Model name: model_name=MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834252
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.013216011668220201
Energy: 0.013621110830306937
Energy: 2.7245557207396893
Energy: 0.013621110830306937
Energy: 0.013621110830306937
Energy: 0.013967944124207033
Energy: 0.5588478084450798
Energy: 0.013967944124207033
Energy: 2.7245557207396893
Energy: 0.5588478084450798
Energy: 0.013508964600601692
Energy: 0.5588478084450798
Energy: 0.013621110830306937
Energy: 0.013967944124207033
Energy: 0.5588478084450798
Energy: 0.013967944124207033

minimum gb energy = 0.013216011668220201 eV
minimum distance =  2.47612722903679 Angstroms
sigma value = 1


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

Energy: 1.5685984483445288
Energy: 1.3930553282051823
Energy: 2.3917256491017254
Energy: 1.393055328210031
Energy: 1.523904237768167
Energy: 1.1176951263889003
Energy: 1.0887113188795972
Energy: 1.1176951264070834
Energy: 1.6452697770705542
Energy: 1.0507190568021634
Energy: 0.9593696981668695
Energy: 1.0507190568021634
Energy: 1.3514386463931898
Energy: 1.1158726195175843
Energy: 1.102983504995727
Energy: 1.115872619521221
Energy: 1.3936180710854098
Energy: 1.1864045871335243
Energy: 1.4272832430957403
Energy: 1.1864045871335243
Energy: 1.5797326819450925
Energy: 1.0711216537666148
Energy: 0.9183581991260144
Energy: 1.071121653828382
Energy: 1.1931401844719123
Energy: 1.1930028504568864
Energy: 0.9183070926278198
Energy: 1.1930028504580987
Energy: 0.9150573715297381
Energy: 1.0854101746779108
Energy: 1.422791384561397
Energy: 1.0854101746766986
Energy: 1.166163040483317
Energy: 1.163212150175134
Energy: 1.3338830373430455
Energy: 1.163212150175134
Energy: 1.5880082865744225
Energy: 1.2216332687349303
Energy: 1.1879395248731257
Energy: 1.2216332709861568
Energy: 1.034070411615556
Energy: 1.1610037517496687
Energy: 1.3175290204562147
Energy: 1.1610037517496687
Energy: 0.9322591395393688
Energy: 0.9394530226398575
Energy: 2.0256213385163426
Energy: 0.9394530226410698
Energy: 1.1687645979577388
Energy: 1.167431114787263
Energy: 1.3522406113420549
Energy: 1.167431114787263
Energy: 1.0559019759401362
Energy: 1.1857988190837303
Energy: 1.4747523128974411
Energy: 1.1857988190837303
Energy: 1.0092433810147448
Energy: 1.166367069271631
Energy: 1.5519612031685373
Energy: 1.166367069270419
Energy: 1.0041901913403914
Energy: 1.1363618835346208
Energy: 1.529564280351992
Energy: 1.1363618835358327
Energy: 1.006182001807959
Energy: 1.1872963208945937
Energy: 1.4764596169345183
Energy: 1.1872963208933813
Energy: 1.1650915047518815
Energy: 1.1638550024669327
Energy: 1.3530954074352082
Energy: 1.1638550024681449
Energy: 0.9501022911365671
Energy: 0.938376663814833
Energy: 2.1432459134709148
Energy: 0.938376663814833
Energy: 1.0614868021687225
Energy: 1.1455715694737683
Energy: 1.1261938548171562
Energy: 1.1455715694749806
Energy: 1.5663285013060926
Energy: 1.184540230166514
Energy: 1.1881713320889016
Energy: 1.184540230166514
Energy: 1.1490439322671335
Energy: 1.1263449554502758
Energy: 1.3445671808231485
Energy: 1.1263449554090608
Energy: 1.1658098576306826
Energy: 1.1274718413999756
Energy: 1.2481127702444168
Energy: 1.1274718414011877
Energy: 1.3704769244612693
Energy: 1.189215138326649
Energy: 0.9184752119367953
Energy: 1.189215138326649
Energy: 1.5465799063502876
Energy: 1.0678381823092118
Energy: 1.005255076144952
Energy: 1.06783818227527
Energy: 1.4394546062908393
Energy: 1.1820017868948474
Energy: 1.3547344056335233
Energy: 1.1820017868948474
Energy: 1.3518911071099382
Energy: 1.1059829366813263
Energy: 1.0297175654005244
Energy: 1.1059829366801142
Energy: 1.9268121112271848
Energy: 0.9625247943346676
Energy: 0.9516870586193522
Energy: 0.9625247943358797
Energy: 1.5231982128059718
Energy: 1.1140209324085162
Energy: 1.079959594378657
Energy: 1.1140209323782109
Energy: 1.477222774787361
Energy: 1.1941547918903217
Energy: 0.9548772554886571
Energy: 1.1941547918915338
Energy: 1.5232764243985382
Energy: 1.1371023275545886
Energy: 1.0052120122680328
Energy: 1.1371023275545886
Energy: 1.5681515073594499
Energy: 1.1267033084271054
Energy: 0.9520266489168362
Energy: 1.1267033084258933
Energy: 1.39354167382417
Energy: 1.188719581748507
Energy: 1.0996012466432452
Energy: 1.188719581748507

minimum gb energy = 0.9150573715297381 eV
minimum distance =  2.28277342828775 Angstroms
sigma value = 1


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

Energy: 1.6188129384230991
Energy: 1.2762249856981829
Energy: 1.9778229161044922
Energy: 1.2762249857009471
Energy: 1.3875094905487766
Energy: 1.0988678989191234
Energy: 1.1782507795368058
Energy: 1.0988678989232696
Energy: 1.480479209222245
Energy: 1.0074188170108898
Energy: 1.028862095831553
Energy: 1.0074188170108898
Energy: 0.94205693128163
Energy: 1.2420873049297458
Energy: 1.1647875676308876
Energy: 1.2420873049297458
Energy: 0.9420806183743166
Energy: 1.1824199627186243
Energy: 1.5194096103704857
Energy: 1.182419962714478
Energy: 1.490917853851004
Energy: 0.971738828823117
Energy: 0.9655296562893029
Energy: 0.9717388287982389
Energy: 1.1311761021530307
Energy: 1.1592347301617558
Energy: 1.028672317987235
Energy: 1.15923473016452
Energy: 0.965514295895094
Energy: 0.9890537214127542
Energy: 1.4998706959784702
Energy: 0.9890537214127542
Energy: 1.0406619639617858
Energy: 1.1805815934144461
Energy: 1.4261776572683178
Energy: 1.1805815934144461
Energy: 1.7533049672544956
Energy: 0.9696638732261311
Energy: 0.9421767980728707
Energy: 0.9696638732275134
Energy: 1.033985848974195
Energy: 1.2401442307479011
Energy: 1.4311855555388298
Energy: 1.2401442307479011
Energy: 1.0425774768408125
Energy: 1.1238272595600791
Energy: 1.8991209315463187
Energy: 1.1238272595600791
Energy: 1.0454231512847232
Energy: 1.1899398825914291
Energy: 1.49925927424225
Energy: 1.189939882590047
Energy: 1.0454231512847232
Energy: 1.1087899875478087
Energy: 1.4991355058994147
Energy: 1.108789987549191
Energy: 1.0423051449942708
Energy: 1.1217349293619896
Energy: 1.8992244825141025
Energy: 1.1217349293619896
Energy: 1.0339397742210839
Energy: 1.246284376445131
Energy: 1.4262736024236955
Energy: 1.246284376445131
Energy: 1.7533049676026338
Energy: 0.9498503049625874
Energy: 0.9421718926093107
Energy: 0.9498503049612053
Energy: 1.032578827285582
Energy: 1.177711790835707
Energy: 1.4272148979597312
Energy: 1.177711790835707
Energy: 0.9655239059809422
Energy: 0.9782472525224218
Energy: 1.4998706959798522
Energy: 0.9782472525320968
Energy: 1.1311069006064627
Energy: 1.1656521999970186
Energy: 1.0492433503397263
Energy: 1.1656521999984009
Energy: 1.4876087088671162
Energy: 0.969149275371796
Energy: 0.9654404028256965
Energy: 0.9691492752460855
Energy: 0.9420835630088065
Energy: 1.2418189348368927
Energy: 1.5194096103718675
Energy: 1.2418189348368927
Energy: 0.9419263048067598
Energy: 1.2396603694302841
Energy: 1.1647875676308876
Energy: 1.2396603694302841
Energy: 1.4900245031788217
Energy: 1.000736560176873
Energy: 1.0289187285718955
Energy: 1.0007365601754907
Energy: 1.3880501909532912
Energy: 1.1707785508422897
Energy: 1.1782507795354238
Energy: 1.1707785508422897
Energy: 1.6188129384230991
Energy: 1.2762249875604696
Energy: 1.9778229160713527
Energy: 1.2762249876364549
Energy: 1.3875094905487766
Energy: 1.0988678991263479
Energy: 1.1782507795368058
Energy: 1.098867899137405
Energy: 1.480479209222245
Energy: 1.0074188170108898
Energy: 1.028862095831553
Energy: 1.0074188170095077
Energy: 0.94205693128163
Energy: 1.2420873049297458
Energy: 1.1647875676308876
Energy: 1.2420873049311278

minimum gb energy = 0.9419263048067598 eV
minimum distance =  2.29868385856139 Angstroms
sigma value = 25


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

Energy: 1.405835742987766
Energy: 1.7460170602824627
Energy: 2.0312129319161256
Energy: 1.7460170602824627
Energy: 1.519819197251075
Energy: 1.2364610488102765
Energy: 1.2170338416438082
Energy: 1.2364610488102765
Energy: 1.5271733155955682
Energy: 1.074262595624027
Energy: 1.0807845062665666
Energy: 1.0742625956272402
Energy: 1.3068780980430588
Energy: 1.2453266703261983
Energy: 1.2428921392779435
Energy: 1.2453266703261983
Energy: 1.306413936272825
Energy: 1.2086567467361935
Energy: 1.3564309536581405
Energy: 1.20865674672816
Energy: 1.5268080764599758
Energy: 1.0277959111926416
Energy: 1.0185134027608818
Energy: 1.0277959161631096
Energy: 1.172846421823309
Energy: 1.2820138137331538
Energy: 1.0885555155441988
Energy: 1.2820138137331538
Energy: 1.0404214337602633
Energy: 1.0516541459133264
Energy: 1.6065539773470523
Energy: 1.0516541459133264
Energy: 1.214950360161886
Energy: 1.2748638315635592
Energy: 1.2979942492704637
Energy: 1.2748638315635592
Energy: 1.1162675670912034
Energy: 1.0224690853452298
Energy: 1.3892918540073498
Energy: 1.022462385116596
Energy: 1.1535666469205612
Energy: 1.27767476030872
Energy: 1.521658764986072
Energy: 1.27767476030872
Energy: 1.151908331419462
Energy: 1.0560801474781636
Energy: 1.5199248408440045
Energy: 1.0560801473432384
Energy: 1.1213288333524205
Energy: 1.0261042636534299
Energy: 1.3886613212168646
Energy: 1.0261042637738949
Energy: 1.2066786584451836
Energy: 1.2771199608524437
Energy: 1.2979852535485588
Energy: 1.2771199608524437
Energy: 1.0466942336157807
Energy: 1.048999109711453
Energy: 1.8782111487314221
Energy: 1.048999109711453
Energy: 1.1822286244491238
Energy: 1.2449219084517293
Energy: 1.0187665223520563
Energy: 1.2449219084501224
Energy: 1.8889935615082325
Energy: 1.0523564429971008
Energy: 1.018596256486546
Energy: 1.0523564430276278
Energy: 1.3215003661224123
Energy: 1.0247911072183322
Energy: 1.401556274578985
Energy: 1.024791108050231
Energy: 1.1634576480838859
Energy: 1.248287111490226
Energy: 1.24911413228677
Energy: 1.248287111490226
Energy: 1.382358902358963
Energy: 1.0545717014769822
Energy: 1.0819180575818403
Energy: 1.0545717015348228
Energy: 1.5236698430477953
Energy: 1.0383896452439858
Energy: 1.0762323737572683
Energy: 1.0383896454126147
Energy: 1.3908036260682464
Energy: 1.2797109331245828
Energy: 1.093735168557734
Energy: 1.2797109331229763
Energy: 1.5212760592823413
Energy: 1.1953778625611202
Energy: 1.2257414199546977
Energy: 1.1953778625707603
Energy: 1.7841290555884628
Energy: 1.0665016910911556
Energy: 1.0652676585521006
Energy: 1.0665016910911556
Energy: 1.3067491204994717
Energy: 1.2109081337446241
Energy: 1.11039115465837
Energy: 1.2109081337446241

minimum gb energy = 1.0185134027608818 eV
minimum distance =  2.28924696006616 Angstroms
sigma value = 9


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

Energy: 1.0313521676550899
Energy: 1.0374882060682562
Energy: 2.0271271807744555
Energy: 1.0374882060690402
Energy: 1.03046829956111
Energy: 1.2847746408430256
Energy: 1.071329107033096
Energy: 1.2847746408428296
Energy: 1.2044918129834064
Energy: 1.129530944950628
Energy: 1.1893734820310666
Energy: 1.129530945328428
Energy: 1.0713247203434828
Energy: 1.07605620598514
Energy: 1.071248701360357
Energy: 1.0760562060288308
Energy: 1.1675728255417064
Energy: 1.1379837504893677
Energy: 1.2654102217389023
Energy: 1.1379837484982613
Energy: 1.8677120212820788
Energy: 1.0774090257660884
Energy: 1.0713931497178828
Energy: 1.0774090257680051
Energy: 1.1698047413659782
Energy: 1.2257188604728817
Energy: 1.1782819181682855
Energy: 1.2257188604661735
Energy: 1.163833382625936
Energy: 1.1672699813953842
Energy: 1.7264864394923165
Energy: 1.1672699813946217
Energy: 1.4192273127255826
Energy: 1.2298537488104706
Energy: 1.0304110870265935
Energy: 1.2298537488096863
Energy: 1.2647690652497319
Energy: 1.0343858037777136
Energy: 1.0304654929752524
Energy: 1.0343858037779097
Energy: 1.1241557124783672
Energy: 1.0809656768425544
Energy: 1.680777119948276
Energy: 1.0809656768425544
Energy: 1.1644378239884674
Energy: 1.0426466392724207
Energy: 1.2598376217923908
Energy: 1.0426466392689795
Energy: 1.4078708478551738
Energy: 1.0735808070842965
Energy: 1.0717790084638719
Energy: 1.0735808070846886
Energy: 1.2095269993574416
Energy: 1.1202511654232667
Energy: 1.2537645610943038
Energy: 1.1202511654232667
Energy: 1.071780751391955
Energy: 1.0737249682698828
Energy: 1.4078708479166813
Energy: 1.073724968270079
Energy: 1.1629205043100246
Energy: 1.0449936911078404
Energy: 1.164797349071769
Energy: 1.0449936911099313
Energy: 1.6854571380571064
Energy: 1.1293571602624948
Energy: 1.072159401818576
Energy: 1.129357159036964
Energy: 1.0304764772307586
Energy: 1.0359046200581628
Energy: 1.2647690652506902
Energy: 1.0359046200579665
Energy: 1.0304321823044966
Energy: 1.309355648009769
Energy: 1.4192273127192665
Energy: 1.3093556480181978
Energy: 1.7259489054322321
Energy: 1.165515493245468
Energy: 1.163932327683148
Energy: 1.1655154932458385
Energy: 1.1963943703993045
Energy: 1.2131910426959376
Energy: 1.1731539896992462
Energy: 1.2131910426938248

minimum gb energy = 1.0304110870265935 eV
minimum distance =  2.31422204824931 Angstroms
sigma value = 25


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

Energy: 1.1872601908592417
Energy: 1.7698025134539346
Energy: 1.9728073684526115
Energy: 1.7698025134534499
Energy: 1.5975387078489693
Energy: 1.273425429954752
Energy: 1.2054880073073777
Energy: 1.2734254299552101
Energy: 1.3544982645766128
Energy: 1.2180588747665368
Energy: 1.2155405515258675
Energy: 1.2180588747667525
Energy: 1.1490678408834456
Energy: 1.3394755040259982
Energy: 1.2715992130282516
Energy: 1.339475504026241
Energy: 1.3610982089755301
Energy: 1.2435425896797552
Energy: 1.6163729903563828
Energy: 1.2435425896806975
Energy: 1.7486902893630742
Energy: 1.1790817560347773
Energy: 1.1839415258096924
Energy: 1.1790817555926851
Energy: 1.326559860983644
Energy: 1.3295516033667978
Energy: 1.2582894994536742
Energy: 1.3295516032319856
Energy: 1.358477381452109
Energy: 1.3417522859009663
Energy: 1.6618911564893355
Energy: 1.3417522859019089
Energy: 1.3317152664394065
Energy: 1.2887637887728272
Energy: 1.2204117257518423
Energy: 1.2887637887728272
Energy: 1.425345428382722
Energy: 1.3244151292792297
Energy: 1.2147788351275923
Energy: 1.3244151292792297
Energy: 1.2335197183630364
Energy: 1.3424309598136406
Energy: 1.6001832807831275
Energy: 1.3424309598136406
Energy: 1.3037805284635087
Energy: 1.3379803022180126
Energy: 1.1889020358708078
Energy: 1.337980302218713
Energy: 1.4814791448585731
Energy: 1.1978281022452304
Energy: 1.1875430738172816
Energy: 1.1978281022447725
Energy: 1.6271987373295482
Energy: 1.2988413268468495
Energy: 1.4611878641997076
Energy: 1.2988413270005974
Energy: 1.6261026240226855
Energy: 1.3016071611518234
Energy: 1.3816740650783224
Energy: 1.3016071611515807
Energy: 1.6447726429477392
Energy: 1.2467528353366866
Energy: 1.2548801398977383
Energy: 1.2467528353355015
Energy: 1.3789806630882668
Energy: 1.295015708988512
Energy: 1.2650826117754588
Energy: 1.2950157089887544

minimum gb energy = 1.1490678408834456 eV
minimum distance =  2.30316431714085 Angstroms
sigma value = 17


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

Energy: 1.6835418435504212
Energy: 1.5748137341544604
Energy: 2.11129906239301
Energy: 1.5748137341544604
Energy: 1.44190034758946
Energy: 1.2971003382157207
Energy: 1.319588449845427
Energy: 1.2971003382143782
Energy: 1.5992623953826308
Energy: 1.3299964056497202
Energy: 1.2509628035046119
Energy: 1.3299964056497202
Energy: 1.2524615336146423
Energy: 1.3362942824912543
Energy: 1.383479457343634
Energy: 1.3362942824912543
Energy: 1.298762969789504
Energy: 1.2897647810162742
Energy: 1.6094980034405155
Energy: 1.2897647810162742
Energy: 1.578633963752356
Energy: 1.2585786504892105
Energy: 1.2564471316957602
Energy: 1.2585786504382284
Energy: 1.343007561907439
Energy: 1.3360038341999543
Energy: 1.5363222155372198
Energy: 1.3360038342012968
Energy: 1.3086824921312479
Energy: 1.2973404207492727
Energy: 1.605159662656141
Energy: 1.2973404207479304
Energy: 1.3097106403762122
Energy: 1.341443001712167
Energy: 1.2245184978698191
Energy: 1.3414430017135095
Energy: 1.5027295238709557
Energy: 1.3271943717869101
Energy: 1.378044337930469
Energy: 1.3271943717895949
Energy: 1.258795992747588
Energy: 1.3152946313202554
Energy: 1.5089384394978638
Energy: 1.3152946313202554
Energy: 1.3709221570450063
Energy: 1.3439437452436225
Energy: 1.3066234738067533
Energy: 1.3439437452436225
Energy: 1.598292830842387
Energy: 1.365948047181368
Energy: 1.3230665983653136
Energy: 1.3659480471827108
Energy: 1.25861659840379
Energy: 1.3276871515401931
Energy: 1.4028431485209492
Energy: 1.3276871515388506
Energy: 1.3488356486245456
Energy: 1.3497878348297072
Energy: 1.5378164212572618
Energy: 1.3497878348297072
Energy: 1.4992041774303826
Energy: 1.3324056286673518
Energy: 1.2300615443906784
Energy: 1.3324056286660093
Energy: 1.3238680519945614
Energy: 1.3816472400914148
Energy: 1.3616137383676288
Energy: 1.3816472400914148
Energy: 1.349183532780392
Energy: 1.364364089671358
Energy: 1.4512592106384683
Energy: 1.364364089667331
Energy: 1.3445699544732534
Energy: 1.335546738957651
Energy: 1.3961661381254065
Energy: 1.335546738957651
Energy: 1.6144932884354752
Energy: 1.3129304299182574
Energy: 1.5285277127291297
Energy: 1.3129304299330242
Energy: 1.2601474191671234
Energy: 1.3793128187276305
Energy: 1.4952699158157985
Energy: 1.3793128187276305
Energy: 1.2736605147143665
Energy: 1.3514147305298991
Energy: 1.3281630497171457
Energy: 1.351414730532584
Energy: 1.4811623187996497
Energy: 1.3248112332869488
Energy: 1.3157382778723556
Energy: 1.3248112332856063
Energy: 1.5209370803562372
Energy: 1.2982196197916225
Energy: 1.4842571507151863
Energy: 1.298219619783568
Energy: 1.5288497262720286
Energy: 1.3591798642830748
Energy: 1.5364954992837185
Energy: 1.3591798642830748
Energy: 1.5273346792769533
Energy: 1.2993017179239452
Energy: 1.3299777045230732
Energy: 1.2993017179333424
Energy: 1.296602291838319
Energy: 1.351528483281961
Energy: 1.2846514299061664
Energy: 1.3515284832806187
Energy: 1.2733423315298695
Energy: 1.3145507583016092
Energy: 1.5200649161691877
Energy: 1.3145507583016092
Energy: 1.43133527216843
Energy: 1.313707189107824
Energy: 1.5269840214389123
Energy: 1.3137071890876875
Energy: 1.4253699767906036
Energy: 1.2694256812356752
Energy: 1.2543361283315324
Energy: 1.2694256813041094

minimum gb energy = 1.2245184978698191 eV
minimum distance =  2.29997486507453 Angstroms
sigma value = 53


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

Energy: 1.2551302668404023
Energy: 1.2769254974123823
Energy: 1.9460225413390533
Energy: 1.2769254974136468
Energy: 1.3845286447257337
Energy: 1.2688783343925227
Energy: 1.3764570326980023
Energy: 1.2688783343925227
Energy: 1.741056030878279
Energy: 1.3360808776829582
Energy: 1.3369128526838727
Energy: 1.3360808776903683
Energy: 1.3370741161549557
Energy: 1.3343900257328312
Energy: 1.7237481488211608
Energy: 1.334390025731286
Energy: 1.3144679674806394
Energy: 1.270679124208426
Energy: 1.384798357156088
Energy: 1.2706791241827888
Energy: 1.9460225403672238
Energy: 1.2769254974136468
Energy: 1.2551302668404023
Energy: 1.2769254974139277
Energy: 1.3764570326977215
Energy: 1.2688783343637948
Energy: 1.3845286447263658
Energy: 1.2688783343712051
Energy: 1.3369128526835918
Energy: 1.3360808776897715
Energy: 1.741056030878279
Energy: 1.3360808776860487
Energy: 1.723748148822706
Energy: 1.3343900257297405
Energy: 1.3370741161549557
Energy: 1.3343900257306538
Energy: 1.384798357156088
Energy: 1.2706791242455122
Energy: 1.3144679674803232
Energy: 1.2706791242831956
Energy: 1.2551302668404023
Energy: 1.2769254974145599
Energy: 1.946022539891494
Energy: 1.2769254974145599
Energy: 1.3845286447257337
Energy: 1.2688783343576138
Energy: 1.3764570326983185
Energy: 1.268878334359159
Energy: 1.74105603087856
Energy: 1.336080877692546
Energy: 1.336912852684189
Energy: 1.3360808776866808

minimum gb energy = 1.2551302668404023 eV
minimum distance =  2.31763043084167 Angstroms
sigma value = 9


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

Energy: 1.4798790416845362
Energy: 1.48984500374285
Energy: 1.9997248812353445
Energy: 1.4898450037462814
Energy: 1.673912888409223
Energy: 1.416086077633868
Energy: 1.4648325220563674
Energy: 1.416086077633868
Energy: 1.4690272072037962
Energy: 1.3279542307036447
Energy: 1.2978216464818837
Energy: 1.3279542307036447
Energy: 1.3056677289148735
Energy: 1.3907339492114599
Energy: 1.5351664837889714
Energy: 1.3907339492091721
Energy: 1.3897740632726658
Energy: 1.3776105851391534
Energy: 1.7026545450303656
Energy: 1.3776105851391534
Energy: 1.6259524708185604
Energy: 1.3998592553938347
Energy: 1.4794447391431045
Energy: 1.3998592553938347
Energy: 1.4747514813463511
Energy: 1.4070492410507165
Energy: 1.675764407226998
Energy: 1.4070492410358462
Energy: 1.288535334192253
Energy: 1.3801863280301445
Energy: 1.4932694386130918
Energy: 1.3801863280290008
Energy: 1.4712192508639372
Energy: 1.405046494360358
Energy: 1.3281351140853634
Energy: 1.405046494360358
Energy: 1.5355536501951825
Energy: 1.3759203004179974
Energy: 1.3884678530186074
Energy: 1.3759203004202851
Energy: 1.3177896518909498
Energy: 1.4134726844185201
Energy: 1.6573575862609222
Energy: 1.413472684419664
Energy: 1.7154874547566732
Energy: 1.384483369511517
Energy: 1.4669493512846552
Energy: 1.384483369511517
Energy: 1.454492008809334
Energy: 1.3613509524864846
Energy: 1.3471275445626019
Energy: 1.3613509524853409
Energy: 1.418010288057975
Energy: 1.4607862651217276
Energy: 1.6073564230014792
Energy: 1.4607862651217276
Energy: 1.3603717297915079
Energy: 1.3724819564368045
Energy: 1.4413555631841994
Energy: 1.3724819564368045
Energy: 1.644510032900655
Energy: 1.3580402441646224
Energy: 1.3552125307589336
Energy: 1.3580402441657662
Energy: 1.5173017916366258
Energy: 1.3543096418552258
Energy: 1.674957323686272
Energy: 1.3543096418369243
Energy: 1.3200453788441446
Energy: 1.3921333618982514
Energy: 1.4030420679101445
Energy: 1.3921333618982514
Energy: 1.7422708925096078
Energy: 1.4364368698693462
Energy: 1.3928874021987099
Energy: 1.43643686987049
Energy: 1.4200668724649548
Energy: 1.3712952312537863
Energy: 1.3319045614082932
Energy: 1.3712952312537863
Energy: 1.3808983821679999
Energy: 1.3814786202726628
Energy: 1.6753224295995108
Energy: 1.3814786202738067
Energy: 1.5857562260476528
Energy: 1.3565428311758896
Energy: 1.5229391938342771
Energy: 1.3565428311747458
Energy: 1.4514407044952122
Energy: 1.385475101644776
Energy: 1.4628683411773873
Energy: 1.385475101644776
Energy: 1.4775648026485324
Energy: 1.412546421657903
Energy: 1.6497720972054601
Energy: 1.4125464216590469
Energy: 1.3641330513903638
Energy: 1.3723642761450277
Energy: 1.3644404831687
Energy: 1.3723642761461714
Energy: 1.664231953628439
Energy: 1.3934222342225457
Energy: 1.3926615121125685
Energy: 1.3934222342294087
Energy: 1.5814335213818578
Energy: 1.3526986915107002
Energy: 1.6027788110021135
Energy: 1.352698691529002
Energy: 1.4548308172470221
Energy: 1.3549586428734366
Energy: 1.6059274621663477
Energy: 1.3549586428745808
Energy: 1.781662812175186
Energy: 1.426287357252575
Energy: 1.3922752442065207
Energy: 1.4262873572502872
Energy: 1.4294446626541537
Energy: 1.3733892265450525
Energy: 1.373624016078625
Energy: 1.3733892265450525
Energy: 1.4696563706101142
Energy: 1.4117147077816001
Energy: 1.7299683613102357
Energy: 1.411714707782744
Energy: 1.451116429165956
Energy: 1.3697060461129658
Energy: 1.4726400494780418
Energy: 1.3697060461118218
Energy: 1.6765189757338097
Energy: 1.3570909867258965
Energy: 1.4756488201056943
Energy: 1.3570909867270404
Energy: 1.362320000382498
Energy: 1.366065213985927
Energy: 1.6735338970920335
Energy: 1.36606521397792
Energy: 1.4119583830921951
Energy: 1.3618345469917479
Energy: 1.3361267042931433
Energy: 1.36183454699284

minimum gb energy = 1.288535334192253 eV
minimum distance =  2.2736783416018 Angstroms
sigma value = 73


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

Energy: 1.5497259747081686
Energy: 1.3998588144484287
Energy: 2.178750227122191
Energy: 1.3998588144484287
Energy: 1.533693221160501
Energy: 1.3533436034362256
Energy: 1.3935539292439485
Energy: 1.35334360343604
Energy: 1.3171275124528605
Energy: 1.413272505552267
Energy: 1.2751311042012219
Energy: 1.413272505552267
Energy: 1.3166253282326266
Energy: 1.368648217649517
Energy: 1.557582816290251
Energy: 1.3686482176511463
Energy: 1.4709245952586731
Energy: 1.3472364041368678
Energy: 1.581282059401029
Energy: 1.3472364041370533
Energy: 1.853489248973061
Energy: 1.4200485716818347
Energy: 1.2929128726325032
Energy: 1.4200485716816493
Energy: 1.397811096657249
Energy: 1.421197026956559
Energy: 1.5576246687455944
Energy: 1.421197026956559
Energy: 1.3123909298243288
Energy: 1.3632267196148007
Energy: 1.5413197972114117
Energy: 1.3632267196155226
Energy: 1.6136374797407391
Energy: 1.4301002620420784
Energy: 1.4005268668564936
Energy: 1.4301002620415215
Energy: 1.4062236368081915
Energy: 1.4263433035375968
Energy: 1.3925789831438977
Energy: 1.4263433035374113
Energy: 1.3101844519672685
Energy: 1.3500752718257512
Energy: 1.7446328631379049
Energy: 1.3500752718257512
Energy: 1.6407657219224063
Energy: 1.3430065576043457
Energy: 1.5505306566007466
Energy: 1.3430065576038095
Energy: 1.4659371569376294
Energy: 1.4109898903971998
Energy: 1.2913505540712025
Energy: 1.4109898903971998
Energy: 1.4250802838148335
Energy: 1.5044315291386825
Energy: 1.8941165284450256
Energy: 1.5044315291386825
Energy: 1.3163886073215176
Energy: 1.3566839642103405
Energy: 1.4200983283027562
Energy: 1.3566839642105262
Energy: 1.500464544355148
Energy: 1.4091739532287946
Energy: 1.361969677080495
Energy: 1.409173953227887
Energy: 1.5312975585568045
Energy: 1.335586406764139
Energy: 1.7017625049630456
Energy: 1.335586406809489
Energy: 1.5218059430678492
Energy: 1.3653039844321462
Energy: 1.701930878453791
Energy: 1.3653039844317956
Energy: 1.7504429730655435
Energy: 1.4388389070721754
Energy: 1.4781427930133848
Energy: 1.4388389070714536
Energy: 1.3167513893158604
Energy: 1.3568073359337403
Energy: 1.2754457112901942
Energy: 1.3568073359339259
Energy: 1.4677154438872466
Energy: 1.453252400447076
Energy: 1.9189765225514814
Energy: 1.4532524002058087
Energy: 1.463336476009631
Energy: 1.3601634651949095
Energy: 1.2913009974031302
Energy: 1.360163465194724

minimum gb energy = 1.2751311042012219 eV
minimum distance =  2.2758549930611 Angstroms
sigma value = 7


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

Energy: 1.93202918145254
Energy: 1.3587104424892524
Energy: 1.9163553930346793
Energy: 1.3587104393684268
Energy: 1.6691616614480433
Energy: 1.44571248823036
Energy: 1.4186542862400424
Energy: 1.445712487927654
Energy: 1.3893789415669804
Energy: 1.4185259537514647
Energy: 1.4142757136640867
Energy: 1.4185259537514647
Energy: 1.34031133498738
Energy: 1.3221055855410586
Energy: 1.4314125650358402
Energy: 1.3221055855436255
Energy: 1.408591284158806
Energy: 1.4333147754633402
Energy: 1.3590603885054884
Energy: 1.4333147754646234
Energy: 1.7461551450993362
Energy: 1.3646436372849
Energy: 1.3592437919417426
Energy: 1.3646436372861832
Energy: 1.3878180591465366
Energy: 1.467534717208855
Energy: 1.6954150698620725
Energy: 1.467534717208855
Energy: 1.3591048000644428
Energy: 1.362403044855621
Energy: 1.4451512453138051
Energy: 1.3624030448569042
Energy: 1.760178863126258
Energy: 1.4393712486067436
Energy: 1.4222177834948013
Energy: 1.4393712486067436
Energy: 1.4385555412029307
Energy: 1.3488558109872537
Energy: 1.3319846927855246
Energy: 1.3488558109859707
Energy: 1.4287202082606871
Energy: 1.3939477663460536
Energy: 1.5724526098512568
Energy: 1.393947766347337
Energy: 1.6790413441422873
Energy: 1.3423027779524124
Energy: 1.5785262140407674
Energy: 1.3423027779511292
Energy: 1.7014210364639937
Energy: 1.383508622140901
Energy: 1.560713101940567
Energy: 1.383508622140901
Energy: 1.536213639959215
Energy: 1.4542846038989976
Energy: 1.7659250250637457
Energy: 1.4542846038951478
Energy: 1.398843826575054
Energy: 1.3362698839609957
Energy: 1.322940984351779
Energy: 1.3362698839609957
Energy: 1.8185550429981034
Energy: 1.4748047924000398
Energy: 1.4117706661567344
Energy: 1.4748047924000398
Energy: 1.3604911708843463
Energy: 1.3552660535272278
Energy: 1.4396894749303035
Energy: 1.3552660535272278
Energy: 1.3813598744477071
Energy: 1.3920424019739106
Energy: 1.7103626946594093
Energy: 1.3920424019726272
Energy: 1.7488517782563702
Energy: 1.374241030999914
Energy: 1.388266808317942
Energy: 1.3742410310063302
Energy: 1.410508605501928
Energy: 1.4001972901150832
Energy: 1.4044825813573019
Energy: 1.4001972901163662
Energy: 1.3225587308501887
Energy: 1.4499647240277689
Energy: 1.5857686570415324
Energy: 1.4499647240264857
Energy: 1.32113097078014
Energy: 1.403393858291931
Energy: 1.429136522648999
Energy: 1.403393858291931
Energy: 1.6874588781947883
Energy: 1.390383893512962
Energy: 1.4817658896994046
Energy: 1.3903838935142454
Energy: 1.850050481304998
Energy: 1.3994256280929829
Energy: 1.8994227315398218
Energy: 1.3994256288946767
Energy: 1.66811833130528
Energy: 1.3570406246912787
Energy: 1.4086793455729698
Energy: 1.3570406246668967
Energy: 1.594348359974005
Energy: 1.409467764865956
Energy: 1.3990941602189502
Energy: 1.409467764865956
Energy: 1.3232018318363705
Energy: 1.3254752960464815
Energy: 1.482621734132546
Energy: 1.3254752960477647
Energy: 1.4104296600438289
Energy: 1.369172779025563
Energy: 1.7280942724132964
Energy: 1.3691727790525117
Energy: 1.4064591731294962
Energy: 1.3526679809051576
Energy: 1.3761277106942111
Energy: 1.3526679809064408
Energy: 1.6781140554207876
Energy: 1.371408713067808
Energy: 1.6757790552451086
Energy: 1.371408713067808
Energy: 1.375482310744681
Energy: 1.368575364505356
Energy: 1.5941078739849928
Energy: 1.3685753645066394

minimum gb energy = 1.32113097078014 eV
minimum distance =  2.28157477288809 Angstroms
sigma value = 29


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

Energy: 1.154696051623388
Energy: 1.2795603500280437
Energy: 1.7978434524129934
Energy: 1.2795603500280437
Energy: 1.6545012372261416
Energy: 1.2338677493653554
Energy: 1.2740251374513123
Energy: 1.2338677493089838
Energy: 1.829863553290568
Energy: 1.2026484113506206
Energy: 1.2120812553045164
Energy: 1.2026484113501736
Energy: 1.6835082889634543
Energy: 1.2801327850155608
Energy: 1.2111599674257525
Energy: 1.2801327850155608
Energy: 1.7185727528769517
Energy: 1.2684375087800592
Energy: 1.2986921259854818
Energy: 1.268437508759522
Energy: 1.5522946402796116
Energy: 1.3154154230169939
Energy: 1.2107621348349265
Energy: 1.3154154230169939
Energy: 1.3733701839858883
Energy: 1.2391161344988981
Energy: 1.5535648090617808
Energy: 1.2391161344988981
Energy: 1.153507741149758
Energy: 1.2660556685645818
Energy: 2.05960586101714
Energy: 1.2660556685121338
Energy: 1.6774613255767288
Energy: 1.3350188307528672
Energy: 1.3457446565314668
Energy: 1.3350188307532893

minimum gb energy = 1.153507741149758 eV
minimum distance =  2.32090327613876 Angstroms
sigma value = 5


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

Energy: 1.5546939563872302
Energy: 1.304396965367908
Energy: 2.0602753532690303
Energy: 1.304396965367908
Energy: 1.6428626314332926
Energy: 1.2702658825943696
Energy: 1.3691715117316459
Energy: 1.2702514299740655
Energy: 1.3120269896574563
Energy: 1.3133206734821796
Energy: 1.4061002148535902
Energy: 1.3133206734833918
Energy: 1.3121848090246204
Energy: 1.3549327116510523
Energy: 1.4366565210077198
Energy: 1.3549327116510523
Energy: 1.2444298324976506
Energy: 1.3011421879685816
Energy: 1.2969653222820698
Energy: 1.301142187969794
Energy: 1.3877938638299
Energy: 1.3303145396725446
Energy: 1.321202246452034
Energy: 1.3303145396713325
Energy: 1.3937310035601058
Energy: 1.2960608672148997
Energy: 1.4289352604440235
Energy: 1.2960608672161118
Energy: 1.3963513238332201
Energy: 1.3028729347460661
Energy: 1.60772858171399
Energy: 1.3028729347460661
Energy: 1.6010290750919776
Energy: 1.2748647716677375
Energy: 1.3866334302343528
Energy: 1.2748647706378609
Energy: 1.5209143872330113
Energy: 1.2753012004874122
Energy: 1.3894556801081321
Energy: 1.2753012004862
Energy: 1.3221813109278766
Energy: 1.3063580974670415
Energy: 1.422978003235842
Energy: 1.3063580974658295
Energy: 1.315438134161157
Energy: 1.3065329838494155
Energy: 1.2734941570093652
Energy: 1.3065329838494155
Energy: 1.4738378279291264
Energy: 1.5068077471633718
Energy: 1.3755310024392677
Energy: 1.5068077471621595
Energy: 1.2865643405512053
Energy: 1.2933121193882637
Energy: 1.2722077578707485
Energy: 1.2933121193870516
Energy: 1.3968898797201732
Energy: 1.4173409879519634
Energy: 1.5172643306481708
Energy: 1.4173409879495387
Energy: 1.6242344682086425
Energy: 1.3114079820776827
Energy: 1.4800468161039229
Energy: 1.3114079820776827
Energy: 1.5830077717020057
Energy: 1.4083178506224168
Energy: 1.5357237128137968
Energy: 1.4083178506224168
Energy: 1.3781031282647935
Energy: 1.2984068739014654
Energy: 1.5741000052478025
Energy: 1.2984068739002532
Energy: 1.4082832092824653
Energy: 1.3424331244205792
Energy: 1.3480346030637496
Energy: 1.3424331244205792
Energy: 1.3311484896269832
Energy: 1.3172888734598605
Energy: 1.3422906717380019
Energy: 1.3172888734586483
Energy: 1.3158914901502856
Energy: 1.3516133229923564
Energy: 1.3452018498907854
Energy: 1.351613322991144
Energy: 1.3628241703417325
Energy: 1.314974180154434
Energy: 1.2993514837766933
Energy: 1.314974180154434
Energy: 1.3806700505989111
Energy: 1.3055667602723808
Energy: 1.3003940628064687
Energy: 1.3055667602760175
Energy: 1.5247497277598157
Energy: 1.2713256040322711
Energy: 1.7315295068679988
Energy: 1.271325603989844
Energy: 1.521519803274232
Energy: 1.279172077950868
Energy: 1.7279356339754688
Energy: 1.2791720779472315
Energy: 1.4146125924675987
Energy: 1.3209509676162932
Energy: 1.3092502574355604
Energy: 1.3209509676162932
Energy: 1.3522035306019393
Energy: 1.3043580603738123
Energy: 1.3004528827913622
Energy: 1.3043580603738123
Energy: 1.3677746477101538
Energy: 1.3812619587895467
Energy: 1.494086601820899
Energy: 1.3812619587798491
Energy: 1.3086654050966746
Energy: 1.3043442312108324
Energy: 1.3258480065974203
Energy: 1.3043442312120446
Energy: 1.5225290405215435
Energy: 1.4026157194669524
Energy: 1.4206836871718893
Energy: 1.4026157195238704
Energy: 1.3426716390955336
Energy: 1.2968187038690988
Energy: 1.4264695047589153
Energy: 1.296818703870311
Energy: 1.416527101863008
Energy: 1.263712233342291
Energy: 1.6654981541134668
Energy: 1.2637122333362298
Energy: 1.753849341275071
Energy: 1.2969359370659523
Energy: 1.3851170849972565
Energy: 1.2969359370659523

minimum gb energy = 1.2444298324976506 eV
minimum distance =  2.28007704243711 Angstroms
sigma value = 1


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

Energy: 1.6192790176085627
Energy: 1.2529518125867578
Energy: 1.967299565185915
Energy: 1.2529518125867578
Energy: 1.5647890570326624
Energy: 1.2348947480981678
Energy: 1.4109442060475301
Energy: 1.234894748081407
Energy: 1.3815273899575178
Energy: 1.2846308369768968
Energy: 1.68831962862136
Energy: 1.2846308369768968
Energy: 1.3165269691999022
Energy: 1.2962028915810515
Energy: 1.4096338775887756
Energy: 1.2962028915810515
Energy: 1.2816993388520548
Energy: 1.218026213934708
Energy: 1.253767926168035
Energy: 1.218026213934708
Energy: 1.329309716846092
Energy: 1.3174905497053695
Energy: 1.277428376270316
Energy: 1.3174905497053695
Energy: 1.4110597969998662
Energy: 1.2879929852638858
Energy: 1.4148477735315834
Energy: 1.2879929852638858
Energy: 1.4106643096829121
Energy: 1.2779402426438646
Energy: 1.4731205819481574
Energy: 1.2779402426438646
Energy: 1.3912064990367803
Energy: 1.2199455557677445
Energy: 1.2535791730091062
Energy: 1.2199455557677445
Energy: 1.3912064990384563
Energy: 1.2164511503439341
Energy: 1.2538302752043615
Energy: 1.2164511503439341
Energy: 1.4636245141263913
Energy: 1.2924747631625235
Energy: 1.4731205819481574
Energy: 1.2924747631625235
Energy: 1.4105086009530803
Energy: 1.2686828855105696
Energy: 1.4148477735315834
Energy: 1.2686828855088936
Energy: 1.2530162102103353
Energy: 1.3038581664966469
Energy: 1.2783884568370778
Energy: 1.3038581664966469
Energy: 1.2817917963677807
Energy: 1.2215074388858607
Energy: 1.2536315359762058
Energy: 1.2215074388858607
Energy: 1.269148656331564
Energy: 1.3040295932391472
Energy: 1.4675327532024338
Energy: 1.3040295932408235
Energy: 1.3815273899575178
Energy: 1.2847490365266112
Energy: 1.6863298892866048
Energy: 1.2847490365249352
Energy: 1.538813390446376
Energy: 1.3157244800628858
Energy: 1.3580584346618156
Energy: 1.3157244800545056
Energy: 1.6192790176119147
Energy: 1.2529518125867578
Energy: 1.9672995631939416
Energy: 1.2529518125884338
Energy: 1.5647890570326624
Energy: 1.2348947480713506
Energy: 1.410944206049206
Energy: 1.2348947480830832
Energy: 1.3815273899558418
Energy: 1.2846308369768968
Energy: 1.68831962862136
Energy: 1.2846308369768968
Energy: 1.3165269691999022
Energy: 1.2962028915810515
Energy: 1.4096338775954418
Energy: 1.2962028915810515
Energy: 1.2816993388520548
Energy: 1.218026213934708
Energy: 1.253767926168035
Energy: 1.218026213934708
Energy: 1.329309716846092
Energy: 1.3174905497070455
Energy: 1.277428376270316
Energy: 1.3174905497070455
Energy: 1.4110597969998662
Energy: 1.2879929852638858
Energy: 1.4148477735315834
Energy: 1.2879929852638858

minimum gb energy = 1.2164511503439341 eV
minimum distance =  2.26306229584774 Angstroms
sigma value = 17


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

Energy: 1.475482902608525
Energy: 1.2629366857637194
Energy: 1.9632713247271043
Energy: 1.2629366857647553
Energy: 1.5183146786765895
Energy: 1.294208642074992
Energy: 1.4486147122673727
Energy: 1.294208641984912
Energy: 1.279666075672742
Energy: 1.239426507545215
Energy: 1.2842912043368107
Energy: 1.239426507545215
Energy: 1.3783115779975115
Energy: 1.403332044377219
Energy: 1.4368873320709046
Energy: 1.403332044376183
Energy: 1.3444400490743373
Energy: 1.24795638533004
Energy: 1.2832439602212984
Energy: 1.24795638533004
Energy: 1.3537132366872642
Energy: 1.31376599936035
Energy: 1.2972905811946889
Energy: 1.31376599936035
Energy: 1.2753353277977049
Energy: 1.261454496035705
Energy: 1.2515984310349493
Energy: 1.261454496035705
Energy: 1.3059991563447364
Energy: 1.2610239631661804
Energy: 1.3356812387019574
Energy: 1.2610239631651445
Energy: 1.437097080033663
Energy: 1.2466429428184727
Energy: 1.4453906025963728
Energy: 1.2466429428195085
Energy: 1.4946042506685924
Energy: 1.2493651644496704
Energy: 1.444820877368361
Energy: 1.2493651644517423
Energy: 1.3343875810064403
Energy: 1.2496439536189854
Energy: 1.2897342799659217
Energy: 1.2496439536231292
Energy: 1.331482905234234
Energy: 1.2537469513101336
Energy: 1.3435674889439504
Energy: 1.2537469513111694
Energy: 1.3125776615728812
Energy: 1.2612026099372662
Energy: 1.289387964737224
Energy: 1.2612026099351943
Energy: 1.264356249375447
Energy: 1.2474398624077871
Energy: 1.2885134406724172
Energy: 1.2474398624067513
Energy: 1.2638822608793745
Energy: 1.28342815819006
Energy: 1.309199038124826
Energy: 1.2834281581890237
Energy: 1.2672595298883762
Energy: 1.2519281325218101
Energy: 1.3387448481427882
Energy: 1.2519281325218101
Energy: 1.4399248210036502
Energy: 1.265363661097733
Energy: 1.385529572709338
Energy: 1.2653636611329553
Energy: 1.3287021998488895
Energy: 1.23834976066932
Energy: 1.507876497859848
Energy: 1.2383497606713918
Energy: 1.453257217101567
Energy: 1.4002575627087634
Energy: 1.4659635313054504
Energy: 1.4002575627066915
Energy: 1.6252067121066236
Energy: 1.2570354652239282
Energy: 1.5689881624604716
Energy: 1.2570354652270361
Energy: 1.3748720477496892
Energy: 1.3892676755172522
Energy: 1.5250809215727563
Energy: 1.38926767553378
Energy: 1.4091748892718674
Energy: 1.2374433834093228
Energy: 1.2587221090595895
Energy: 1.2374433834103589
Energy: 1.3732703281199037
Energy: 1.3837715327791582
Energy: 1.3814824189728423
Energy: 1.3837715327791582
Energy: 1.2613816601429704
Energy: 1.2600965023988115
Energy: 1.2714746233513154
Energy: 1.2600965023998474
Energy: 1.2990283556565374
Energy: 1.296176529328419
Energy: 1.3422472504447798
Energy: 1.296176529327383
Energy: 1.2811168856004813
Energy: 1.2461052277660616
Energy: 1.2726136404153323
Energy: 1.2461052277650257
Energy: 1.3528749827544164
Energy: 1.261346608402401
Energy: 1.3353820530993268
Energy: 1.261346608402401
Energy: 1.4378028125376532
Energy: 1.25260578068948
Energy: 1.5523675858703891
Energy: 1.252605780688444
Energy: 1.4387599567883294
Energy: 1.2399241864293726
Energy: 1.5854542631550725
Energy: 1.2399241868259516
Energy: 1.279621691674021
Energy: 1.2517504861711437
Energy: 1.272297326126844
Energy: 1.2517504861711437
Energy: 1.2828560622302354
Energy: 1.251799230204575
Energy: 1.335497706116241
Energy: 1.251799230204575
Energy: 1.2612470824969755
Energy: 1.2809186801206818
Energy: 1.2929100585909419
Energy: 1.2809186801206818
Energy: 1.276819443032998
Energy: 1.260826627453966
Energy: 1.2411088205274898
Energy: 1.2608266274550017
Energy: 1.375013762853227
Energy: 1.274307627617141
Energy: 1.3253615662875653
Energy: 1.274307627616105
Energy: 1.3533455426117367
Energy: 1.2381681656210861
Energy: 1.3082616849985451
Energy: 1.2381681656210861
Energy: 1.3916165369962892
Energy: 1.2481889983511387
Energy: 1.4364163841180757
Energy: 1.2481890034395167
Energy: 1.6838098612662769
Energy: 1.2564105237000573
Energy: 1.3309232547699634
Energy: 1.2564105237000573
Energy: 1.4307159397919151
Energy: 1.239146094974124
Energy: 1.5106951629664045
Energy: 1.2391460955550544

minimum gb energy = 1.2374433834093228 eV
minimum distance =  2.2822477182075 Angstroms
sigma value = 89


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

Energy: 1.369505293971745
Energy: 1.1559503284583532
Energy: 1.6364194799352274
Energy: 1.1559503284575217
Energy: 1.3322576317330543
Energy: 1.1951001931439984
Energy: 1.4021226632309995
Energy: 1.1951001931450764
Energy: 1.3724402355604621
Energy: 1.147585325855348
Energy: 1.2816135909555124
Energy: 1.147585325855348
Energy: 1.237788592773307
Energy: 1.2165649902619244
Energy: 1.404771122079106
Energy: 1.216564990261678
Energy: 1.3433482271130535
Energy: 1.2079736531563146
Energy: 1.2167206988232235
Energy: 1.2079736531563146
Energy: 1.2301703758186466
Energy: 1.3775430842223355
Energy: 1.3126746496998767
Energy: 1.3775430842223355
Energy: 1.2274698457682904
Energy: 1.16009277593913
Energy: 1.2164243951979055
Energy: 1.1600927759382984
Energy: 1.262521605948949
Energy: 1.2259014523736822
Energy: 1.3866740601790082
Energy: 1.2259014523739595
Energy: 1.3736896822781806
Energy: 1.2125132959053169
Energy: 1.1708833592051942
Energy: 1.2125132959053169
Energy: 1.3568919040962246
Energy: 1.2022060333601012
Energy: 1.2566292942438242
Energy: 1.2022060333601012
Energy: 1.3137928718227398
Energy: 1.1551644588421481
Energy: 1.386602075006353
Energy: 1.155164458841871
Energy: 1.3137100461175044
Energy: 1.1551804409117312
Energy: 1.3865968477315107
Energy: 1.155180441202717
Energy: 1.3731038716894437
Energy: 1.212325099837621
Energy: 1.1706500346928796
Energy: 1.212325099837621
Energy: 1.3721090458180638
Energy: 1.208788599446178
Energy: 1.168923792046742
Energy: 1.2087885994464553
Energy: 1.2264043764246024
Energy: 1.2139349183112667
Energy: 1.2929981583519816
Energy: 1.213934918310989

minimum gb energy = 1.147585325855348 eV
minimum distance =  2.28698476619907 Angstroms
sigma value = 13


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

Energy: 1.2408275782864489
Energy: 1.1213881874281133
Energy: 1.5569561425182379
Energy: 1.1213881874281133
Energy: 1.326781892509808
Energy: 1.2192713622939164
Energy: 1.262450191373006
Energy: 1.219271362364303
Energy: 1.261332100623418
Energy: 1.1038766362505887
Energy: 1.465618741276974
Energy: 1.1038766362494525
Energy: 1.2177500978629936
Energy: 1.1721221596206919
Energy: 1.2623314530046208
Energy: 1.172122160442866
Energy: 1.1535877771783
Energy: 1.1278861717991406
Energy: 1.183580848140152
Energy: 1.1278861717991406
Energy: 1.2836101928311996
Energy: 1.1356160419896564
Energy: 1.2764910833882468
Energy: 1.135616041987384
Energy: 1.1727081921215923
Energy: 1.1068095955824864
Energy: 1.2643707581279193
Energy: 1.1068095955824864
Energy: 1.238863729596265
Energy: 1.1887447834276603
Energy: 1.1776860385894037
Energy: 1.1887447834299325
Energy: 1.1807229333780298
Energy: 1.130580319216543
Energy: 1.1492931791479148
Energy: 1.130580319216543
Energy: 1.3484438285671085
Energy: 1.1325225999025763
Energy: 1.246741583859805
Energy: 1.1325225999025763
Energy: 1.2111294493466256
Energy: 1.1065405742750498
Energy: 1.2554670712472218
Energy: 1.1065405742750498
Energy: 1.2144042319039428
Energy: 1.102966966342806
Energy: 1.1712749028505511
Energy: 1.102966966342806
Energy: 1.256996764763325
Energy: 1.1176420940204665
Energy: 1.2190323067345032
Energy: 1.1176420940216027
Energy: 1.2518141200358732
Energy: 1.1411029614595563
Energy: 1.3507898445105262
Energy: 1.1411029614595563
Energy: 1.2135766813742224
Energy: 1.1068240483517104
Energy: 1.2542535481111299
Energy: 1.1068240483517104
Energy: 1.2160723834025966
Energy: 1.1038052304588966
Energy: 1.261348093291962
Energy: 1.1038052304554882
Energy: 1.2588041879492118
Energy: 1.134605886867224
Energy: 1.1489026129985458
Energy: 1.134605886867224
Energy: 1.1869322518769734
Energy: 1.134697504116195
Energy: 1.241777151077302
Energy: 1.134697504116195
Energy: 1.1723777900420564
Energy: 1.113186677278316
Energy: 1.1825843771369033
Energy: 1.11318667727718
Energy: 1.182680381282416
Energy: 1.1085303174452326
Energy: 1.1723312759350528
Energy: 1.1085303174452326
Energy: 1.241936074597377
Energy: 1.1344420442076557
Energy: 1.1839632445521617
Energy: 1.1344420442076557
Energy: 1.1500845438258624
Energy: 1.1325032258033052
Energy: 1.258804187950348
Energy: 1.132503225802169
Energy: 1.2613480932930983
Energy: 1.102526461998181
Energy: 1.213947380787435
Energy: 1.1025264619993171
Energy: 1.2542535481111299
Energy: 1.1062766103385029
Energy: 1.210977264562372
Energy: 1.1062766103385029
Energy: 1.3527356502686827
Energy: 1.1286217844530022
Energy: 1.2517328834009633
Energy: 1.1286217844530022
Energy: 1.2188878550048428
Energy: 1.1177025517016812
Energy: 1.2569967647644609
Energy: 1.1177025517016812
Energy: 1.2044426479797716
Energy: 1.103232388374995
Energy: 1.2160483101545987
Energy: 1.1032323883772672
Energy: 1.2554670712494942
Energy: 1.105865056968543
Energy: 1.2106128660178828
Energy: 1.105865056968543
Energy: 1.2410853646985358
Energy: 1.134523211864258
Energy: 1.348680131707639
Energy: 1.134523211864258
Energy: 1.1493600108437336
Energy: 1.1307099675735488
Energy: 1.180783689364058
Energy: 1.1307099675746848
Energy: 1.2114757496003876
Energy: 1.1634150217678734
Energy: 1.2200699163669493
Energy: 1.1634150217667372
Energy: 1.2677473918044957
Energy: 1.105082147486844
Energy: 1.1727352320686892
Energy: 1.105082147486844
Energy: 1.223220719155015
Energy: 1.1354296943860565
Energy: 1.2835349843632773
Energy: 1.1354296943860565
Energy: 1.187232304217634
Energy: 1.1278720474246242
Energy: 1.1535234008982622
Energy: 1.1278720474246242
Energy: 1.2627238645271155
Energy: 1.1285819168554652
Energy: 1.2935120077927063
Energy: 1.1285819167396347

minimum gb energy = 1.102526461998181 eV
minimum distance =  2.29737211099712 Angstroms
sigma value = 37


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

Energy: 1.6717602824185291
Energy: 1.0505226725647006
Energy: 1.5515614831794853
Energy: 1.0505226725649004
Energy: 1.2613310862497429
Energy: 1.1619565615490226
Energy: 1.1913921397246126
Energy: 1.1619565615589955
Energy: 1.2579064948493772
Energy: 1.0319374857510808
Energy: 1.1879244164020755
Energy: 1.0319374857510808
Energy: 1.249148681302165
Energy: 1.0700559384857906
Energy: 1.191005423732254
Energy: 1.0700559384851906
Energy: 1.3324610423908045
Energy: 1.0309474133435568
Energy: 1.2444366778967586
Energy: 1.0309474133437566
Energy: 1.2305924482285286
Energy: 1.0693051061229144
Energy: 1.19778765906717
Energy: 1.0693051061231142
Energy: 1.136692539841122
Energy: 1.0307783989938857
Energy: 1.231444285195932
Energy: 1.0307783989938857
Energy: 1.1898590271804528
Energy: 1.1706701599519942
Energy: 1.2119202875110973
Energy: 1.1706701599523943
Energy: 1.1924102132077015
Energy: 1.0325084193324876
Energy: 1.1632443173384315
Energy: 1.0325084193322875
Energy: 1.2298428922280669
Energy: 1.0706129621818903
Energy: 1.1843954112501878
Energy: 1.0706129621826899
Energy: 1.1209132227143945
Energy: 1.0339126868599546
Energy: 1.2238802668153155
Energy: 1.0339126868597548
Energy: 1.133547187930893
Energy: 1.0682749265372011
Energy: 1.2517041779573577
Energy: 1.0682749265372011
Energy: 1.2512015754217947
Energy: 1.0311144532743028
Energy: 1.1849728789870955
Energy: 1.0311144532737253
Energy: 1.2309259210192598
Energy: 1.0239613221236166
Energy: 1.1899319729051852
Energy: 1.023961322124194
Energy: 1.1952376177572952
Energy: 1.0552159370784981
Energy: 1.2428545222093517
Energy: 1.0552159370782983
Energy: 1.197867394120574
Energy: 1.061969268806781
Energy: 1.3070730676555276
Energy: 1.0619692688065812
Energy: 1.2514836730785488
Energy: 1.0301416609604312
Energy: 1.1851594107189387
Energy: 1.030141660959854
Energy: 1.179674860741599
Energy: 1.0280950405535023
Energy: 1.188990142878976
Energy: 1.0280950405531029
Energy: 1.1202333789209415
Energy: 1.0354730979731235
Energy: 1.2428704191592561
Energy: 1.0354730979735234
Energy: 1.123269711474478
Energy: 1.0712696207520513
Energy: 1.244128321648412
Energy: 1.0712696207524512

minimum gb energy = 1.0239613221236166 eV
minimum distance =  2.29606821452653 Angstroms
sigma value = 25


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

Energy: 1.169674968673836
Energy: 0.9593010132608875
Energy: 1.3669656428586163
Energy: 0.9593010132608875
Energy: 1.1327169816890819
Energy: 1.2399438029686323
Energy: 1.1259049589109629
Energy: 1.2399438029686323
Energy: 1.1176796233801574
Energy: 0.942115041826664
Energy: 1.1405791249257433
Energy: 0.942115041826664
Energy: 1.0753444950241118
Energy: 1.1315830713130945
Energy: 1.121379268401234
Energy: 1.1315830713130945
Energy: 1.2925920102181172
Energy: 0.9362100706346939
Energy: 1.1265006050962891
Energy: 0.9362100706346939
Energy: 1.0859178584814013
Energy: 1.0827463581485395
Energy: 1.1243681790553555
Energy: 1.0827463584810997
Energy: 1.0700450746428773
Energy: 0.936188955124874
Energy: 1.0832041262291445
Energy: 0.936188955124874
Energy: 1.0912037229952969
Energy: 0.9541620679669807
Energy: 1.1124704478387146
Energy: 0.9541620679654543
Energy: 1.174297271876034
Energy: 0.9340955208529466
Energy: 1.068623878772669
Energy: 0.9340955208529466
Energy: 1.1062491262380414
Energy: 1.0053778584307551
Energy: 1.0936876600345675
Energy: 1.0053778584307551
Energy: 1.0398946027355769
Energy: 0.9371257362555612
Energy: 1.1917177155100966
Energy: 0.9371257362555612
Energy: 1.085936754471713
Energy: 0.9545400562989858
Energy: 1.1083362825339322
Energy: 0.9545400562989858
Energy: 1.0628542619522332
Energy: 0.9354156950601076
Energy: 1.0594497104926053
Energy: 0.9354156950616339
Energy: 1.150286562491454
Energy: 0.9636699111113597
Energy: 1.0541324858982666
Energy: 0.9636699111113597
Energy: 1.0624712366963605
Energy: 0.9352649899506008
Energy: 1.131314696292913
Energy: 0.9352649899506008
Energy: 1.0944119982487874
Energy: 0.9358336289398139
Energy: 1.114483536300494
Energy: 0.9358336289245508
Energy: 1.114815833447109
Energy: 0.9425148219361031
Energy: 1.0998369106712262
Energy: 0.9425148219361031
Energy: 1.134821816245651
Energy: 1.0602581063728533
Energy: 1.0854856183420116
Energy: 1.0602581064079237
Energy: 1.1307253304396767
Energy: 0.9568658019672396
Energy: 1.109325876215866
Energy: 0.9568658019687658
Energy: 1.1502018250821124
Energy: 1.0721611901950756
Energy: 1.1186509085638054
Energy: 1.0721611903522152
Energy: 1.1146006212924167
Energy: 0.9409127126117645
Energy: 1.0993714402142791
Energy: 0.9409127126117645
Energy: 1.1449870351398763
Energy: 0.9521693933569763
Energy: 1.089215901536331
Energy: 0.9521693933554501
Energy: 1.0622216396967912
Energy: 0.9358847086670876
Energy: 1.1086064799896713
Energy: 0.9358847086670876
Energy: 1.09851513610344
Energy: 0.9476262864030452
Energy: 1.0961678403762112
Energy: 0.9476262864030452
Energy: 1.0509329312488023
Energy: 0.93594580802078
Energy: 1.061031551854865
Energy: 0.93594580802078
Energy: 1.1396956084413958
Energy: 0.953108858148664
Energy: 1.0542189933314867
Energy: 0.953108858148664

minimum gb energy = 0.9340955208529466 eV
minimum distance =  2.30575109734743 Angstroms
sigma value = 41


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

Energy: 1.1159948091695004
Energy: 0.8885604535299865
Energy: 1.2185977445456126
Energy: 0.8885604535287351
Energy: 1.0312280463746988
Energy: 0.9974788036606735
Energy: 1.0078437220263339
Energy: 0.9974789122792066
Energy: 1.014453706601751
Energy: 0.8689299549000414
Energy: 1.0757497168958565
Energy: 0.8689299549000414
Energy: 1.0307363069260613
Energy: 0.9478248529380425
Energy: 1.0420168762829536
Energy: 0.9478248368082324
Energy: 1.0576558505569533
Energy: 0.8602287839505998
Energy: 1.0166027367552637
Energy: 0.8602287839505998
Energy: 1.019525459758087
Energy: 0.896891954148467
Energy: 0.991747626713607
Energy: 0.8968919541459643
Energy: 1.0201489296358273
Energy: 0.8571982882227933
Energy: 1.3830011560491884
Energy: 0.8571982882227933
Energy: 1.025300242498964
Energy: 0.888163472690439
Energy: 1.0019221841163826
Energy: 0.8881634730293753
Energy: 1.346449058525393
Energy: 0.8552658189211345
Energy: 1.0430261469884572
Energy: 0.8552658189223857
Energy: 1.0150981364096412
Energy: 1.3038880699210955
Energy: 1.0578926192342415
Energy: 1.3038880699198443
Energy: 1.0034069196874766
Energy: 0.856811321968606
Energy: 1.1857047301031205
Energy: 0.856811321968606
Energy: 1.0093834828088661
Energy: 0.9019179727074705
Energy: 1.0128496816293615
Energy: 0.9019179727087218
Energy: 1.1980630236749503
Energy: 0.8557521213394762
Energy: 0.9864130833237418
Energy: 0.8557521213394762
Energy: 1.018038057574375
Energy: 0.8813946449333927
Energy: 0.9978483827203287
Energy: 0.8813946449333927
Energy: 0.999897566572089
Energy: 0.8567700599158622
Energy: 1.0790181879796956
Energy: 0.8567700599146109
Energy: 0.9951158270312077
Energy: 0.8831802509556493
Energy: 1.0330986265886855
Energy: 0.8831802509556493
Energy: 1.1063328520586542
Energy: 0.8561898103980288
Energy: 0.9995736973676569
Energy: 0.8561898104005315
Energy: 1.0204552683812562
Energy: 0.8687936591966918
Energy: 1.0174064761281107
Energy: 0.8687936591966918
Energy: 1.0299517130783318
Energy: 0.8609012650355474
Energy: 1.0091169889879659
Energy: 0.8609012650342961
Energy: 1.0256339680549569
Energy: 0.966165503570622
Energy: 1.0534058574810163
Energy: 0.9661686636417562
Energy: 1.0123756855573063
Energy: 0.8680486313686495
Energy: 1.0594476519307612
Energy: 0.8680486313686495
Energy: 1.0331711006268254
Energy: 0.9842960471256238
Energy: 1.0547635856097093
Energy: 0.9842960471018487
Energy: 1.0938059635564652
Energy: 0.8882639683892514
Energy: 1.008812704877803
Energy: 0.8882639683892514
Energy: 1.0211625317886712
Energy: 0.9805963779469745
Energy: 1.0362542481171015
Energy: 0.9805963779757547
Energy: 1.0184351007273769
Energy: 0.8763145079938548
Energy: 1.0581907084125566
Energy: 0.8763145079938548
Energy: 1.00513806251388
Energy: 0.8862143460770621
Energy: 1.0587087566567834
Energy: 0.8862143460745595
Energy: 1.026562090569943
Energy: 0.8618031730081368
Energy: 1.0088847992233636
Energy: 0.8618031730068855
Energy: 1.0148539937051546
Energy: 0.8740784793577697
Energy: 1.022185928247233
Energy: 0.8740784793615237
Energy: 1.0185193250470812
Energy: 0.8585140926573236
Energy: 0.9997328251530777
Energy: 0.8585140926573236
Energy: 1.0175070451583326
Energy: 0.8554297437397939
Energy: 1.0081091065457648
Energy: 0.8554297437322859
Energy: 0.9995855794683558
Energy: 0.8568965760872754
Energy: 0.9844312196644538
Energy: 0.8568965760872754
Energy: 0.9990330584089252
Energy: 0.8795598437799208
Energy: 1.0390127596823422
Energy: 0.8795598437811721

minimum gb energy = 0.8552658189211345 eV
minimum distance =  2.30672201915757 Angstroms
sigma value = 15


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

Energy: 1.048028133302762
Energy: 1.0057439986274488
Energy: 1.1093494829996262
Energy: 1.0057439986210885
Energy: 0.9485743056740993
Energy: 0.9616001483290159
Energy: 0.9482549350471088
Energy: 0.9616001488058415
Energy: 0.9355109804777437
Energy: 0.81537688375391
Energy: 0.9729675928023152
Energy: 0.81537688375391
Energy: 0.9344122520862408
Energy: 0.8364428549786738
Energy: 0.9484544737663055
Energy: 0.8364428549786738
Energy: 1.5264585322916802
Energy: 0.8031824800984235
Energy: 0.9355437385504356
Energy: 0.8031824800973635
Energy: 0.9578629843581574
Energy: 0.8791686419490807
Energy: 0.9354901839530639
Energy: 0.8791686204906252
Energy: 0.940644067617247
Energy: 0.793834284549085
Energy: 0.9740110953341934
Energy: 0.7938342845469648
Energy: 0.9255438027229468
Energy: 0.8243145808760075
Energy: 0.9607927324139638
Energy: 0.8243145808728274
Energy: 1.3792097988078404
Energy: 0.7934091173253572
Energy: 0.952939474230648
Energy: 0.7934091173242972
Energy: 0.9408567737082557
Energy: 0.8123338243446875
Energy: 0.9365039901018661
Energy: 0.8123338243436274
Energy: 0.9318035742784215
Energy: 0.7928832806002388
Energy: 0.9337899664381999
Energy: 0.7928832806012989
Energy: 0.9349582494053358
Energy: 0.8426523605216822
Energy: 0.9477024120567709
Energy: 0.8426557564866549
Energy: 1.2313266850662705
Energy: 0.7928178197357936
Energy: 1.0065478296026464
Energy: 0.7928178197357936
Energy: 0.9458215208389377
Energy: 0.8413996925874367
Energy: 0.9381861022540678
Energy: 0.8413996925884968
Energy: 0.9376760769827983
Energy: 0.7929672566438656
Energy: 0.9241904956925587
Energy: 0.7929672566428054
Energy: 0.9405657355409878
Energy: 0.830190103544286
Energy: 0.9471480020994041
Energy: 0.8301901035464061
Energy: 1.1222985131424734
Energy: 0.7927616852456176
Energy: 0.9307119634777508
Energy: 0.7927616852456176
Energy: 0.9703398784523818
Energy: 0.7994550180470396
Energy: 0.9219231557709302
Energy: 0.7994550180459794
Energy: 0.948195647576839
Energy: 0.7928563076771796
Energy: 0.9847379320363092
Energy: 0.7928563076782397
Energy: 0.9678150943250863
Energy: 0.8087288953520241
Energy: 0.9314175403679407
Energy: 0.8087288953530841
Energy: 0.9447970647290431
Energy: 0.7961428226422764
Energy: 0.9279070651341492
Energy: 0.7961428226433366
Energy: 0.9467635159719793
Energy: 0.8741759439865885
Energy: 0.9737084693371385
Energy: 0.8741759439855284
Energy: 0.9922723439256568
Energy: 0.8042124148527245
Energy: 0.9307371554958322
Energy: 0.8042124148516645
Energy: 0.9369501214525633
Energy: 0.9047914188273363
Energy: 0.9453294370088883
Energy: 0.9047914324523304
Energy: 0.9335664607749192
Energy: 0.81625843756683
Energy: 0.9560345008828605
Energy: 0.81625843756683
Energy: 0.9700786046305898
Energy: 0.9339195338313726
Energy: 0.9495298819713479
Energy: 0.9339195342000742
Energy: 1.0458865051734958
Energy: 0.8252760632642514
Energy: 0.9312358833285702
Energy: 0.8252760632621314
Energy: 1.1089713406240016
Energy: 0.8930833703826075
Energy: 0.9455645691821242
Energy: 0.8930833690888759
Energy: 0.9398510031774249
Energy: 0.8168738098931416
Energy: 0.9677909620266256
Energy: 0.8168738098899615
Energy: 0.969569694246166
Energy: 0.9159102997124668
Energy: 0.9455274161362701
Energy: 0.915910299716707
Energy: 1.1865943416736926
Energy: 0.8061691086487405
Energy: 0.9305419229939741
Energy: 0.8061691086466203
Energy: 0.9377403902088935
Energy: 0.8246918385005729
Energy: 0.9318764158612818
Energy: 0.8246918384984527
Energy: 0.9395355978120382
Energy: 0.7951199824194982
Energy: 0.9288563225274853
Energy: 0.7951199824205583
Energy: 0.9433240338355263
Energy: 0.8046149940625275
Energy: 0.9471990754637087
Energy: 0.8046149940604075
Energy: 0.9452223470075823
Energy: 0.7927556751566635
Energy: 0.9499000148250386
Energy: 0.7927556751566635
Energy: 0.9527829257734467
Energy: 0.8078022663036982
Energy: 0.9379207643930771
Energy: 0.8078022663026383
Energy: 0.927911295548303
Energy: 0.7950261385684343
Energy: 0.9304247330415345
Energy: 0.7950261385684343

minimum gb energy = 0.7927556751566635 eV
minimum distance =  2.31845880821428 Angstroms
sigma value = 85


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

Energy: 0.9817331058232852
Energy: 0.7699540913991137
Energy: 0.992046618236991
Energy: 0.7699540914000333
Energy: 0.8549428949595619
Energy: 0.9264805420768024
Energy: 0.8603589127664435
Energy: 0.9264904580558754
Energy: 0.8469804030631081
Energy: 0.767712275646124
Energy: 0.994742855118517
Energy: 0.767712275646124
Energy: 0.8462959353602375
Energy: 0.7767809299212459
Energy: 0.8613614602355933
Energy: 0.7767809371930241
Energy: 0.9287721071392016
Energy: 0.734939080946337
Energy: 0.848065014219161
Energy: 0.734939080946337
Energy: 0.8469848382361124
Energy: 0.7827122892957621
Energy: 0.851977073149947
Energy: 0.782712289297601
Energy: 0.8618052796464607
Energy: 0.7362052963953352
Energy: 0.9375020674408169
Energy: 0.7362052963953352
Energy: 0.8538711062750743
Energy: 0.7929261339815447
Energy: 0.8521380039451707
Energy: 0.7929261339815447
Energy: 0.8890824372809731
Energy: 0.7178597577877336
Energy: 0.8757751502724415
Energy: 0.7178597577877336
Energy: 0.8765781118458565
Energy: 0.849650396191433
Energy: 0.8570730675982482
Energy: 0.8496503961905136
Energy: 0.8403805667926381
Energy: 0.7177757746945987
Energy: 0.8976798123733255
Energy: 0.7177757746945987
Energy: 0.8728374595428302
Energy: 0.7302609687777601
Energy: 0.8566360428048297
Energy: 0.7302609687786796
Energy: 0.8667299354861506
Energy: 0.718787534305883
Energy: 0.8613696539062081
Energy: 0.718787534305883
Energy: 0.8851713574205399
Energy: 0.7601177481852606
Energy: 0.8717053537979415
Energy: 0.7601177481852606
Energy: 0.8397289341341687
Energy: 0.7185408320973112
Energy: 1.0326084856164321
Energy: 0.7185408320982305
Energy: 0.8672763135201267
Energy: 0.7578529554836774
Energy: 0.884240241589889
Energy: 0.757852955482758
Energy: 0.8444278452243453
Energy: 0.7187852160825717
Energy: 0.8619864654695922
Energy: 0.7187852160834913
Energy: 0.8836456609466884
Energy: 0.758260372719485
Energy: 0.8917438321048832
Energy: 0.758260372719485
Energy: 0.8464810728015977
Energy: 0.7185587532736972
Energy: 0.8660032534163009
Energy: 0.7185587532736972
Energy: 0.8554465820656384
Energy: 0.7293455872049721
Energy: 0.8843578560026636
Energy: 0.7293455872049721
Energy: 0.9413094760298032
Energy: 0.718996997469452
Energy: 0.8740345532850664
Energy: 0.718996997469452
Energy: 0.8541693320579
Energy: 0.7306501516173518
Energy: 0.8568534606758125
Energy: 0.7306501515842752
Energy: 0.8624090907602117
Energy: 0.7188810435678389
Energy: 0.8775671755403576
Energy: 0.7188810435678389
Energy: 0.854468976364109
Energy: 0.8055167949666956
Energy: 0.8481239802853631
Energy: 0.8055167949676149
Energy: 0.908738447638003
Energy: 0.7378246797583016
Energy: 0.9002046359859636
Energy: 0.7378246797573823
Energy: 0.8468520113780073
Energy: 0.7839741761723438
Energy: 0.8519894042904931
Energy: 0.7839741761034326
Energy: 0.8899856983599271
Energy: 0.7349774741010399
Energy: 0.8487675486246468
Energy: 0.7349774741019592
Energy: 0.8649633216304191
Energy: 0.7858464326259504
Energy: 0.8397629507667688
Energy: 0.7858464330284488
Energy: 0.8460040534424982
Energy: 0.7675110155316549
Energy: 0.9545458376579169
Energy: 0.7675110155334935
Energy: 0.8595189343233076
Energy: 0.7894349535179647
Energy: 1.05163893665063
Energy: 0.7894349536548888
Energy: 0.966843431676789
Energy: 0.7696273803031833
Energy: 0.8489615994252622
Energy: 0.7696273802673487
Energy: 0.9711647938951785
Energy: 0.8092786947318967
Energy: 0.8395492185817117
Energy: 0.8092786941832805
Energy: 0.846049927556816
Energy: 0.7685543268849291
Energy: 0.9417718036571375
Energy: 0.7685543269832603
Energy: 0.8451000411259121
Energy: 0.7805050099978126
Energy: 1.1239747746016755
Energy: 0.7805050099583003
Energy: 0.8998279540469407
Energy: 0.7350745243731981
Energy: 0.8486496568813833
Energy: 0.7350745243731981
Energy: 0.864905445529372
Energy: 0.7151888927771245
Energy: 0.8482284470176074
Energy: 0.7151888927752857
Energy: 0.8622779207083525
Energy: 0.7380052596179122
Energy: 0.8958283789796225
Energy: 0.7380052596179122
Energy: 0.8546395530629793
Energy: 0.7144861756357828
Energy: 0.8524875774312656
Energy: 0.7144861756348635
Energy: 0.8614740249302891
Energy: 0.7207099439265789
Energy: 0.8770745834359733
Energy: 0.7207099439265789
Energy: 0.8705095903264948
Energy: 0.713651161045207
Energy: 0.8704360419350701
Energy: 0.713651161045207
Energy: 0.845625181698448
Energy: 0.7189635586385271
Energy: 0.8739612385753445
Energy: 0.7189635586385271
Energy: 0.8950857840597202
Energy: 0.7310043770383253
Energy: 0.8568176311435832
Energy: 0.7310043770392448
Energy: 0.8464158018793628
Energy: 0.7159761969032261
Energy: 0.863091264887409
Energy: 0.7159761969032261

minimum gb energy = 0.713651161045207 eV
minimum distance =  2.32224501886405 Angstroms
sigma value = 113


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

Energy: 0.014951354440554133
Energy: 0.015238580816605356
Energy: 1.536511806494634
Energy: 0.015238580816605356
Energy: 0.015394783511401576
Energy: 0.6921850907859834
Energy: 0.015394783512108344
Energy: 0.6921850907859834
Energy: 1.536511806494634
Energy: 0.015238580815898586
Energy: 0.014951354440554133
Energy: 0.015238580815898586
Energy: 0.015394783512108344
Energy: 0.6921850907859834
Energy: 0.015394783511401576
Energy: 0.6921850907859834
Energy: 0.014951354439847365
Energy: 0.015238580815898586
Energy: 1.536511806494634
Energy: 0.015238580816605356
Energy: 0.015394783512108344
Energy: 0.6921850907859834
Energy: 0.015394783512815114
Energy: 0.6921850907859834

minimum gb energy = 0.014951354439847365 eV
minimum distance =  2.4589752212299 Angstroms
sigma value = 1