627105081386645
Energy: 1.0561497583302666
Energy: 0.9412929484329765
Energy: 1.3171240303564602
Energy: 0.8119485703616516
Energy: 0.8167233832835188
Energy: 1.0103321916775576
Energy: 0.9075230207286864
Energy: 1.2947034383502969
Energy: 1.0715865622085465
Energy: 1.063325306633157
Energy: 1.3621371922603054
Energy: 1.1641976673640881
Energy: 1.182472765100478
Energy: 1.340248776504366
Energy: 0.9982254026488913
Energy: 1.332446046187459
Energy: 1.293565733090893
Energy: 1.1876192103758616
Energy: 1.296186800622271
Energy: 1.1951269519842482
Energy: 1.207799529095852
Energy: 1.118966939974452
Energy: 1.1492569194315583
Energy: 0.994430819432163
Energy: 1.293129977176134
Energy: 1.2082140549011051
Energy: 1.118814984808704
Energy: 1.1566481118015275
Energy: 0.9948142029799582
Energy: 1.1880473706495247
Energy: 1.1859600442630913
Energy: 1.2655541628432898
Energy: 1.1748229617953598
Energy: 0.985827644641524
Energy: 1.191844084256483
Energy: 1.2825617267522453
Energy: 1.3716097719004945
Energy: 1.1594895189701284
Energy: 0.9858436948117205
Energy: 1.1281481944743053
Energy: 1.2678493636232795
Energy: 1.1307133445455535
Energy: 1.150929717885002
Energy: 1.18583429130731
Energy: 1.1278548553933359
Energy: 1.2847632216125995
Energy: 1.1623885426497167
Energy: 1.3049634133448518
Energy: 1.186239599744721
Energy: 1.128791014032247
Energy: 1.1897362377083955
Energy: 1.001827607084117
Energy: 0.9860616699386394
Energy: 1.3016869210952275
Energy: 0.943967545488885
Energy: 1.2025907192342882
Energy: 1.0020960421565255
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Energy: 1.3356954672841865
Energy: 1.1392907714896485
Energy: 1.3219290386888356
Energy: 1.0609464171348182
Energy: 0.9907800908101911
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Energy: 1.0434509870229167
Energy: 1.0657623893924284
Energy: 0.9914320057489573
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Energy: 1.3113057942830024
Energy: 1.2184904460459804
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Energy: 1.060643366487916
Energy: 0.9336957131112517
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Energy: 1.082135794965243
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Energy: 0.9210872187937721
Energy: 1.33021464679825
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Energy: 1.248709838226453
Energy: 1.266288586283441
Energy: 0.9204485993592335
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Energy: 1.1585111519558404
Energy: 1.1211989565015947
Energy: 1.1225698434164986
Energy: 1.0563607244961577
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Energy: 1.218510585223024
Energy: 1.3233109631246536
Energy: 1.1218146661372999
Energy: 1.1223178715039712
Energy: 1.0327574949274667
Energy: 0.9301629295488087
Energy: 0.9197324630094813
Energy: 1.1313579870142212
Energy: 0.8186785351617767
Energy: 0.963322610191987
Energy: 0.906925697766884
Energy: 1.044464556474032
Energy: 1.1998871269260243
Energy: 1.159659903265867
Energy: 0.965771402657805
Energy: 0.9206988194734544
Energy: 0.9198345978600851
Energy: 0.9642352733547679
Energy: 1.172474816439198
Energy: 0.9661191122885951
Energy: 0.9170413490126593
Energy: 1.1022536926801383
Energy: 1.066832841521681
Energy: 1.0277162808909268
Energy: 1.3531715848990857
Energy: 0.9205355847371691
Energy: 0.9136464552875759
Energy: 0.8220763679319675
Energy: 0.9218672435465115
Energy: 1.049839345975085
Energy: 0.9210594520764148
Energy: 0.9144461347594212
Energy: 1.036279328280008
Energy: 1.085374958250487
Energy: 1.1197509856368912
Energy: 0.9228693042409843
Energy: 1.0942348573654523
Energy: 0.820134240501367
Energy: 0.8106061570121997
Energy: 1.2362581901487926
Energy: 1.3273696137669053
Energy: 1.0266854132694059
Energy: 1.0614417176330282
Energy: 1.0568887690463276
Energy: 1.072211764015545
Energy: 1.268206323213416
Energy: 0.811064796676034
Energy: 0.9196509811393082
Energy: 0.8139354881413265
Energy: 1.0084158861658423
Energy: 1.232130819981704
Energy: 1.0934749060577142
Energy: 0.9438559163178807
Energy: 1.1860612155938515
Energy: 1.2764778815198825
Energy: 1.183039802726484
Energy: 1.2819763633280625
Energy: 0.9964883100784917
Energy: 1.3319835199075374
Energy: 0.921045856479721
Energy: 1.0745387648074607
Energy: 1.2406836483541746
Energy: 0.9972298685889103
Energy: 1.1190713411944513
Energy: 1.1188230129709167
Energy: 1.1520847441928748
Energy: 1.0026911626335315
Energy: 1.1719096159721945
Energy: 1.119595102734588
Energy: 1.1188051212020527
Energy: 1.157296727860843
Energy: 1.0306838021286797
Energy: 1.1847797567079534
Energy: 1.184294378298067
Energy: 1.2073535791892298
Energy: 1.2192329319060826
Energy: 0.9859518762510238
Energy: 1.1919092340041446
Energy: 1.277229795362468
Energy: 1.1483076839150455
Energy: 1.1579232498694663
Energy: 0.9856258332090158
Energy: 1.1424611736273953
Energy: 1.265934482917073
Energy: 1.1337372754474146
Energy: 1.300539195750342
Energy: 1.2517938177442478
Energy: 1.1312841886161167
Energy: 1.2855451281675545
Energy: 1.1323073309697123
Energy: 1.2990497747244625
Energy: 1.2821980874766101
Energy: 1.1278470889984205
Energy: 1.2660501701793436
Energy: 1.1454280107468324
Energy: 0.9861612479752838
Energy: 1.3308292010249332
Energy: 1.170708550876582
Energy: 1.186228072265721
Energy: 1.1911982506935572
Energy: 0.9862738483627235
Energy: 1.3310458988514187
Energy: 1.1852161221597846
Energy: 1.0501651440286701
Energy: 1.06029799644127
Energy: 0.9895229704495208
Energy: 1.0345596667594836
Energy: 1.3145852228797805
Energy: 1.0459916828657976
Energy: 1.0664961194847526
Energy: 0.9903318759638464
Energy: 1.0435251987679681
Energy: 1.3140653138857878
Energy: 1.0443276270726611
Energy: 1.0591153440398107
Energy: 1.0575393954861956
Energy: 1.0499326894716965
Energy: 1.2288761341658105
Energy: 1.0135081429000963
Energy: 1.0648456486226643
Energy: 1.0670972820560638
Energy: 1.0506470296379828
Energy: 1.3140380256839743
Energy: 1.2901088137779173
Energy: 1.0839286042155851
Energy: 1.188513777265011
Energy: 1.2331660595559022
Energy: 0.9234210430854141
Energy: 1.3183241455755632
Energy: 0.8193783728420901
Energy: 1.223507713042242
Energy: 1.2667159340158192
Energy: 0.9209809890484709
Energy: 1.3026037223923996
Energy: 1.186033096272456
Energy: 1.1483033802192926
Energy: 1.2718900837244693
Energy: 1.1240738746160897
Energy: 1.057262992830171
Energy: 1.3321366037482136
Energy: 0.9431083763989138
Energy: 1.119021363005467
Energy: 1.1204551067865667
Energy: 1.0782469297790471
Energy: 1.0599430593184316
Energy: 0.9284774924579463
Energy: 1.039444160336509
Energy: 1.0174420713531709
Energy: 0.8186118146159511
Energy: 0.8213160180411708
Energy: 0.9087831463754091
Energy: 1.0390978663485593
Energy: 1.3302140817316923
Energy: 1.1214201227143081
Energy: 0.9654912414859391
Energy: 0.9185401365511007
Energy: 0.9215117533101749
Energy: 0.9665851382165378
Energy: 1.1764808646166178
Energy: 0.9661903094548427
Energy: 0.9206076275242362
Energy: 1.1018823076715147
Energy: 1.0941693783992277

minimum gb energy = 0.8091901285065165 eV
minimum distance =  2.3822578459338 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 1.2567744300925032
Energy: 1.1995227817240939
Energy: 1.3212960429532095
Energy: 1.164922358663078
Energy: 1.1623243668718384
Energy: 1.166437354686156
Energy: 1.2437511407934192
Energy: 1.22600140280993
Energy: 1.2327076271349255
Energy: 1.2361319795518686
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Energy: 1.2442303402538992
Energy: 1.1926115684698124
Energy: 1.0524601956956083
Energy: 1.1611796283061016
Energy: 1.2336872247439208
Energy: 1.1676318440382911
Energy: 1.3374598239135727
Energy: 1.247254933001086
Energy: 1.3227798029288125
Energy: 1.2899367733725517
Energy: 1.327040575121346
Energy: 1.1689411626613604
Energy: 1.1974550332921734
Energy: 1.0265967266912597
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Energy: 1.3116440212235443
Energy: 1.2547009104580369
Energy: 1.1979842216094132
Energy: 1.251096096958367
Energy: 1.3085637673696604
Energy: 1.3358408104871062
Energy: 1.0229229968269093
Energy: 1.199961447848841
Energy: 1.118754820076441
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Energy: 1.137785244467989
Energy: 1.21829858730076
Energy: 1.1999830975558523
Energy: 1.319126534862599
Energy: 1.1931715107880125
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Energy: 1.1814633736405535
Energy: 1.292106089100018
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Energy: 1.2614303411971128
Energy: 1.377970730316889
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Energy: 1.2224192794215636
Energy: 1.2790449085122393
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Energy: 1.3843062443137841
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Energy: 1.376775271001338
Energy: 1.3137370907404817
Energy: 1.3703785145689706
Energy: 1.229843796972039
Energy: 1.2007125335422617
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Energy: 1.4019362495789305
Energy: 1.3189557902670195
Energy: 1.2281130129381332
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Energy: 1.4118910504082933
Energy: 1.2142889368766248
Energy: 1.2670088080741335
Energy: 1.2602792766870474
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Energy: 1.1900494760912925
Energy: 1.3362663410682454
Energy: 1.3628939407184109
Energy: 1.2401221661956625
Energy: 1.2692607228323523
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Energy: 1.35085220671642
Energy: 1.1937948631269406
Energy: 1.278019382977237
Energy: 1.2153096595834318
Energy: 1.3503265473155528
Energy: 1.3544775941273788
Energy: 1.3262637777459307
Energy: 1.1281100188704223
Energy: 1.2646782173184166
Energy: 1.2560183872946107
Energy: 1.3796512195121833
Energy: 1.286755551839381
Energy: 1.1446677468316317
Energy: 1.2688295166187782
Energy: 1.1974141114205226
Energy: 1.3606615117699636
Energy: 1.2775145465451367
Energy: 1.2846019275011575
Energy: 1.2935508273480787
Energy: 1.2840929911813808
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Energy: 1.2125551010366724
Energy: 1.3337781926691696
Energy: 1.2848423658435313
Energy: 1.276708385343167
Energy: 1.207669502565759
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Energy: 1.2961373823972384
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Energy: 1.2922708233750029
Energy: 1.2470884609276973
Energy: 1.2559284543287186
Energy: 1.2134524293488194
Energy: 1.38401534975224
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Energy: 1.2114256729754078
Energy: 1.1599178742219338
Energy: 1.3238011171050021
Energy: 1.155680386927231
Energy: 1.2052850288153631
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minimum gb energy = 1.0183347028896925 eV
minimum distance =  2.22822080186777 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.1543923335716897
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Energy: 1.150850792571332
Energy: 1.1462503940224977
Energy: 1.1771187435432298
Energy: 1.2054061943498557
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Energy: 1.1687404994124866
Energy: 1.1538528135073314
Energy: 1.2475299493009142
Energy: 1.2364640504485618
Energy: 1.1801346317910753
Energy: 1.1020514353733168
Energy: 1.1563113596646617
Energy: 1.2390536767072469
Energy: 1.1998296377347515
Energy: 1.2111155956743578
Energy: 1.2829313995872849
Energy: 1.1580736406561054
Energy: 1.2185024111265386
Energy: 1.2392936446506588
Energy: 1.2261996814013392
Energy: 1.2134182315529116
Energy: 1.2528276440632995
Energy: 1.230742858821219
Energy: 1.1801108246148042
Energy: 1.2775327106288428
Energy: 1.1898156004221716
Energy: 1.1923940701619138
Energy: 1.2495432406249745
Energy: 1.157849450730645
Energy: 1.161555697321922
Energy: 1.1801859105427064
Energy: 1.1989869489078024
Energy: 1.2184887528615207
Energy: 1.2725292368922658
Energy: 1.106500679462289
Energy: 1.27803024234381
Energy: 1.1236264957721296
Energy: 1.1967858640188507
Energy: 1.283177545386614
Energy: 1.1657775912830277
Energy: 1.2479761982147468
Energy: 1.2135455400104538
Energy: 1.2328431432354312
Energy: 1.1859187719430169
Energy: 1.218823024571293
Energy: 1.1240414349373262
Energy: 1.1707309828177819
Energy: 1.2208491481840682
Energy: 1.3369407260411126
Energy: 1.21814538968395
Energy: 1.22510780005306
Energy: 1.1708492826341041
Energy: 1.1859972072951415
Energy: 1.1917287573343598
Energy: 1.274649679496853
Energy: 1.1297408620081726
Energy: 1.1061231621716396
Energy: 1.1248538706180877
Energy: 1.1757171543012985
Energy: 1.1804568736753123
Energy: 1.0074988452760798
Energy: 1.2164511219588074
Energy: 1.229034728550673
Energy: 1.2242015038259597
Energy: 0.9970028655992407
Energy: 1.0081903480389376
Energy: 1.007487491315941
Energy: 0.994988488048918
Energy: 1.1768233275896103
Energy: 1.0070176877341832
Energy: 1.1189262227976216
Energy: 1.1164427170117925
Energy: 1.1642218123683625

minimum gb energy = 0.9946346790555244 eV
minimum distance =  2.25565180421811 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.7479163164808569
Energy: 1.1362960616601963
Energy: 1.0848335178756177
Energy: 1.1524983389776486
Energy: 1.086009764527312
Energy: 1.6435601297354643
Energy: 1.110548867561489
Energy: 1.1368292078155284
Energy: 1.1011821418350036
Energy: 1.1363472696711512
Energy: 1.1940503762421388
Energy: 1.2001610612251612
Energy: 1.1580167790174436
Energy: 1.1193778757568997
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Energy: 1.1240140315086726
Energy: 1.0724475860795932
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Energy: 1.2726423478746398
Energy: 1.1984810818906504
Energy: 1.2686214456396625
Energy: 1.1148589417722314
Energy: 1.1833071922737366
Energy: 1.147170200803249
Energy: 1.187005348403341
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Energy: 1.0892298929877664
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Energy: 1.1776115075662916
Energy: 1.1858781589103946
Energy: 1.088465525536442
Energy: 1.2725080238232471
Energy: 1.1921588631494557
Energy: 1.1988262769959765
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Energy: 1.1729158298379911
Energy: 1.2846537087653314
Energy: 1.2060079771382
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Energy: 1.1801425436748798
Energy: 1.1548727405585384
Energy: 1.1372688901462829
Energy: 1.1991820792701822
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Energy: 1.1464458885170021
Energy: 1.1976216949241227
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Energy: 1.204978797652087
Energy: 1.2788376193203532
Energy: 1.146797654795249
Energy: 1.1796079478485666
Energy: 1.2495081748291743
Energy: 1.2043115030611544
Energy: 1.20317270923946
Energy: 1.0962009990807937
Energy: 1.2007851531622489
Energy: 1.129658914992051
Energy: 1.1881463656194675
Energy: 1.1960966973050298
Energy: 1.1791482402090638
Energy: 1.1545377593962365
Energy: 1.1375774137464914
Energy: 1.1803284240293668
Energy: 1.0515026321083785
Energy: 1.1448119785038906
Energy: 1.1527748822007384
Energy: 1.1137989220831572
Energy: 1.1735446448806028
Energy: 1.198051828099519
Energy: 1.1269640688857148
Energy: 1.218318800000675
Energy: 1.1527582739132616
Energy: 1.18207730635737
Energy: 1.093649961296766
Energy: 1.2380586045267605
Energy: 1.2088762624520752
Energy: 1.1526415583600707
Energy: 1.1688981121782913
Energy: 1.0938969217346015
Energy: 1.2034616757667351
Energy: 1.1841267800417274
Energy: 1.2824315538762925
Energy: 1.1622178346525123
Energy: 1.0843409780191993
Energy: 1.1255671334442163
Energy: 1.0868545351117227
Energy: 1.1802295032894168
Energy: 1.1015374846252215
Energy: 1.1528510449626994
Energy: 1.2233810677014854

minimum gb energy = 1.0515026321083785 eV
minimum distance =  2.28690817503689 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.1079761342424308
Energy: 0.9690733403632137
Energy: 0.9381490227102681
Energy: 0.978266420900751
Energy: 0.9117594310985361
Energy: 0.9986051858022712
Energy: 0.9233363695418597
Energy: 0.9496590434345044
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Energy: 1.018058945023311
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Energy: 1.000930212238515
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Energy: 1.0530724267843274
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Energy: 1.0098465911561025
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Energy: 1.0435701123775174
Energy: 1.0004320036442207
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Energy: 1.0104677048265445
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Energy: 0.9697522318685661
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Energy: 1.0474973800826348
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Energy: 1.0607857970382195
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Energy: 1.0147660691117975
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Energy: 1.0530933702591831
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Energy: 1.0675431043568877
Energy: 0.9676100744087339
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Energy: 1.0278353725977851
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Energy: 1.031292521949725
Energy: 1.0098411409195815
Energy: 1.0008267556308443
Energy: 1.0479710231633874
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Energy: 1.0118927960218365
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Energy: 1.0307871891748988
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Energy: 0.9871404505079037
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Energy: 1.0058248976030846
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Energy: 1.0511437374895076
Energy: 1.012144855490676
Energy: 0.9811253976034806
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Energy: 0.9880914125242127
Energy: 1.0559120022251678
Energy: 0.9966781540852635
Energy: 0.9701342497463289
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Energy: 1.0114293979926348
Energy: 0.9702547900224154
Energy: 0.9626551007636325
Energy: 0.9540026058770026
Energy: 1.0326546090901199
Energy: 0.9692706870697101
Energy: 0.9669973639783492
Energy: 1.0006249591724643
Energy: 0.9754854664747875
Energy: 1.055414068627355
Energy: 0.9915076983303255
Energy: 0.9672391274737663
Energy: 0.9647477360471305
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Energy: 0.992579122449435
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Energy: 0.9938759667843755
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Energy: 1.0194040037030958
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Energy: 1.0537779470716138
Energy: 1.0478050474763787
Energy: 1.118570016353667
Energy: 1.0126563616763762
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Energy: 1.021737920495669
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Energy: 1.0599538834385744
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Energy: 1.025705669751816
Energy: 1.023602077913275
Energy: 1.0938688703750068
Energy: 1.0668516400039985
Energy: 1.0749107758996097
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Energy: 1.0289728865513343
Energy: 1.0354789964029278
Energy: 1.0320629119444449
Energy: 1.039667446917947
Energy: 1.1269225438579558
Energy: 0.9882583077905759
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Energy: 1.0393144088677704
Energy: 1.0101188754520656
Energy: 1.0918907514440588
Energy: 1.03763140621201
Energy: 1.0406537018004869
Energy: 1.0621502393258142
Energy: 0.9939419896523729
Energy: 1.0867646603437204
Energy: 0.9956476057159597
Energy: 1.0590274037477416
Energy: 1.015926462826273
Energy: 1.0112118040811295
Energy: 1.0521460904578666
Energy: 1.169494287222342
Energy: 1.044581030899781
Energy: 1.077308746359193
Energy: 1.0601216246546163
Energy: 1.0306576099746634
Energy: 1.250598978084525
Energy: 1.0590663802940803
Energy: 0.9972001751378685
Energy: 0.9859348749087767
Energy: 1.023308070808075
Energy: 1.017536816363159
Energy: 1.0323324478102143
Energy: 0.9693703330024249
Energy: 0.9798885102722191
Energy: 1.026873976557769
Energy: 1.0167698502594729
Energy: 1.0302933143427426
Energy: 1.0028483215173865
Energy: 1.0351122952222527
Energy: 1.0763688482345877
Energy: 1.0524581479061457
Energy: 1.0119337777130617
Energy: 0.920455401694458
Energy: 1.0418065027723058
Energy: 1.0431193615728211
Energy: 1.0424154530430727
Energy: 1.0132634503588043
Energy: 0.9207235561482567
Energy: 1.02775629402308
Energy: 1.0549185869845252
Energy: 0.8872936831259371
Energy: 0.9093257426940198
Energy: 0.8864367951529845
Energy: 0.991962491322171
Energy: 1.0962378722584414
Energy: 0.9669889373832685
Energy: 1.0036403204359161
Energy: 0.9957615546884354
Energy: 1.0015603650915113
Energy: 1.0314284603744635
Energy: 0.9866826928862082
Energy: 0.8885737655297826
Energy: 1.0063789877389655
Energy: 1.001732455346836
Energy: 1.027563876653414
Energy: 0.9994664309446316
Energy: 0.9885256026115724
Energy: 0.9996265352050194
Energy: 1.0414071685667576
Energy: 1.0968692851379944
Energy: 1.000448799346982
Energy: 0.9402950300680074
Energy: 0.8916777669076461
Energy: 0.9944383428504839
Energy: 1.0025904833177752
Energy: 0.9761518013308137
Energy: 0.9967815205214647
Energy: 1.0140908256514822
Energy: 1.0303142244971957
Energy: 0.9671208730261454
Energy: 0.9837245015131489
Energy: 0.9849736731872544
Energy: 0.9321508229685854
Energy: 0.9859732207315532
Energy: 0.9212369005145251
Energy: 0.9787546548821084
Energy: 0.9777375062078618
Energy: 0.9559568495118025

minimum gb energy = 0.8864367951529845 eV
minimum distance =  2.30829416007328 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.0050202356610587
Energy: 0.8546356669669817
Energy: 0.9761948780582428
Energy: 0.8337273101193309
Energy: 0.58676442344443
Energy: 0.6820930604744343
Energy: 0.836947691193965
Energy: 0.8889041869459414
Energy: 0.9802439414779507
Energy: 0.8528187635879008
Energy: 0.8528447328874024
Energy: 1.075707591712364
Energy: 0.8897143748318028
Energy: 0.7229314905295272
Energy: 0.6973307944394577
Energy: 0.7238222096702908
Energy: 0.7316098477533052
Energy: 0.9131381617810154
Energy: 0.7959843704323365
Energy: 0.7154150124796641
Energy: 0.8583822946916837
Energy: 0.8863659165508112
Energy: 0.9709155400098299
Energy: 0.8870131138731665
Energy: 0.6325879311551829
Energy: 0.8233473655929794
Energy: 0.8502203079964866
Energy: 0.8532003643129241
Energy: 0.8657033717401051
Energy: 0.6319525270145777
Energy: 0.6336582895953342
Energy: 0.8153543856170883
Energy: 0.8451583018416181
Energy: 0.9230519285367611
Energy: 0.6335221450946373
Energy: 0.6306683165508776
Energy: 0.9181173500941764
Energy: 1.0002583977786956
Energy: 0.8691182997650462
Energy: 0.634383512346729
Energy: 0.7935954909911241
Energy: 0.8822354455813033
Energy: 0.7943033813108591
Energy: 0.6964604307179396
Energy: 0.7180076374007647
Energy: 0.8132621825721055
Energy: 0.9298881377491867
Energy: 0.8134863430593735
Energy: 0.7569028757376731
Energy: 0.7175219335596599
Energy: 0.7179103459270318
Energy: 0.9398023769313795
Energy: 0.7184340239003467
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Energy: 0.6269770518568716
Energy: 0.8136929626861725
Energy: 0.8276227201259638
Energy: 0.7834662416727265
Energy: 0.5331656261636718
Energy: 0.5344427607754848
Energy: 0.7372560920194958
Energy: 0.7891824993559823
Energy: 0.889007919127926
Energy: 0.624577848104515
Energy: 0.6277535482874645
Energy: 0.892915554456775
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Energy: 0.7710843803573663
Energy: 0.5365391031936814
Energy: 0.7309311254767041
Energy: 0.7844133701847804
Energy: 0.8974333030944618
Energy: 0.9317890272891864
Energy: 0.7862021424763088
Energy: 0.7559605991434241
Energy: 0.8845022908219043
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Energy: 0.7383212510329962
Energy: 0.7626158768849407
Energy: 0.7052717911076722
Energy: 1.0592079024976266
Energy: 0.8644492925763495
Energy: 0.6806379853203941
Energy: 0.5840563086389238
Energy: 1.0291866544957493
Energy: 1.2039339915676273
Energy: 0.9746846463084248
Energy: 0.7391536473040246
Energy: 0.6343694739796993
Energy: 0.7858189051622712
Energy: 0.741186965102833
Energy: 0.8130318478941093
Energy: 0.5832730680671232
Energy: 0.9199935626812751
Energy: 0.8881375202014313
Energy: 0.7602926448051689
Energy: 0.86502344638134
Energy: 0.6338041239000537
Energy: 0.9016370575876613
Energy: 0.9715509922395752
Energy: 0.7938025661993507
Energy: 0.8351142394438277
Energy: 0.5883418412068172
Energy: 0.8703097985074492
Energy: 0.8830236507066332
Energy: 0.9086000929124601
Energy: 0.6792112104166371
Energy: 0.674109906230042
Energy: 0.72227294090409
Energy: 0.7839691638642003
Energy: 0.8256159896923387
Energy: 0.5843961569454151
Energy: 0.5825507963247312
Energy: 0.8650283136823231
Energy: 0.8511033368143746
Energy: 0.7465315326744515
Energy: 0.6723502352448969
Energy: 0.6720853334941256
Energy: 0.9395538341545803
Energy: 0.886429544477862
Energy: 0.8486042073710297
Energy: 0.9159864897211917
Energy: 0.8411414290925769
Energy: 0.8052959587296323
Energy: 0.7785653638839348
Energy: 0.7874991308186333
Energy: 0.8196286062777746
Energy: 0.8334201045903307
Energy: 0.8014603817528636
Energy: 0.93119750973807
Energy: 0.5944554462596365
Energy: 0.5877222031815811
Energy: 0.805471930189933
Energy: 0.7771883944688646
Energy: 1.0195612957568405
Energy: 0.5847596372483016
Energy: 0.5851070759652489
Energy: 0.7107632923554875
Energy: 0.9683549689691223
Energy: 0.9899026056279073
Energy: 0.5892924575205274
Energy: 0.5823044910655212
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Energy: 0.988368791591155
Energy: 0.7558621994867235
Energy: 0.582742271622573
Energy: 0.5821185322645932
Energy: 0.7959049181768949
Energy: 1.1009756335248808
Energy: 0.8097176912759426
Energy: 0.7633399869235314
Energy: 0.8067919241210797
Energy: 0.7857482577840313
Energy: 0.8423284694076149
Energy: 0.7787696051770767
Energy: 0.71024982808279
Energy: 0.7653205075572351
Energy: 0.8976400752757991
Energy: 0.8807350147032521
Energy: 0.6424186649726409
Energy: 0.6655913056613351
Energy: 0.8729356502350402
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Energy: 0.8540693877643184
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Energy: 0.7928594153734131
Energy: 0.7182432033377077
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Energy: 0.7790528262002646
Energy: 0.6629753217206935
Energy: 0.8437700436394733
Energy: 1.8970052441161442
Energy: 0.7859033907955879
Energy: 0.893025723219457
Energy: 0.48534124473882895
Energy: 0.7821638733677936
Energy: 0.9707286352631957
Energy: 0.8796416789252913
Energy: 0.9507569690483437
Energy: 0.8640557232111857
Energy: 0.9734147482022074
Energy: 1.1382908209407328
Energy: 0.8785579649836415
Energy: 0.5877334288055104
Energy: 0.7387114681460832
Energy: 0.8805341527785914
Energy: 0.8043091806658645
Energy: 0.8574644643001181
Energy: 0.5849546531558596
Energy: 0.5849571878060952
Energy: 0.9739479845473548
Energy: 0.869134608411265
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Energy: 0.6804203883123388
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Energy: 0.7921495479663933
Energy: 1.0595071086809673
Energy: 0.5933686556188286
Energy: 0.6801942915394571
Energy: 0.9106849941617438
Energy: 1.0243769388782569
Energy: 0.8051424264822526
Energy: 0.6714543813426427
Energy: 0.7668887912308102
Energy: 0.889586372250114
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Energy: 0.6771202363809495
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Energy: 0.8346652250078463
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Energy: 0.7920929178819848
Energy: 0.894940267042958
Energy: 0.875649903582544
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Energy: 0.884162220116603
Energy: 0.8811219977874898
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Energy: 0.5849048893367245
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Energy: 0.9263912990389562
Energy: 0.895073223805788
Energy: 0.7673725912211553
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Energy: 0.8423588801529891
Energy: 0.6827505120390551
Energy: 0.8243777368245332
Energy: 0.7708710528576262
Energy: 1.1265897008574637
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Energy: 0.8615465429109358
Energy: 0.7627920248272341
Energy: 0.632789600146113
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Energy: 0.8652733849089571
Energy: 0.9557917761085598
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Energy: 0.583093555248667
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Energy: 0.727272848854484
Energy: 0.7841616394047383
Energy: 0.7601930398259069
Energy: 0.7964872920845686
Energy: 0.8549472501926966
Energy: 0.8265726212795858
Energy: 0.9290494455545083
Energy: 0.798488919655073
Energy: 0.8237076553124486
Energy: 0.8271058751023194
Energy: 0.9079159743709879
Energy: 0.7969421897009423
Energy: 0.5350308289950025
Energy: 0.5341608383868252
Energy: 0.7738425113428268
Energy: 0.8052371689793187
Energy: 0.8117685881534191
Energy: 0.6228279845238403
Energy: 0.6241715948432175
Energy: 0.884374967903495
Energy: 0.9444841779166331
Energy: 0.764770688443755
Energy: 0.7270355493272443
Energy: 0.534912313434372
Energy: 0.7776097578989946
Energy: 0.9182382900524063
Energy: 0.8042634406530208
Energy: 0.7963784411024444
Energy: 0.7935754671306747
Energy: 0.9636066890747017
Energy: 0.8814801250910996
Energy: 0.7745286936731487
Energy: 0.633296872149344
Energy: 0.8674936685528217
Energy: 0.7831154765641108
Energy: 0.9355016143463474
Energy: 0.8848112797858912
Energy: 0.6326439492128442
Energy: 0.8572460736800727
Energy: 0.8582754392330945
Energy: 0.8837449403805014
Energy: 0.6343600402711216
Energy: 0.63347300384166
Energy: 0.7232256028708675
Energy: 0.9051913562848338
Energy: 0.8303433346327727
Energy: 0.6338385391913857
Energy: 0.6344760337467202
Energy: 0.8512026733335339
Energy: 0.9764632745699335
Energy: 0.8601022928569924
Energy: 0.8001333436050941
Energy: 0.8262679623959089
Energy: 0.8449479573763694
Energy: 0.9622481503867182
Energy: 0.7592274692111063
Energy: 0.7798374153120586
Energy: 0.7505227423849248
Energy: 0.8929968887174936
Energy: 1.2228964164161258
Energy: 0.8363830866035377
Energy: 0.8494353918525425
Energy: 1.0114280182618918
Energy: 0.9959341612780486
Energy: 0.9405346438565735
Energy: 0.7286436781892605
Energy: 0.5852541519954853
Energy: 0.8244596339398874
Energy: 0.8356871232172993
Energy: 0.9019328340055576
Energy: 0.8620334125399568

minimum gb energy = 0.48534124473882895 eV
minimum distance =  2.39133790471953 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.9283014484857894
Energy: 0.812400999323307
Energy: 0.8728408503149382
Energy: 0.8712927203687886
Energy: 0.8772491459714045
Energy: 0.8766592024459292
Energy: 0.8654712634613694
Energy: 0.959020578925473
Energy: 0.8712413845976135
Energy: 0.8769682955892538
Energy: 0.8103530750453652
Energy: 0.8643000350326104
Energy: 0.8728798202723732
Energy: 0.9500138190835336
Energy: 0.839190036668653
Energy: 0.8222442296928937
Energy: 0.9717188206743264
Energy: 0.87260875808129
Energy: 0.9522898607360177
Energy: 0.835950115393789
Energy: 0.8649555417086572
Energy: 0.8281084202029843
Energy: 0.9934428966917571
Energy: 0.8660736593230502
Energy: 0.8761907936870006
Energy: 0.8648860090569968
Energy: 0.8727858759888104
Energy: 0.993951208744339
Energy: 0.865695000443437
Energy: 0.8757408300661123
Energy: 1.0530789161613225
Energy: 0.9161443111998657
Energy: 0.8283786142228118
Energy: 0.86402530168566
Energy: 0.8752765060385506
Energy: 1.0508458567516485
Energy: 0.9145834784732693
Energy: 0.8287193045624646
Energy: 0.8648155735999113
Energy: 0.8754808454897333
Energy: 0.8630365612903754
Energy: 0.8675024199422551
Energy: 0.9021844926340846
Energy: 0.901254617751491
Energy: 0.8468487428137227
Energy: 0.8636759792756932
Energy: 0.867859973663972
Energy: 0.9018255400473477
Energy: 0.8991404326176469
Energy: 0.8465818235073721
Energy: 0.8465880148745021
Energy: 0.8663610493917713
Energy: 1.0576743544804075
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Energy: 0.9829979460700422
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Energy: 0.8620103452370722
Energy: 0.9757280622175865
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Energy: 0.8363110944526616
Energy: 0.8725251135891252
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Energy: 0.8193819126884623
Energy: 0.8383156183582993
Energy: 0.8726723343040845
Energy: 0.8446383302488564
Energy: 0.8350279090439202
Energy: 0.8693664256819532
Energy: 0.8672775436816502
Energy: 0.8603086141753687
Energy: 0.8345687493955151
Energy: 0.8363656408043989
Energy: 0.8687932933205866
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Energy: 0.8617365029598137
Energy: 0.834423919876969
Energy: 0.8891709868112466
Energy: 0.8563925191648103
Energy: 0.8820978567884227
Energy: 0.8808067549721639
Energy: 0.8587004296423749
Energy: 0.8540703632359263
Energy: 0.8564094151167702
Energy: 0.8827618422463442
Energy: 0.869765618260241
Energy: 0.860485244048654
Energy: 0.8242828110542051
Energy: 0.8578715615810474
Energy: 0.8688839522347473
Energy: 0.8682658471665996
Energy: 0.856601888033462
Energy: 0.8103056470647338
Energy: 0.8569300812370885
Energy: 1.0743241369493794
Energy: 0.8676678562451354
Energy: 0.8572218091365907
Energy: 0.8740809354972565
Energy: 0.8583792113940067
Energy: 0.837121530518032
Energy: 0.8585537922447533
Energy: 0.8589362199572393
Energy: 0.8358358774203823
Energy: 0.8581256604154491
Energy: 0.8400154851352365
Energy: 0.8595386186158886
Energy: 0.8569290662590301
Energy: 0.8584032740700656
Energy: 0.8764959797442775
Energy: 0.9562467610056555
Energy: 0.8309647503160277
Energy: 0.8674396634598053
Energy: 0.8520739303887056
Energy: 0.8772180088111601
Energy: 1.1075154279490176
Energy: 0.8544621332997006
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Energy: 0.8378387840751572
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Energy: 0.9660454038693104
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Energy: 0.8690724902374126
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Energy: 0.8153267342320443
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Energy: 0.820090656026609
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Energy: 0.8138714454524575
Energy: 0.8694174415323815
Energy: 0.8724740049310664
Energy: 0.8380109937799034
Energy: 0.8650147347805072
Energy: 0.8132890443129166
Energy: 0.9796888462999696
Energy: 0.8966438759620728
Energy: 0.9901757187478972
Energy: 0.8704617370371545
Energy: 0.8685567344158436
Energy: 0.8093940972242674
Energy: 0.9169250028340928
Energy: 1.008971584790421
Energy: 0.864209996875088
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Energy: 0.8718942713754081
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Energy: 0.8715903415510529
Energy: 0.8668348679229143
Energy: 0.8279258244419635
Energy: 0.8720091864866554
Energy: 0.8761635775939065

minimum gb energy = 0.8053236027512298 eV
minimum distance =  2.35983804153198 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.9792034777695178
Energy: 1.1217718531480778
Energy: 1.0998475260802643
Energy: 1.1411427988718803
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Energy: 1.1959524958469785
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Energy: 1.2483469854558866
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Energy: 1.1064509724589806
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Energy: 1.0321389686878848
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Energy: 1.166184118766778
Energy: 1.143622049095777
Energy: 1.0984896465070328
Energy: 1.1369947251108814
Energy: 1.0972079746504557
Energy: 1.1677289852650272
Energy: 1.1870572875504388
Energy: 1.098707931430471
Energy: 1.13993434893361
Energy: 1.1439789036781207
Energy: 1.1061481252369212
Energy: 1.0996228894709694
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Energy: 1.097074708325647
Energy: 1.033159126816772
Energy: 1.0587764955000727
Energy: 1.2019634696940844
Energy: 1.10141140255786
Energy: 1.0981939853113805

minimum gb energy = 1.0321389686878848 eV
minimum distance =  2.25512393961507 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.259992516776834
Energy: 1.3735996289118684
Energy: 1.418324877151345
Energy: 1.370676462513424
Energy: 1.309108598204456
Energy: 1.4880943018399326
Energy: 1.3822232864102586
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Energy: 1.3935105551909293
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Energy: 1.4538210312422162
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Energy: 1.3642102195678025
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Energy: 1.4861750298384944
Energy: 1.4482195747002191
Energy: 1.3596831122439856
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Energy: 1.4886359373470035
Energy: 1.4476829214110243
Energy: 1.4533514618079286
Energy: 1.3441327726474492
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Energy: 1.3586557160582544
Energy: 1.4877823233274987
Energy: 1.344759067480315
Energy: 1.8106713452830276
Energy: 1.4633258739032162
Energy: 1.359738645397994
Energy: 1.3656518899263805
Energy: 1.5410209925951588
Energy: 1.4510793428761704
Energy: 1.4750018089711232
Energy: 1.3651136574981608
Energy: 1.3655153403345746
Energy: 1.6240766930924224
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minimum gb energy = 1.2068651973562146 eV
minimum distance =  2.33782159245682 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.3750452254705472
Energy: 1.3811916771186155
Energy: 1.368075803260032
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Energy: 1.3803554943344916
Energy: 1.3671522649112113
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Energy: 1.8053864128353019
Energy: 1.3693018535704646
Energy: 1.3666803633817097
Energy: 1.3694522807097784
Energy: 1.3356914205764718
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Energy: 1.4567307664796407
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Energy: 1.3662526138174935
Energy: 1.4115579902018394
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Energy: 1.3691981086889364
Energy: 1.3843531327586984
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Energy: 1.4133652461957738
Energy: 1.6189183388033515
Energy: 1.3706552847793412
Energy: 1.384971838331129
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Energy: 1.4284206639104675
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Energy: 1.4359006393633094
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Energy: 1.3797275042803023
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Energy: 1.370891939747085
Energy: 1.803159919458544
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Energy: 1.3867371733562857
Energy: 1.6005775484684006
Energy: 1.4512292318479445
Energy: 1.366729014797336
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Energy: 1.3861590869588156
Energy: 1.5991825612336474
Energy: 1.4485170976274793
Energy: 1.3667973317333704
Energy: 1.500465533860014
Energy: 1.4492458613552524
Energy: 1.3917708156442796
Energy: 1.4351266352655725
Energy: 1.3776817469304121
Energy: 1.4470860154606875
Energy: 1.4481801709404802
Energy: 1.4436039389342554
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Energy: 1.8071060745743974
Energy: 1.5525599322152415
Energy: 1.3697722684104583
Energy: 1.3702800126135486
Energy: 1.4484479490177713
Energy: 1.8052998978969308
Energy: 1.4417949402816004
Energy: 1.3817832882020429
Energy: 1.3708428365656276
Energy: 1.4486388772912233
Energy: 1.378525138399173
Energy: 1.383102597581728
Energy: 1.4557263735237482
Energy: 1.3669046151560686
Energy: 1.4291066649364803
Energy: 1.3916177729498156
Energy: 1.3686175654998127
Energy: 1.457663766286124
Energy: 1.367050547174937
Energy: 1.4432338785905372
Energy: 1.39215443318802
Energy: 1.3706387768042847
Energy: 1.4368305735571634
Energy: 1.3708516048266768
Energy: 1.4113895416639388
Energy: 1.4120179942407196
Energy: 1.3704914217232789
Energy: 1.4359870512859694
Energy: 1.3692275698001126
Energy: 1.6198040740931523
Energy: 1.4117946096406981
Energy: 1.4459126636506043
Energy: 1.5342107669935565
Energy: 1.4575113115233955
Energy: 1.3367352197734146
Energy: 1.4300107900008465
Energy: 1.3591288606825243
Energy: 1.5346701109811798
Energy: 1.457441845634783
Energy: 1.4204113532167824
Energy: 1.4290810212140699
Energy: 1.4262010245930041
Energy: 1.4366497019782003
Energy: 1.6156122120620577
Energy: 1.369654902477366
Energy: 1.4274145493219403
Energy: 1.4428923348758043
Energy: 1.4337601216850793
Energy: 1.6149849883812741
Energy: 1.4285484114852796
Energy: 1.4364742637520562
Energy: 1.8030902162761562
Energy: 1.4275816557640477
Energy: 1.3685499828875687
Energy: 1.3664173890065263
Energy: 1.4561519503457274
Energy: 1.8029164798079906
Energy: 1.4270572539421646
Energy: 1.3686835151940522
Energy: 1.3678635594614528
Energy: 1.48783877222043

minimum gb energy = 1.25960329123953 eV
minimum distance =  2.33478944785618 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.503366496568206
Energy: 1.2813776858030612
Energy: 1.3822134964179584
Energy: 1.2899514790276623
Energy: 1.2817968181171127
Energy: 1.5041829838149712
Energy: 1.2899013760944003
Energy: 1.3821128537107221
Energy: 1.2892588020457518
Energy: 1.282287842885007
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Energy: 1.288660976137819
Energy: 1.2889979904307172
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Energy: 1.2828842579504551
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Energy: 1.2887391798311782
Energy: 1.2892419688536374
Energy: 1.2908814640523192
Energy: 1.4007196994207942
Energy: 1.3824334913123657
Energy: 1.382505816954097
Energy: 1.289120802394059
Energy: 1.2898592675078118
Energy: 1.4016383683891427
Energy: 1.382490863282505
Energy: 1.3835986570335401
Energy: 1.3831972451890469
Energy: 1.4050783469274541
Energy: 1.2831204290506473
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Energy: 1.3981535305919333
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Energy: 1.4015081510872474
Energy: 1.2818578548619322
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Energy: 1.3987455328485536
Energy: 1.2882229141205828
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Energy: 1.4026082975935925
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Energy: 1.3989101612162254
Energy: 1.2878577465089207
Energy: 1.2884238197730653
Energy: 1.403553479615661
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Energy: 1.3821380564278853
Energy: 1.3822519261664878
Energy: 1.502615257660368
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Energy: 1.38194401902299
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Energy: 1.2829911689500737
Energy: 1.2889185337696836
Energy: 1.282931242748939
Energy: 1.2889363966358827
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Energy: 1.3825898179471368
Energy: 1.2887957422574117
Energy: 1.2885493951024167
Energy: 1.2885822573252566
Energy: 1.2846119611530715
Energy: 1.382865342901131
Energy: 1.4018227821536269
Energy: 1.2902439094538558
Energy: 1.3822744925520412
Energy: 1.2905300653546803
Energy: 1.29005773219048
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Energy: 1.2902338031735203
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Energy: 1.2875326317885425
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Energy: 1.2882640247937012
Energy: 1.2881179952404243
Energy: 1.5035854007981393
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Energy: 1.3816933060109595
Energy: 1.2900998250250595
Energy: 1.2816593289644775
Energy: 1.5042433125663652
Energy: 1.290129416703713
Energy: 1.3818906195144647
Energy: 1.2895569488856649
Energy: 1.2823297151212054
Energy: 1.3829384042975374
Energy: 1.2886020572593837
Energy: 1.2889157895911683
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Energy: 1.2888254622984399
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Energy: 1.2888166442431102
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Energy: 1.4010309109518218
Energy: 1.3821344717512507
Energy: 1.3826774955533943
Energy: 1.289765042670097
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Energy: 1.3835939815420983
Energy: 1.3841160492620213
Energy: 1.28579517863824
Energy: 1.2831604670607224
Energy: 1.2882474684463046
Energy: 1.3842274449418184
Energy: 1.3831148834946123
Energy: 1.4055892345334537
Energy: 1.2827351148120505
Energy: 1.2883138342964873
Energy: 1.383407146206017
Energy: 1.288968396157826
Energy: 1.28487910094381
Energy: 1.503820904986531
Energy: 1.4017106607668481
Energy: 1.2894078556309678
Energy: 1.2883829122943395
Energy: 1.2828233518275778
Energy: 1.4069440111114013
Energy: 1.402252830458172
Energy: 1.288777433680048
Energy: 1.289012330496028
Energy: 1.3830182853315447
Energy: 1.2887577631016407
Energy: 1.4029126582775726
Energy: 1.282618081599319
Energy: 1.289606901711391
Energy: 1.3827788426660323
Energy: 1.2896490284259645
Energy: 1.401507734243037
Energy: 1.28195323577496
Energy: 1.2891669385647695
Energy: 1.399316433499914
Energy: 1.288573912803574
Energy: 1.2886867444187244
Energy: 1.3833922893103772
Energy: 1.289006598323723
Energy: 1.398694713482604
Energy: 1.287892330976198
Energy: 1.2883370920306814
Energy: 1.3841280821283937
Energy: 1.2882039233414764
Energy: 1.3825292319334992
Energy: 1.3826450418378369
Energy: 1.5027191908968642
Energy: 1.2840247959419937
Energy: 1.2890363966899572
Energy: 1.3823155636483084
Energy: 1.382665026386851
Energy: 1.5015924213325809
Energy: 1.2837354939389092
Energy: 1.2892106125315324
Energy: 1.2827953784184654
Energy: 1.28848232022753
Energy: 1.2836999155902078
Energy: 1.3831811544867618
Energy: 1.2888345183605898
Energy: 1.2883851367312615
Energy: 1.2878411085626345
Energy: 1.2847119778660856
Energy: 1.2883294147215052
Energy: 1.4021089915804377
Energy: 1.2901889892802378
Energy: 1.3821502327856556
Energy: 1.290748409024167
Energy: 1.2897732818099519
Energy: 1.4020556743824082
Energy: 1.398609973548421
Energy: 1.5091488397229225
Energy: 1.289965438969446
Energy: 1.2904307522737486
Energy: 1.2854145765010943
Energy: 1.2877393792366434
Energy: 1.288277002514476
Energy: 1.2879543404984315
Energy: 1.287877957081619
Energy: 1.2843852983488604
Energy: 1.2876810461570043
Energy: 1.399156487482304
Energy: 1.2880703712846537
Energy: 1.287816592700922

minimum gb energy = 1.2813776858030612 eV
minimum distance =  2.33754396150238 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.4087090571911935
Energy: 1.4694690373125745
Energy: 1.4495834330320307
Energy: 1.4547012000497748
Energy: 1.4371260714604106
Energy: 1.420278644446646
Energy: 1.4379487990814452
Energy: 1.4731314403965265
Energy: 1.4403410930372915
Energy: 1.4613908840616174
Energy: 1.4651596524621613
Energy: 1.347981036691787
Energy: 1.3871164752499734
Energy: 1.3822448036199557
Energy: 1.4406912005874506
Energy: 1.4157966526939123
Energy: 1.3531667342365872
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Energy: 1.4292690334110683
Energy: 1.4363754202964605
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Energy: 1.4379940536517999
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Energy: 1.4140930021352653
Energy: 1.385660383126991
Energy: 1.4168038131308098
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Energy: 1.4158840477022125
Energy: 1.4055360972478679
Energy: 1.5004100816254504
Energy: 1.41874130675925
Energy: 1.494468988073632
Energy: 1.51794729435871
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Energy: 1.45419227923297
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Energy: 1.4718559117401437
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Energy: 1.5207019698178748
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Energy: 1.5347832240886436
Energy: 1.482729119416918
Energy: 1.4476316257789439
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Energy: 1.536631191341601
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Energy: 1.4532669747393143
Energy: 1.3743274111688257
Energy: 1.3799204882701726
Energy: 1.530140573855169
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Energy: 1.4705455884085774
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Energy: 1.3223147154275274
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Energy: 1.314989792438819
Energy: 1.481057604904993
Energy: 1.3423597463283636
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Energy: 1.315292616353114
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Energy: 1.4597955236773181
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Energy: 1.3409147208493155
Energy: 1.345920227379934
Energy: 1.4534091567108152
Energy: 1.4755612621958925
Energy: 1.3989345191253715
Energy: 1.3262464539366063
Energy: 1.4186402408496166
Energy: 1.4649126821732736
Energy: 1.4753556137393657
Energy: 1.3862118064427797
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Energy: 1.4379207030105847
Energy: 1.3943024512444644
Energy: 1.3769242557007197
Energy: 1.4223355897937846
Energy: 1.6374271910264462
Energy: 1.2991577515304513
Energy: 1.3952754576752677
Energy: 1.35706522999362
Energy: 1.4243675722174043
Energy: 1.6353218040037851
Energy: 1.3851340869047968
Energy: 1.344874995864179
Energy: 1.3790835235432273
Energy: 1.348180538108087
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Energy: 1.3481223628582744
Energy: 1.3484381303518662
Energy: 1.477963152256903
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Energy: 1.5458501591204612
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Energy: 1.2928811083031055
Energy: 1.344280977056561
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Energy: 1.4298618752111742
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Energy: 1.4110201290154527
Energy: 1.3727432467682672
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Energy: 1.5004120643657108
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Energy: 1.4330756078217712
Energy: 1.4526292753682053
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Energy: 1.4191912932778854
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Energy: 1.447124774138276
Energy: 1.4574653722704904
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Energy: 1.482202687121777
Energy: 1.470043604586529
Energy: 1.5531236956872527
Energy: 1.5735142656797192
Energy: 1.389809371305164
Energy: 1.3180810516045802
Energy: 1.5046880204532669
Energy: 1.6418580793315125
Energy: 1.5486942966873722
Energy: 1.3819615858050138
Energy: 1.3658659507982838
Energy: 1.5078334999768477
Energy: 1.645050033035187
Energy: 1.3359934799833115
Energy: 1.3413135096972162
Energy: 1.3166748027835558
Energy: 1.4784642259264322
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Energy: 1.3392769883585076
Energy: 1.3414910187874554
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Energy: 1.4850217475935599
Energy: 1.548592954239544
Energy: 1.3522471048538167
Energy: 1.3473831775767677
Energy: 1.3192469959518711
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Energy: 1.4244663935156026
Energy: 1.3151458392802282
Energy: 1.3501377330422526
Energy: 1.319464300563842
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Energy: 1.4706138087487772
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Energy: 1.4710206399329715
Energy: 1.4191890321421365
Energy: 1.6466405764492194
Energy: 1.3868402847728927
Energy: 1.3801626814339985
Energy: 1.4103171446025835
Energy: 1.4202351315763049
Energy: 1.6464354371807195
Energy: 1.3617161242867988
Energy: 1.3637016842556822
Energy: 1.4158831919391879
Energy: 1.5266844030372964
Energy: 1.4646575517030849
Energy: 1.3478397878505877
Energy: 1.3763048121852484
Energy: 1.3472361475287342
Energy: 1.4913325736772758
Energy: 1.458229846717346
Energy: 1.3371093215258292
Energy: 1.3688799806849152
Energy: 1.3344003449433988
Energy: 1.6518892520234632
Energy: 1.4207941675464573
Energy: 1.3535933249274006
Energy: 1.3666807796380065
Energy: 1.3635198260861239
Energy: 1.566093750958499
Energy: 1.407609156167566
Energy: 1.3373690771861537
Energy: 1.3683245037749157
Energy: 1.4274486602178955
Energy: 1.7390389106478108
Energy: 1.40541215828109
Energy: 1.342914139892648
Energy: 1.4644788719807862
Energy: 1.450867262789789
Energy: 1.470887565063051
Energy: 1.3524231731186807
Energy: 1.3319630146639045
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Energy: 1.4332711568942815
Energy: 1.4445029189852465
Energy: 1.3695779231678824
Energy: 1.4592836391772384
Energy: 1.2968948331046402
Energy: 1.427106458000891
Energy: 1.4315494443326386
Energy: 1.393788971979374
Energy: 1.4092630557756685
Energy: 1.3128300809950195
Energy: 1.4148284742459014
Energy: 1.4639810917145748
Energy: 1.5507076709583685
Energy: 1.4924118420299761
Energy: 1.4537170805316368
Energy: 1.3996228085008022
Energy: 1.4521893525948024
Energy: 1.5385259632670019
Energy: 1.4819507922795372
Energy: 1.4365048109270377
Energy: 1.3777828345904441
Energy: 1.4699531047552652
Energy: 1.4936010363602
Energy: 1.5539100586775032
Energy: 1.4563263833105342
Energy: 1.3677985736748386
Energy: 1.4531876710347358
Energy: 1.4886632716700565
Energy: 1.5371872290491255
Energy: 1.4264546821254662
Energy: 1.3680834339369206
Energy: 1.442045477967432
Energy: 1.4227743675327313
Energy: 1.636407062118245
Energy: 1.505135637836814
Energy: 1.4884368093368934
Energy: 1.44082071960194
Energy: 1.474444180999119
Energy: 1.638688214797732
Energy: 1.4870937939890847
Energy: 1.523668547641794
Energy: 1.4640277581027972
Energy: 1.5922738819752538
Energy: 1.622786896320589
Energy: 1.55696283258724
Energy: 1.3324219515339144
Energy: 1.4828517289575311
Energy: 1.5911349312342398
Energy: 1.5934319312381524
Energy: 1.5465543452007642
Energy: 1.3676700919949871
Energy: 1.3185243334312555
Energy: 1.4305797528085955
Energy: 1.3364243022704867
Energy: 1.342139943576537
Energy: 1.3143067936670587
Energy: 1.3112799487862625
Energy: 1.5675481828348714
Energy: 1.3436844733049662
Energy: 1.3481488992498172
Energy: 1.3188965574557001
Energy: 1.3936542620853456
Energy: 1.451669713101422
Energy: 1.4415245542007165
Energy: 1.3392047831954499
Energy: 1.3369514470804629
Energy: 1.3973952682828907
Energy: 1.5323417825933474
Energy: 1.4368018760166554
Energy: 1.3459880854102881
Energy: 1.3452586605084667
Energy: 1.466248404476472
Energy: 1.4742122559760344
Energy: 1.4517845745071145
Energy: 1.4189833089064892
Energy: 1.4322044880980467
Energy: 1.4382968473354905
Energy: 1.4387955665101946
Energy: 1.4310323590631453
Energy: 1.4243016259711854
Energy: 1.4297541685346435
Energy: 1.3216381386856138
Energy: 1.3520454115031173
Energy: 1.4058959527784602
Energy: 1.7226689763942984
Energy: 1.2971763490842965
Energy: 1.3768990233372502
Energy: 1.3586154384154117
Energy: 1.4138120711792788
Energy: 1.7252167385646036
Energy: 1.2969298343310205
Energy: 1.3196934904592867
Energy: 1.357532816251734
Energy: 1.3242334082715819
Energy: 1.386723801908874
Energy: 1.3470243189633577
Energy: 1.3396687618340581
Energy: 1.3739991599342367
Energy: 1.3576298272877838
Energy: 1.4175897492468654
Energy: 1.325408031557106
Energy: 1.3212506311301724
Energy: 1.49672380746597
Energy: 1.543556171950585
Energy: 1.544142573233955
Energy: 1.4657739588297245
Energy: 1.3228819928189501
Energy: 1.4287534197429022
Energy: 1.544359211756823
Energy: 1.4134401739917435
Energy: 1.489648497909806
Energy: 1.5018525576545574
Energy: 1.4637632662288467
Energy: 1.4910447556802109
Energy: 1.4598557159351526
Energy: 1.3089301190659242
Energy: 1.3467924591398737
Energy: 1.439368767651044
Energy: 1.4200245579500057
Energy: 1.4858514328662156
Energy: 1.3213460793107925

minimum gb energy = 1.2928811083031055 eV
minimum distance =  2.31374102268864 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.9219454397607785
Energy: 1.2502300682877965
Energy: 1.3658779066086448
Energy: 1.3865660977422731
Energy: 1.2510556550873262
Energy: 1.6181938825341424
Energy: 1.3232718722380843
Energy: 1.4326835281492278
Energy: 1.4060686147947734
Energy: 1.2489587862035598
Energy: 1.3183072088752976
Energy: 1.4173515540129031
Energy: 1.3503774595418565
Energy: 1.3436093856213163
Energy: 1.5540095580106916
Energy: 1.2593816214150166
Energy: 1.4120011843431512
Energy: 1.3386378299477744
Energy: 1.3927846624617013
Energy: 1.548949442239769
Energy: 1.2684927218232687
Energy: 1.2398897765633934
Energy: 1.4602974619663938
Energy: 1.2785302968870336
Energy: 1.4019665273184507
Energy: 1.2684696473296244
Energy: 1.3669329223701425
Energy: 1.5549563109243916
Energy: 1.2774198597931996
Energy: 1.3977587044747086
Energy: 1.271196221711864
Energy: 1.2789283943301866
Energy: 1.4144622474237851
Energy: 1.2823359701675467
Energy: 1.3960278813831226
Energy: 1.268785411317311
Energy: 1.2583742748056088
Energy: 1.4117214148618729
Energy: 1.2875696260726435
Energy: 1.3946287509664061
Energy: 1.2411802717483638
Energy: 1.4147747847520526
Energy: 1.3350523200141395
Energy: 1.271383312137595
Energy: 1.4513721217162747
Energy: 1.241971449421868
Energy: 1.4169875803995273
Energy: 1.3366304755478462
Energy: 1.3113672342867884
Energy: 1.450045841459623
Energy: 1.3446431015681743
Energy: 1.2707678740487725
Energy: 1.3444408575937654
Energy: 1.2459765534811094
Energy: 1.6209087177705837
Energy: 1.3460163545134467
Energy: 1.27816064273118
Energy: 1.3053554083267076
Energy: 1.2482346758364615
Energy: 1.9237258657610017
Energy: 1.2792198938288033
Energy: 1.2659194955723043
Energy: 1.307078472443587
Energy: 1.2957790371213287
Energy: 1.3893363576607665
Energy: 1.2793242601428363
Energy: 1.2707218607598911
Energy: 1.3056440652559451
Energy: 1.3501214706942053
Energy: 1.389822860626466
Energy: 1.3709219820511638
Energy: 1.2591653056008831
Energy: 1.277884435185154
Energy: 1.4761270255545196
Energy: 1.3921787556886163
Energy: 1.2349551516640034
Energy: 1.2617391309870878
Energy: 1.317586977846917
Energy: 1.4763981734572207
Energy: 1.391667317902966
Energy: 1.215655003591228
Energy: 1.444520993523336
Energy: 1.3316887847267111
Energy: 1.5527761434052847
Energy: 1.2686631444984944
Energy: 1.2726940870751213
Energy: 1.4443587374362248
Energy: 1.3306642962968718
Energy: 1.5745449245482748
Energy: 1.2674656420960815
Energy: 1.3858911305770742
Energy: 1.4989892039639618
Energy: 1.1950386623300469
Energy: 1.5209924588247088
Energy: 1.4082929304249536
Energy: 1.2569894450361725
Energy: 1.4849700020236616
Energy: 1.196099602694527
Energy: 1.6012037946697772
Energy: 1.3328831510042027
Energy: 1.2233914287574772
Energy: 1.198735166257376
Energy: 1.3261425681367915
Energy: 1.619034863472218
Energy: 1.2653840153926628
Energy: 1.224570873606809
Energy: 1.196117132847455
Energy: 1.329441513288689
Energy: 1.620246670837477
Energy: 1.2691751553861965
Energy: 1.2235954510993983
Energy: 1.2220824362544973
Energy: 1.1982772725533584
Energy: 1.3519086266512992
Energy: 1.199425267897284
Energy: 1.2218281766826145
Energy: 1.2269546429084601
Energy: 1.3266603397180992
Energy: 1.352051631349879
Energy: 1.1994122390562834
Energy: 1.2284110552139418
Energy: 1.350090688278768
Energy: 1.4854352211756507
Energy: 1.4815807316393168
Energy: 1.3262474649126275
Energy: 1.2234970229758104
Energy: 1.3507292605613048
Energy: 1.486184926392459
Energy: 1.480255328217942
Energy: 1.3264051610093504
Energy: 1.3413917219283051
Energy: 1.3338880370835031
Energy: 1.3682385119597875
Energy: 1.277825442647523
Energy: 1.1941602884525173
Energy: 1.2539845061468602
Energy: 1.3333924575022762
Energy: 1.4516500539389405
Energy: 1.198392296117093
Energy: 1.3556155394407365

minimum gb energy = 1.1941602884525173 eV
minimum distance =  2.31758409347342 Angstroms
sigma value = 33