Model name: model_name=MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098557710648
cohesive_energy=4.242432871320217
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: 0.016433622506388544
Energy: 0.017120531923109448
Energy: 0.09256859659344793
Energy: 0.017120531923109448
Energy: 0.017120531923109448
Energy: 1.2139707415375454
Energy: 0.017120531923109448
Energy: 1.2139707415375454
Energy: 0.09256859659344793
Energy: 0.017120531923109448
Energy: 0.016433622506388544
Energy: 0.017120531923109448
Energy: 0.017120531923109448
Energy: 1.2139707415375454
Energy: 0.017120531923109448
Energy: 1.2139707415375454

minimum gb energy = 0.016433622506388544 eV
minimum distance =  2.48817324259918 Angstroms
sigma value = 1


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

Energy: 0.9934779988976553
Energy: 1.0980983898220957
Energy: 0.8832636354813952
Energy: 1.098098389822858
Energy: 0.9565054827867999
Energy: 1.0882650164660599
Energy: 0.9578639176360568
Energy: 1.0882650164645353
Energy: 0.8674519562394511
Energy: 1.085635493305449
Energy: 0.9478829675409296
Energy: 1.085635493305449
Energy: 0.9380274167652652
Energy: 1.1076195888783535
Energy: 0.9497394423242467
Energy: 1.1076195888775915
Energy: 0.9423922954846683
Energy: 1.1012074991110468
Energy: 0.9410836480454797
Energy: 1.1012074991110468
Energy: 0.8958361774477613
Energy: 1.2928259202051207
Energy: 0.9274716551676521
Energy: 1.2928259202058832
Energy: 0.9601163591738561
Energy: 1.0868995376713744
Energy: 0.8970201441939835
Energy: 1.0868995376713744
Energy: 0.8175033690620763
Energy: 1.099786561616509
Energy: 0.917140426616048
Energy: 1.0997865616157465
Energy: 0.9481273801443516
Energy: 0.9538193125548393
Energy: 0.9429736749318242
Energy: 0.953819312556364
Energy: 0.9299457218567837
Energy: 1.0859557519005143
Energy: 0.8024285301219145
Energy: 1.085955751899752
Energy: 0.9403095413803214
Energy: 1.045471452375867
Energy: 0.9480949749091366
Energy: 1.045471452375867
Energy: 0.9006010609698658
Energy: 1.0996115669671216
Energy: 0.9479706853487299
Energy: 1.0996115669671216
Energy: 0.956562123326292
Energy: 1.088438328041823
Energy: 0.9600991989291362
Energy: 1.0884383280425853
Energy: 0.9588543323354972
Energy: 1.0929724708483053
Energy: 0.9434725387878461
Energy: 1.0929724708490678
Energy: 0.9403019668995832
Energy: 1.1026213477511069
Energy: 0.9496693429558708
Energy: 1.1026213477511069
Energy: 0.9414817103173599
Energy: 1.0981058317122685
Energy: 0.9488544196981639
Energy: 1.0981058317115062
Energy: 0.9480693913233714
Energy: 1.0856157388239722
Energy: 0.8662939523329043
Energy: 1.0856157388224472
Energy: 0.958509019647604
Energy: 1.0853820163654018
Energy: 0.9578318596781592
Energy: 1.085382016366164
Energy: 0.7960711174026637
Energy: 1.0993842529082443
Energy: 0.954270390100792
Energy: 1.099384252907482
Energy: 0.9623918665819845
Energy: 0.9534324288642694
Energy: 0.9494267226626772
Energy: 0.9534324288596955
Energy: 0.9283026738573565
Energy: 1.0854625000257843
Energy: 0.8371829455728675
Energy: 1.0854625000242595
Energy: 0.9486132424314481
Energy: 1.3036802903321003
Energy: 0.9409978535886022
Energy: 1.303680290331338
Energy: 0.9401338253521759
Energy: 1.1011718488877056
Energy: 0.8803595656167778
Energy: 1.1011718488877056
Energy: 0.9356586613013654
Energy: 1.088213484768346
Energy: 0.8958036133166527
Energy: 1.0882134847691083
Energy: 0.8968999283625835
Energy: 1.2968373464809864
Energy: 0.9596479758510827
Energy: 1.2968373464809864
Energy: 0.9439616469188108
Energy: 1.099596851420706
Energy: 0.8811425492778469
Energy: 1.099596851421468
Energy: 0.9408596429577138
Energy: 1.0893802469155618
Energy: 0.948472970856641
Energy: 1.089380246916324
Energy: 0.8706985225577097
Energy: 1.0846698611436487
Energy: 0.9485922447590918
Energy: 1.0846698611436487
Energy: 0.9555539477504948
Energy: 1.094997407730494
Energy: 0.9405039940208408
Energy: 1.094997407730494
Energy: 0.96338607237433
Energy: 1.0989798617231497
Energy: 0.9009349840556372
Energy: 1.0989798617239122
Energy: 0.9608764375922786
Energy: 1.091558205211673
Energy: 0.9567393523098089
Energy: 1.091558205211673
Energy: 0.942356828170314
Energy: 1.0870968405837123
Energy: 0.9506795496645448
Energy: 1.0870968405837123
Energy: 0.9415117981004003
Energy: 1.1065950617920448
Energy: 0.9516027910620476
Energy: 1.1065950617920448

minimum gb energy = 0.7960711174026637 eV
minimum distance =  2.27866103683611 Angstroms
sigma value = 1


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

Energy: 1.0651774992314924
Energy: 1.184521227572927
Energy: 0.9420578873605802
Energy: 1.184521227572058
Energy: 1.010282315102511
Energy: 1.1218126957037997
Energy: 1.0119128379107694
Energy: 1.1218126956994539
Energy: 0.92865452048176
Energy: 1.1841202213386757
Energy: 1.006158309296522
Energy: 1.1841202213378066
Energy: 1.004602149288669
Energy: 1.106161450080063
Energy: 0.9456775174533474
Energy: 1.1061614500818013
Energy: 1.0046140215659316
Energy: 1.1669170568468568
Energy: 0.9940810091982691
Energy: 1.166917056852072
Energy: 0.9899514263480916
Energy: 1.1661093841201093
Energy: 0.9878873226191043
Energy: 1.1661093841209786
Energy: 1.0099123253533535
Energy: 1.1057761522988492
Energy: 0.9810664257043992
Energy: 1.1057761523014566
Energy: 0.854348136897108
Energy: 1.1838373356817031
Energy: 0.9881275086609725
Energy: 1.1838373356817031
Energy: 1.0051430395582885
Energy: 1.0261251940342138
Energy: 1.0156776784877892
Energy: 1.0261251940342138
Energy: 1.0119827059066242
Energy: 1.183987220618987
Energy: 0.8692174099772105
Energy: 1.183987220619856
Energy: 1.0096729912099218
Energy: 1.106366017113871
Energy: 1.012959174889122
Energy: 1.1063660171121323
Energy: 0.9310368520427706
Energy: 1.1723899571520418
Energy: 1.0051158262877498
Energy: 1.1723899571520418
Energy: 1.0233636833997097
Energy: 1.1624267362154683
Energy: 0.9954549863962092
Energy: 1.1624267362163374
Energy: 1.0233028564177726
Energy: 1.1624171854643992
Energy: 1.0030959027536666
Energy: 1.1624171854643992
Energy: 0.9309986576125354
Energy: 1.1726023152538863
Energy: 1.005527483958084
Energy: 1.1726023152547553
Energy: 1.009683216808456
Energy: 1.1060153830078627
Energy: 1.016575578358451
Energy: 1.1060153830087318
Energy: 1.0076326607916983
Energy: 1.1837668159891905
Energy: 0.8457812216387562
Energy: 1.1837668159883215
Energy: 1.0051838063802974
Energy: 1.0272733403768473
Energy: 1.0157288880880713
Energy: 1.0272733403777166
Energy: 0.8544593210274982
Energy: 1.184206052252587
Energy: 0.9881282824303419
Energy: 1.1842060522534563
Energy: 1.0096291743175634
Energy: 1.1052159345150856
Energy: 0.9455524188043138
Energy: 1.105215934517693
Energy: 0.9896361492387729
Energy: 1.1620964649508694
Energy: 0.9990420377661783
Energy: 1.1620964649482617
Energy: 1.0046704504819968
Energy: 1.1666235768909898
Energy: 0.9952324175730578
Energy: 1.1666235768935973
Energy: 1.0045079179507794
Energy: 1.1069910424352472
Energy: 1.0169878832441797
Energy: 1.1069910424343778
Energy: 0.9286151280344982
Energy: 1.1838430176432913
Energy: 1.0065946356375426
Energy: 1.1838430176450296
Energy: 1.0100985440942591
Energy: 1.1221251684598703
Energy: 1.012147635294654
Energy: 1.1221251684581321
Energy: 1.0651774992306233
Energy: 1.1845212275737964
Energy: 0.9223596366466373
Energy: 1.184521227572927
Energy: 1.010282315102511
Energy: 1.121812695700323
Energy: 1.0119128379116384
Energy: 1.1218126956994539
Energy: 0.92865452048176
Energy: 1.1841202213386757
Energy: 1.006158309296522
Energy: 1.1841202213378066
Energy: 1.004602149288669
Energy: 1.1061614500809323
Energy: 0.9456775174550858
Energy: 1.1061614500783248

minimum gb energy = 0.8457812216387562 eV
minimum distance =  2.27531347349425 Angstroms
sigma value = 25


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

Energy: 1.1409186487833398
Energy: 1.2591991972655239
Energy: 1.0069366450820911
Energy: 1.259199197263503
Energy: 1.1018405622620115
Energy: 1.2198959656671111
Energy: 1.0895305760412415
Energy: 1.2198959656671111
Energy: 1.0016441971824412
Energy: 1.290232281464692
Energy: 1.0938045132501846
Energy: 1.2902322814657023
Energy: 1.073995529720346
Energy: 1.2454282936678294
Energy: 1.0243365132068887
Energy: 1.2454282936678294
Energy: 1.0240356027931155
Energy: 1.2581549197447572
Energy: 1.0784636212061518
Energy: 1.2581549197447572
Energy: 1.0805835231405587
Energy: 1.2911921672656683
Energy: 1.0997894313735255
Energy: 1.2911921672656683
Energy: 1.1028657224024527
Energy: 1.099173211229196
Energy: 1.0582841065415542
Energy: 1.099173211229196
Energy: 1.021681193192357
Energy: 1.2633327956429459
Energy: 0.9485840328641404
Energy: 1.2633327956439562
Energy: 1.058508375840685
Energy: 1.1873339377276724
Energy: 1.102694282495879
Energy: 1.1873339377276724
Energy: 1.1005206837331243
Energy: 1.2915473604589929
Energy: 1.0072664182976896
Energy: 1.2915473604589929
Energy: 1.07826873575764
Energy: 1.2579621117330202
Energy: 1.0906383463955223
Energy: 1.2579621117330202
Energy: 1.0302620437867132
Energy: 1.260494775979478
Energy: 1.0892935021463908
Energy: 1.260494775979478
Energy: 1.0939183912633323
Energy: 1.213356465104128
Energy: 1.0078314130852921
Energy: 1.2133564651021074
Energy: 1.0558843762116557
Energy: 1.101620803995907
Energy: 1.102453186330379
Energy: 1.101620803995907
Energy: 0.9472753197681156
Energy: 1.258813463080518
Energy: 0.9461866824160466
Energy: 1.258813463080518
Energy: 1.0984458093348581
Energy: 1.0990751018370737
Energy: 1.0259152323274152
Energy: 1.0990751018370737
Energy: 0.9166610824328365
Energy: 1.2903607813653208
Energy: 0.9166480372568577
Energy: 1.2903607813653208
Energy: 1.0242297244616096
Energy: 1.2593046513944757
Energy: 1.076468313879615
Energy: 1.2593046513944757
Energy: 1.0746949872217817
Energy: 1.2436632262615168
Energy: 1.02313878506707
Energy: 1.2436632262625273
Energy: 1.099108652599964
Energy: 1.290734425377173
Energy: 1.0941210795084397
Energy: 1.290734425377173
Energy: 1.1070950822622827
Energy: 1.2236952226352988
Energy: 1.0922476024295142
Energy: 1.2236952226352988
Energy: 1.1368367823911052
Energy: 1.2604395423601917
Energy: 1.0497502322965937
Energy: 1.2604395423601917
Energy: 1.098663109363876
Energy: 1.1992179610143217
Energy: 1.0899971894317813
Energy: 1.199217961013311
Energy: 1.0002154251794588
Energy: 1.2948347912818738
Energy: 1.0991121865768338
Energy: 1.2948347912818738
Energy: 1.090680650660406
Energy: 1.1167901216973646
Energy: 1.024297217540641
Energy: 1.1167901216983747

minimum gb energy = 0.9166480372568577 eV
minimum distance =  2.27754379224917 Angstroms
sigma value = 9


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

Energy: 1.285960084038574
Energy: 1.3088767307054796
Energy: 1.0858350455903354
Energy: 1.3088767307042741
Energy: 1.1522025456462852
Energy: 1.3042828879787252
Energy: 1.1919208063278228
Energy: 1.3042828879775197
Energy: 1.0848458971779578
Energy: 1.312476358853457
Energy: 1.1910231910100249
Energy: 1.3124763588522517
Energy: 1.2166467547830973
Energy: 1.3728736786807996
Energy: 1.037409749244143
Energy: 1.3728736786807996
Energy: 1.1895026917736111
Energy: 1.3009988461361794
Energy: 1.1522332430026145
Energy: 1.3009988461361794
Energy: 0.9871908431694474
Energy: 1.2156330515871163
Energy: 1.129162380916345
Energy: 1.215633051582295
Energy: 1.2226779399623018
Energy: 1.0377338520520552
Energy: 1.0416391300862868
Energy: 1.0377338520508497
Energy: 1.0684528745563566
Energy: 1.2152617898499014
Energy: 1.0330884147109787
Energy: 1.2152617898559284
Energy: 1.2171727756212782
Energy: 1.304375988100999
Energy: 1.193250349995633
Energy: 1.304375988100999
Energy: 1.2203727684511634
Energy: 1.2174028552545246
Energy: 1.1282251423731557
Energy: 1.217402855259346
Energy: 1.1035146433361058
Energy: 1.3358856422211467
Energy: 1.1903656693194855
Energy: 1.3358856422199414
Energy: 1.2189964043072614
Energy: 1.3261972271535853
Energy: 1.0372381919988263
Energy: 1.3261972271523803
Energy: 0.9880197699821003
Energy: 1.2302336101098907
Energy: 1.0281833657622585
Energy: 1.2302336101110958
Energy: 1.10870023661416
Energy: 1.2165550620234604
Energy: 1.1938530803566976
Energy: 1.2165550620234604
Energy: 0.988013043804433
Energy: 1.2312555410111172
Energy: 1.0020439885627406
Energy: 1.2312555410147332
Energy: 1.2182501349564734
Energy: 1.2365691033636166
Energy: 1.0376342551297237
Energy: 1.236569106888874
Energy: 1.1037184832219327
Energy: 1.3359238946352245
Energy: 1.1087246298003304
Energy: 1.3359238946352245
Energy: 1.220667096089047
Energy: 1.2724196990288308
Energy: 1.1286671146444598
Energy: 1.272419699025215
Energy: 1.217125619270248
Energy: 1.3043685952830737
Energy: 1.1233232721397304
Energy: 1.3043685952842792
Energy: 1.0684441863754903
Energy: 1.2150379967292442
Energy: 1.0330408908276592
Energy: 1.2150379937220628
Energy: 1.2226959647573339
Energy: 1.0375183312432952
Energy: 1.042191319496959
Energy: 1.0375183312432952

minimum gb energy = 0.9871908431694474 eV
minimum distance =  2.32921397745988 Angstroms
sigma value = 25


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

Energy: 1.122899234594212
Energy: 1.4413330494690153
Energy: 1.2335651126920069
Energy: 1.4413330494705061
Energy: 1.0972469639532632
Energy: 1.4554277590940894
Energy: 1.0736260322015714
Energy: 1.4554277590940894
Energy: 1.0756495769150933
Energy: 1.475643020723467
Energy: 1.073676762337086
Energy: 1.475643020723467
Energy: 1.1191318963329802
Energy: 1.44203706575559
Energy: 1.1596228952616754
Energy: 1.44203706575559
Energy: 1.1622101338816664
Energy: 1.0946440646377769
Energy: 1.074771251635291
Energy: 1.0946440646377769
Energy: 1.0758187630232916
Energy: 1.474942365034943
Energy: 1.0795849211863382
Energy: 1.474942365034943
Energy: 1.0745810839500904
Energy: 1.2793851747711291
Energy: 1.0747865724204975
Energy: 1.2793851747696383
Energy: 1.1595659047129463
Energy: 1.4392699064630707
Energy: 1.117522742357729
Energy: 1.4392699064630707
Energy: 1.0735924700145016
Energy: 1.2887398687230136
Energy: 1.098827977067867
Energy: 1.2887398687245044
Energy: 1.2206849521091874
Energy: 1.3142378710391909
Energy: 1.0792564934571205
Energy: 1.3142378710362097
Energy: 1.0574882045630951
Energy: 1.441325903982509
Energy: 1.234024037596582
Energy: 1.441325903982509
Energy: 1.073497608906348
Energy: 1.1315384847226146
Energy: 1.226246931506694
Energy: 1.1315384847226146
Energy: 1.1833550727187252
Energy: 1.4754846121205976
Energy: 1.0750097775513825
Energy: 1.4754846121205976
Energy: 1.0741768775636922
Energy: 1.441016124407132
Energy: 1.1183308971403663
Energy: 1.441016124407132
Energy: 1.0734725532819802
Energy: 1.441001927691244
Energy: 1.1631761739740412
Energy: 1.441001927691244
Energy: 1.0948115011773907
Energy: 1.476391755547276
Energy: 1.0796108204359365
Energy: 1.476391755547276
Energy: 1.074331747390216
Energy: 1.1760969198957976
Energy: 1.2254126097383644
Energy: 1.1760969198972882

minimum gb energy = 1.0574882045630951 eV
minimum distance =  2.32319605205805 Angstroms
sigma value = 17


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

Energy: 1.3041674284103115
Energy: 1.3007418440576144
Energy: 1.299821545698224
Energy: 1.3007418440584586
Energy: 1.266102165001851
Energy: 1.2949155956824459
Energy: 1.1195619389599896
Energy: 1.2949155956410792
Energy: 1.1932456157182199
Energy: 1.2783074783606339
Energy: 1.1192569985530774
Energy: 1.2783074783623223
Energy: 1.1225477445083423
Energy: 1.2954998583083865
Energy: 1.2626257305934219
Energy: 1.2954998583708204
Energy: 1.2416645950259106
Energy: 1.3672384842900287
Energy: 1.2110111774546475
Energy: 1.3672384842891845
Energy: 1.1439225679451808
Energy: 1.3980766838816538
Energy: 1.1713106851830573
Energy: 1.3980766838850307
Energy: 1.125654656192855
Energy: 1.2971925735193377
Energy: 1.1241996563910073
Energy: 1.2971925735193377
Energy: 1.1730972568245321
Energy: 1.2949792351459928
Energy: 1.1377478533368777
Energy: 1.2949792350894684
Energy: 1.1456376361466085
Energy: 1.3984885931683437
Energy: 1.2278312155893816
Energy: 1.3984885931683437
Energy: 1.2860716275754398
Energy: 1.2482189279099876
Energy: 1.1199512438997572
Energy: 1.2482189278990128
Energy: 1.1262632922468856
Energy: 1.3007515314177478
Energy: 1.1978370430638645
Energy: 1.3007515314152154
Energy: 1.1414939876971117
Energy: 1.2954780809655153
Energy: 1.1416602998613643
Energy: 1.295478080964671
Energy: 1.2536667045977
Energy: 1.3018784282470397
Energy: 1.2992706962238347
Energy: 1.3018784282495723
Energy: 1.1192146697004008
Energy: 1.4958646108975162
Energy: 1.2089211279035166
Energy: 1.4958646108975162
Energy: 1.2208428968586433
Energy: 1.400643146661473
Energy: 1.1457937190309346
Energy: 1.4006431466606288
Energy: 1.1904222925494348
Energy: 1.2929655919836256
Energy: 1.1726335328826016
Energy: 1.2929655911676445
Energy: 1.1239066964226267
Energy: 1.3658813591399563
Energy: 1.3270083535033659
Energy: 1.365881359139112
Energy: 1.1973687170156022
Energy: 1.284944593179432
Energy: 1.1438514837199636
Energy: 1.2849445931777435
Energy: 1.278191019863245
Energy: 1.3969841435277182
Energy: 1.1871215935042978
Energy: 1.3969841435268737
Energy: 1.1222350192965376
Energy: 1.2930390167394061
Energy: 1.1231146170597677
Energy: 1.2930390167453159
Energy: 1.14720293244858
Energy: 1.2864727265003304
Energy: 1.1924540777536152
Energy: 1.2864727265003304
Energy: 1.1235213918692708
Energy: 1.2952307527241562
Energy: 1.2871336258654287
Energy: 1.2952307527241562
Energy: 1.250397348296744
Energy: 1.3001167373395464
Energy: 1.1211305071433948
Energy: 1.3001167373378575
Energy: 1.2298040072674832
Energy: 1.3683289570698867
Energy: 1.1939628102143558
Energy: 1.3683289570690427
Energy: 1.297985323329372
Energy: 1.2783717340710419
Energy: 1.2505696489013296
Energy: 1.2783717340701974
Energy: 1.2813539213776042
Energy: 1.3030600360177194
Energy: 1.1222221788966504
Energy: 1.3030600360177194
Energy: 1.2124908698745993
Energy: 1.2957312578290237
Energy: 1.333464199269317
Energy: 1.295731257830712
Energy: 1.1716194432519083
Energy: 1.2947987749502246
Energy: 1.1940174293879728
Energy: 1.294798774948536
Energy: 1.3270049514682676
Energy: 1.4816981648754484
Energy: 1.1253592838486304
Energy: 1.4816981648754484
Energy: 1.1375951162695643
Energy: 1.3965474340845554
Energy: 1.1983472951806005
Energy: 1.3965474340820228

minimum gb energy = 1.1192146697004008 eV
minimum distance =  2.26360895093661 Angstroms
sigma value = 53


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

Energy: 1.1186734364732513
Energy: 1.116529446166211
Energy: 1.288131123350761
Energy: 1.116529446166211
Energy: 1.2644008528878479
Energy: 1.2302188942030892
Energy: 1.109777732725007
Energy: 1.2302188942011898
Energy: 1.1195912220833826
Energy: 1.1167333387878973
Energy: 1.137379920326024
Energy: 1.1167333387878973
Energy: 1.1196313891422427
Energy: 1.1168076491625527
Energy: 1.1375383978642795
Energy: 1.116807649164496
Energy: 1.2643275096289415
Energy: 1.230271814556981
Energy: 1.1091894266166107
Energy: 1.2302718145589249
Energy: 1.1186734364732513
Energy: 1.1165294461642674
Energy: 1.325903737601164
Energy: 1.116529446166211
Energy: 1.2644008528878479
Energy: 1.2302188942030892
Energy: 1.1377664832938257
Energy: 1.2302188942030892
Energy: 1.1195912220833826
Energy: 1.1167333387878973
Energy: 1.2698574113288048
Energy: 1.1167333387878973
Energy: 1.1196313891422427
Energy: 1.1168076491625527
Energy: 1.1946499648590407
Energy: 1.1168076491625527
Energy: 1.264327509630885
Energy: 1.230271814556981
Energy: 1.1565013016987704
Energy: 1.230271814556981
Energy: 1.1186734364713076
Energy: 1.116529446166211
Energy: 1.2739139728273356
Energy: 1.116529446166211
Energy: 1.2644008528878479
Energy: 1.2302188942030892
Energy: 1.194197225459671
Energy: 1.2302188942030892
Energy: 1.1195912220833826
Energy: 1.1167333387878973
Energy: 1.2698573978252035
Energy: 1.1167333387878973

minimum gb energy = 1.1091894266166107 eV
minimum distance =  2.30833917071575 Angstroms
sigma value = 9


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

Energy: 1.2322388659780026
Energy: 1.2628823241407057
Energy: 1.3789202038423483
Energy: 1.2628823241493377
Energy: 1.3448592451031607
Energy: 1.246054763151062
Energy: 1.198257834516801
Energy: 1.2460547631517813
Energy: 1.1480705079986167
Energy: 1.212737268352886
Energy: 1.1645899692913404
Energy: 1.2127372683536055
Energy: 1.2060987179648155
Energy: 1.5326407501300363
Energy: 1.1587397018739416
Energy: 1.5326407501307555
Energy: 1.2531519191064355
Energy: 1.2756350223739314
Energy: 1.185698095437055
Energy: 1.2756350223739314
Energy: 1.215139538791803
Energy: 1.2123959351661813
Energy: 1.1900766361019945
Energy: 1.2123959351661813
Energy: 1.3773140850877492
Energy: 1.2684507893677621
Energy: 1.1992049338909534
Energy: 1.2684507893663235
Energy: 1.1637654839690845
Energy: 1.5373846312831576
Energy: 1.268112149349492
Energy: 1.5373846312831576
Energy: 1.151194526662254
Energy: 1.547825064714164
Energy: 1.2218183330903385
Energy: 1.547825064714164
Energy: 1.1493089752477343
Energy: 1.241295135636579
Energy: 1.1995677534772669
Energy: 1.241295135637298
Energy: 1.1659241214235438
Energy: 1.567092590002825
Energy: 1.3146871096847346
Energy: 1.5670925900035444
Energy: 1.3351895741265758
Energy: 1.3418966084356847
Energy: 1.1540694472524275
Energy: 1.3418966084349653
Energy: 1.1505446203173855
Energy: 1.2419798130329907
Energy: 1.2962444852998638
Energy: 1.2419798128209163
Energy: 1.211925499290642
Energy: 1.5386039970498955
Energy: 1.2385296378260837
Energy: 1.5386039970498955
Energy: 1.2077064496868113
Energy: 1.3800872940925089
Energy: 1.2307318749309129
Energy: 1.3800872940917897
Energy: 1.154311117186127
Energy: 1.5470950184348633
Energy: 1.1960714275155897
Energy: 1.5470950184348633
Energy: 1.2069240308550757
Energy: 1.3808242598765783
Energy: 1.165513604471669
Energy: 1.380824259875859
Energy: 1.169573990673097
Energy: 1.2687580642073462
Energy: 1.3145067098792689
Energy: 1.2687580642073462
Energy: 1.3192298288374191
Energy: 1.2418685674618368
Energy: 1.2171806178185147
Energy: 1.241868567382775
Energy: 1.193460526990488
Energy: 1.2598020250233313
Energy: 1.2300513626065661
Energy: 1.2598020250233313
Energy: 1.2127372238477285
Energy: 1.530937829703603
Energy: 1.2086831108732903
Energy: 1.5309378297028833
Energy: 1.2290372551733364
Energy: 1.2843239378858586
Energy: 1.148929667905163
Energy: 1.2843239378858586
Energy: 1.221806516787124
Energy: 1.4053038730717304
Energy: 1.1514086586002834
Energy: 1.4053038730717304
Energy: 1.3731656751877586
Energy: 1.3439049993632526
Energy: 1.163547765172777
Energy: 1.343904999363972
Energy: 1.1982911447275697
Energy: 1.4423941952888415
Energy: 1.419366002951591
Energy: 1.4423941952902801
Energy: 1.170682646583549
Energy: 1.212985565347836
Energy: 1.1484289167573087
Energy: 1.212985565347836
Energy: 1.2124443122898816
Energy: 1.3819473103504984
Energy: 1.2055486774382387
Energy: 1.3819473103490596
Energy: 1.2281930426527907
Energy: 1.53251342351143
Energy: 1.2064098875163496
Energy: 1.53251342351143
Energy: 1.2031300974401289
Energy: 1.2124604361658413
Energy: 1.147716774288162
Energy: 1.2124604361658413
Energy: 1.1979292558239314
Energy: 1.3446011765962258
Energy: 1.4210956590462107
Energy: 1.3446011765955064
Energy: 1.37988732786269
Energy: 1.207051195551679
Energy: 1.1626869797158155
Energy: 1.2070511955631884
Energy: 1.1990907762736112
Energy: 1.2714204488855205
Energy: 1.148986788503648
Energy: 1.2714204488855205
Energy: 1.1983552133356414
Energy: 1.2840666185700236
Energy: 1.1482335266217822
Energy: 1.2840666185707428
Energy: 1.2035789908964298
Energy: 1.5322123442137405
Energy: 1.2060385429620224
Energy: 1.53221234421446
Energy: 1.1856704338446262
Energy: 1.4165523026285516
Energy: 1.3771548625369407
Energy: 1.4165523026285516

minimum gb energy = 1.147716774288162 eV
minimum distance =  2.27240628916609 Angstroms
sigma value = 73


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

Energy: 1.2661339453517313
Energy: 1.2664774321289216
Energy: 1.2918186498415856
Energy: 1.2664774325430284
Energy: 1.3055252661481591
Energy: 1.3379528456882839
Energy: 1.2118630552815288
Energy: 1.3379528456894252
Energy: 1.1665656970557836
Energy: 1.2090193851710171
Energy: 1.18661912765282
Energy: 1.2090193851710171
Energy: 1.1272355998329195
Energy: 1.4314716356803703
Energy: 1.19112614697879
Energy: 1.431471635679229
Energy: 1.1742062897765744
Energy: 1.311327230639859
Energy: 1.1718246085816046
Energy: 1.311327230639859
Energy: 1.1948103541595578
Energy: 1.255621923472553
Energy: 1.2199531757930586
Energy: 1.255621923472553
Energy: 1.4015575406254566
Energy: 1.353606843230486
Energy: 1.1599582595408064
Energy: 1.353606843230486
Energy: 1.155808183429819
Energy: 1.2319591315054006
Energy: 1.3708997129031082
Energy: 1.2319591315054006
Energy: 1.2904251998322862
Energy: 1.2331338117239665
Energy: 1.2303768835241453
Energy: 1.2331338117239665
Energy: 1.1629929965160837
Energy: 1.2547060308732056
Energy: 1.1630904152255335
Energy: 1.2547060308732056
Energy: 1.152638503213007
Energy: 1.2330582465083657
Energy: 1.2584381610516888
Energy: 1.2330582465083657
Energy: 1.2709195013741617
Energy: 1.4299712384732575
Energy: 1.1268029944128384
Energy: 1.4299712384732575
Energy: 1.1913751519016484
Energy: 1.3015121842907689
Energy: 1.3697511593097502
Energy: 1.3015121842907689
Energy: 1.2821696224281185
Energy: 1.4086914028780806
Energy: 1.1932519006554372
Energy: 1.4086914028780806
Energy: 1.1794026090201033
Energy: 1.4125880636334156
Energy: 1.3749533498815119
Energy: 1.4125880636334156
Energy: 1.2581529919389522
Energy: 1.232508976461783
Energy: 1.1560586217496123
Energy: 1.2325089764629242
Energy: 1.2716376459169996
Energy: 1.2682659763139599
Energy: 1.1670966700111776
Energy: 1.268265976311677
Energy: 1.2195129304074876
Energy: 1.4220036002621819
Energy: 1.163306590760336
Energy: 1.4220036002610406
Energy: 1.1234264276202568
Energy: 1.2324677861052469
Energy: 1.1554658199261294
Energy: 1.2324677861052469
Energy: 1.2117159108405116
Energy: 1.2891764816860245
Energy: 1.4458521986684383
Energy: 1.2891764816860245
Energy: 1.3064023024078557
Energy: 1.2437992738367403
Energy: 1.1968967040931457
Energy: 1.2437992738378816
Energy: 1.2074589513093745
Energy: 1.3100447107374598
Energy: 1.2857040809848315
Energy: 1.3100447107374598

minimum gb energy = 1.1234264276202568 eV
minimum distance =  2.28953371520387 Angstroms
sigma value = 7


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

Energy: 1.2671373514201858
Energy: 1.2632307271119945
Energy: 1.4521403797323107
Energy: 1.2632307271111873
Energy: 1.3523628296141168
Energy: 1.2712202015164582
Energy: 1.205116951812037
Energy: 1.271220201515651
Energy: 1.1787133778867025
Energy: 1.4690813275765164
Energy: 1.1607611454957794
Energy: 1.4690813275757095
Energy: 1.1441304794964513
Energy: 1.3381227082356182
Energy: 1.207849940128683
Energy: 1.3381227082348113
Energy: 1.1840209578536656
Energy: 1.2897790126635504
Energy: 1.1630397090654039
Energy: 1.2897790126643573
Energy: 1.181642153907364
Energy: 1.263888372382208
Energy: 1.2759943347425302
Energy: 1.263888372381401
Energy: 1.3872062392597104
Energy: 1.4389342532632097
Energy: 1.1631547789333623
Energy: 1.4389342532648237
Energy: 1.1815791504986133
Energy: 1.2638984297898193
Energy: 1.410155110197081
Energy: 1.2638984297906264
Energy: 1.291262778751225
Energy: 1.3174620479714885
Energy: 1.2044962496681109
Energy: 1.3174620479714885
Energy: 1.1808126537268826
Energy: 1.2976113200800377
Energy: 1.350819590833069
Energy: 1.2976113200800377
Energy: 1.1478310498819035
Energy: 1.4680447164992603
Energy: 1.1631052090961265
Energy: 1.4680447165000674
Energy: 1.2340059667341017
Energy: 1.2901762121434972
Energy: 1.1597782948845095
Energy: 1.2901762121451112
Energy: 1.271346186421161
Energy: 1.2646380573163931
Energy: 1.163192540972469
Energy: 1.2646380573131648
Energy: 1.1690711746632783
Energy: 1.2484747766162505
Energy: 1.1589892342917307
Energy: 1.2484747766154434
Energy: 1.1826214372367563
Energy: 1.3708327183227456
Energy: 1.391422313059643
Energy: 1.3708327183203244
Energy: 1.3373297779150424
Energy: 1.2471558865027166
Energy: 1.2007313430531226
Energy: 1.2471558865043304
Energy: 1.1827555507228529
Energy: 1.2907487748239461
Energy: 1.3249882827200195
Energy: 1.2907487748239461
Energy: 1.183014174356722
Energy: 1.2503369527834227
Energy: 1.1594012355850303
Energy: 1.2503369527793877
Energy: 1.180828514167184
Energy: 1.2639898416927302
Energy: 1.1633049654613112
Energy: 1.2639898416911162
Energy: 1.1803722592690726
Energy: 1.2900107323434737
Energy: 1.1599491279868874
Energy: 1.2900107323410526
Energy: 1.1493118531113615
Energy: 1.422388430214496
Energy: 1.204236109382056
Energy: 1.422388430214496
Energy: 1.1805892200247743
Energy: 1.4622685044584074
Energy: 1.3503945523802237
Energy: 1.462268504461635
Energy: 1.3375004024473482
Energy: 1.433310593785914
Energy: 1.1743488233404225
Energy: 1.433310593785914
Energy: 1.2701062015962277
Energy: 1.2637799448335072
Energy: 1.2658244628754323
Energy: 1.2637799448367353
Energy: 1.215091060200603
Energy: 1.2902962844529458
Energy: 1.1743295593711898
Energy: 1.29029628445456
Energy: 1.1429801223043303
Energy: 1.4668165460273235
Energy: 1.155825820326548
Energy: 1.4668165460289377
Energy: 1.1824412293041966
Energy: 1.2979129204484519
Energy: 1.183552634697697
Energy: 1.2979129204484519
Energy: 1.1437663185325515
Energy: 1.2903866610307995
Energy: 1.207656757107973
Energy: 1.2903866610299923
Energy: 1.1779565368027676
Energy: 1.2637781708265095
Energy: 1.2274464775807692
Energy: 1.2637781708265095
Energy: 1.4052013718319034
Energy: 1.227804608310467
Energy: 1.2069692516757289
Energy: 1.227804608312081
Energy: 1.177956521211719
Energy: 1.2638620584902147
Energy: 1.357892455780916
Energy: 1.2638620584926359

minimum gb energy = 1.1429801223043303 eV
minimum distance =  2.27284960755192 Angstroms
sigma value = 29


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

Energy: 1.1930812110731244
Energy: 1.197734473557363
Energy: 1.3385907739279497
Energy: 1.197734473557644
Energy: 1.1280916057293975
Energy: 1.2134902181520688
Energy: 1.215404581947964
Energy: 1.2134902181517875
Energy: 1.0814810043544256
Energy: 1.2823294938933403
Energy: 1.1267855495026373
Energy: 1.2823294938930903
Energy: 1.2130770099477521
Energy: 1.238092705476256
Energy: 1.2153737035203753
Energy: 1.2380927054748816
Energy: 1.1912328956300633
Energy: 1.2700221903099163
Energy: 1.081799307579708
Energy: 1.2700221903099163
Energy: 1.082234087839142
Energy: 1.3079983999973417
Energy: 1.0822393746708034
Energy: 1.3079983999979041
Energy: 1.0818407349173191
Energy: 1.2699780251478074
Energy: 1.1908918354175682
Energy: 1.2699780251472454
Energy: 1.2154601586051328
Energy: 1.237741834083801
Energy: 1.2160370409257863
Energy: 1.2377418340829576
Energy: 1.1259843155475764
Energy: 1.282119015346613
Energy: 1.0814759352460235
Energy: 1.2821190153468942

minimum gb energy = 1.0814759352460235 eV
minimum distance =  2.30529408534091 Angstroms
sigma value = 5


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

Energy: 1.150071477738592
Energy: 1.171882942737381
Energy: 1.4575951679648322
Energy: 1.1718829427381436
Energy: 1.39816671784807
Energy: 1.1258264888319034
Energy: 1.0965446392237177
Energy: 1.1258264888280918
Energy: 1.0851372284793548
Energy: 1.1536395535268684
Energy: 1.2793967631862035
Energy: 1.1536395535276307
Energy: 1.0742180167631736
Energy: 1.2071797699784248
Energy: 1.1256680411100655
Energy: 1.2071797699784248
Energy: 1.111015691084049
Energy: 1.214652372615662
Energy: 1.2834359599560023
Energy: 1.2146523726164242
Energy: 1.1168447312570036
Energy: 1.1738520326888349
Energy: 1.1024511502867442
Energy: 1.1738520326888349
Energy: 1.085702692470637
Energy: 1.2143608059599396
Energy: 1.0878909528018572
Energy: 1.2143608059599396
Energy: 1.0864990566674229
Energy: 1.1743233346350055
Energy: 1.0916690834621607
Energy: 1.174323334635768
Energy: 1.1136823547666592
Energy: 1.2137543075827535
Energy: 1.0704624112861085
Energy: 1.2137543075835162
Energy: 1.1221741639945408
Energy: 1.2163677143279519
Energy: 1.0722502342164988
Energy: 1.2163677143279519
Energy: 1.0853775905472278
Energy: 1.2034463564742122
Energy: 1.089097076755486
Energy: 1.203446356476499
Energy: 1.087975169484457
Energy: 1.1410624069797533
Energy: 1.175647517287772
Energy: 1.1410624069789908
Energy: 1.1226733572511378
Energy: 1.1722320250996168
Energy: 1.1764102329396107
Energy: 1.1722320251003788
Energy: 1.113105197093573
Energy: 1.1720264680630745
Energy: 1.3814377848232775
Energy: 1.172026468062312
Energy: 1.3082092007168922
Energy: 1.1153977033672269
Energy: 1.0889266941501943
Energy: 1.1153977033672269
Energy: 1.1230472440138026
Energy: 1.1535439256223308
Energy: 1.1011732872823805
Energy: 1.153543925623093
Energy: 1.2769110753064659
Energy: 1.1403071621902972
Energy: 1.0975118398316004
Energy: 1.1403071621910592
Energy: 1.1130621787286739
Energy: 1.1721806476731313
Energy: 1.1730809869949534
Energy: 1.1721806476723693
Energy: 1.1115329990107925
Energy: 1.2170862102843252
Energy: 1.0978498351626906
Energy: 1.2170862102850875
Energy: 1.0855779523368114
Energy: 1.2336044533087611
Energy: 1.1288318960698993
Energy: 1.2336044533072363
Energy: 1.0728813489014717
Energy: 1.1995730521244043
Energy: 1.122003481188819
Energy: 1.1995730521236423
Energy: 1.1118911485404346
Energy: 1.2143035629225754
Energy: 1.111850477119547
Energy: 1.214303562921813
Energy: 1.0991669019189005
Energy: 1.173379956196477
Energy: 1.0731599148804634
Energy: 1.173379956196477
Energy: 1.1744625951154706
Energy: 1.2057486352153302
Energy: 1.0858633179059232
Energy: 1.2057486352153302
Energy: 1.1815033199753064
Energy: 1.1577606303744992
Energy: 1.094940086431357
Energy: 1.1577606303744992
Energy: 1.1499999748160414
Energy: 1.1721128026105596
Energy: 1.1131545117923043
Energy: 1.1721128026120844
Energy: 1.0985761616303595
Energy: 1.1042608666475386
Energy: 1.1341265034342896
Energy: 1.1042608666475386
Energy: 1.0980610222412646
Energy: 1.2083280707488098
Energy: 1.1230847937234874
Energy: 1.2083280707488098
Energy: 1.095691966976114
Energy: 1.125830071855987
Energy: 1.4350792491943656
Energy: 1.125830071855987
Energy: 1.2428011174457407
Energy: 1.1720391493998792
Energy: 1.1128269307465268
Energy: 1.1720391493991171
Energy: 1.1013776650584282
Energy: 1.1358263653170566
Energy: 1.2672479472607245
Energy: 1.1358263653178189
Energy: 1.2750157066207972
Energy: 1.1575365168830702
Energy: 1.0878577826465106
Energy: 1.1575365168807834
Energy: 1.1242769809409046
Energy: 1.2067166038439183
Energy: 1.0741562697776061
Energy: 1.2067166038439183

minimum gb energy = 1.0704624112861085 eV
minimum distance =  2.29481217229013 Angstroms
sigma value = 1


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

Energy: 1.2338862766529146
Energy: 1.1104279906100636
Energy: 1.259979760706867
Energy: 1.1104279906111176
Energy: 1.327889594351676
Energy: 1.053214643180796
Energy: 1.0623998345931822
Energy: 1.053214643179742
Energy: 1.0444187926952502
Energy: 1.1115968114996648
Energy: 1.2405055864901218
Energy: 1.1115968114996648
Energy: 1.0554132280738853
Energy: 1.1636685012145924
Energy: 1.0888297000035645
Energy: 1.1636685012145924
Energy: 1.020229173001538
Energy: 1.105306231202465
Energy: 1.3960686316668118
Energy: 1.1053062312014112
Energy: 1.0227784597285876
Energy: 1.1133607146243505
Energy: 1.0913358438908536
Energy: 1.1133607146232964
Energy: 1.0416894837649495
Energy: 1.2137690383768875
Energy: 1.1146322167674438
Energy: 1.2137690383768875
Energy: 1.0435051436647496
Energy: 1.1148501992706665
Energy: 1.0792735051862061
Energy: 1.1148501992706665
Energy: 1.117067108919266
Energy: 1.1146768998919607
Energy: 1.0815473707033183
Energy: 1.1146768998919607
Energy: 1.109731716515689
Energy: 1.308454553658364
Energy: 1.0775696698275508
Energy: 1.3084545536594183
Energy: 1.0426891503214804
Energy: 1.1147903007974664
Energy: 1.0772668389495341
Energy: 1.1147903007974664
Energy: 1.0427875392835684
Energy: 1.2099251567689604
Energy: 1.0991559004405111
Energy: 1.2099251567689604
Energy: 1.0221804408666937
Energy: 1.1584206247281683
Energy: 1.0893737351869783
Energy: 1.1584206247271143
Energy: 1.0195058924148153
Energy: 1.1099671703968892
Energy: 1.214695486408262
Energy: 1.1099671703968892
Energy: 1.0927361038130214
Energy: 1.1617352742248832
Energy: 1.0894379042217865
Energy: 1.1617352742238294
Energy: 1.0443705309039581
Energy: 1.1112557971503347
Energy: 1.051090144467525
Energy: 1.1112557971503347
Energy: 1.4480520828837473
Energy: 1.0562400778971666
Energy: 1.063588320000386
Energy: 1.0562400778961125
Energy: 1.2338862766539687
Energy: 1.1104279906111176
Energy: 1.259980263227876
Energy: 1.1104279906111176
Energy: 1.3278895943506217
Energy: 1.053214643180796
Energy: 1.0623998345931822
Energy: 1.053214643180796
Energy: 1.0444187926941961
Energy: 1.111596811500719
Energy: 1.2570031406907207
Energy: 1.1115968114996648
Energy: 1.055413228074939
Energy: 1.1636685012145924
Energy: 1.0888297000035645
Energy: 1.1636685012145924
Energy: 1.020229173001538
Energy: 1.105306231202465
Energy: 1.3131805903235647
Energy: 1.1053062312035193
Energy: 1.0227784597296414
Energy: 1.1133607146243505
Energy: 1.0913358438908536
Energy: 1.1133607146243505
Energy: 1.0416894837638957
Energy: 1.2137690383758337
Energy: 1.1146322167674438
Energy: 1.2137690383768875

minimum gb energy = 1.0195058924148153 eV
minimum distance =  2.30355534263427 Angstroms
sigma value = 17


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

Energy: 1.089115765709824
Energy: 1.0860116871844505
Energy: 1.4682302643195466
Energy: 1.086011687183799
Energy: 1.3165450692701566
Energy: 1.0695384833627621
Energy: 1.036528322380458
Energy: 1.0695384833660193
Energy: 1.036807507626674
Energy: 1.0682076387874373
Energy: 1.3163226339706273
Energy: 1.0682076387861343
Energy: 1.0593381541883262
Energy: 1.25252732673362
Energy: 1.0332058797650727
Energy: 1.2525273267342716
Energy: 1.0184717305329198
Energy: 1.1488249099642798
Energy: 1.3304365206346305
Energy: 1.1488249099629768
Energy: 1.007017840351328
Energy: 1.2690138590797535
Energy: 1.0543725177635754
Energy: 1.2690138590797535
Energy: 1.036566158867476
Energy: 1.1273749561103117
Energy: 1.093235146012293
Energy: 1.1273749561103117
Energy: 1.018141322528845
Energy: 1.2794223629977592
Energy: 1.017096774313333
Energy: 1.2794223629977592
Energy: 1.081251310399131
Energy: 1.2807993062495413
Energy: 1.0589549952935222
Energy: 1.280799306250844
Energy: 1.0850936897095484
Energy: 1.111201398611518
Energy: 1.0367714479450565
Energy: 1.111201398611518
Energy: 1.0376355779158022
Energy: 1.2513806619738055
Energy: 1.0180049997214367
Energy: 1.2513806619738055
Energy: 1.0400166480274013
Energy: 1.1189001326307018
Energy: 1.0195299968017604
Energy: 1.1189001326307018
Energy: 1.0059334038869434
Energy: 1.2691875622990756
Energy: 1.0349816923903639
Energy: 1.2691875622990756
Energy: 1.0185457569694791
Energy: 1.1482092481781359
Energy: 1.114962837284355
Energy: 1.1482092481794388
Energy: 1.0213171182531326
Energy: 1.260189312159172
Energy: 1.0949242468676732
Energy: 1.2601893121585206
Energy: 1.0370264673085843
Energy: 1.0688208682192992
Energy: 1.3136024734175544
Energy: 1.0688208682199507
Energy: 1.0483229269100978
Energy: 1.2615694343486077
Energy: 1.0347041263342505
Energy: 1.2615694343486077
Energy: 1.0319977278719468
Energy: 1.0866264649634534
Energy: 1.0330946358827917
Energy: 1.0866264649641049
Energy: 1.2023802092792029
Energy: 1.1207074884606714
Energy: 1.036981975986868
Energy: 1.1207074884593684
Energy: 1.0543826771672684
Energy: 1.0682120047217134
Energy: 1.1975255154426967
Energy: 1.0682120047217134
Energy: 1.4575397865564035
Energy: 1.0586205424048374
Energy: 1.0346422025781705
Energy: 1.058620542404186
Energy: 1.0351857646239253
Energy: 1.0876042801214927
Energy: 1.3244265964977588
Energy: 1.0876042801221442
Energy: 1.1904475571259707
Energy: 1.0508043721891573
Energy: 1.0536721192924186
Energy: 1.050804372188506
Energy: 1.0377511073007506
Energy: 1.1284409847810166
Energy: 1.2227247940305157
Energy: 1.1284409847810166
Energy: 1.0468352819326114
Energy: 1.087273443588922
Energy: 1.0322265751280764
Energy: 1.087273443588922
Energy: 1.0358440774810276
Energy: 1.1500222978415535
Energy: 1.0516465303906277
Energy: 1.150022297842205
Energy: 1.1807785611661166
Energy: 1.102931423263446
Energy: 1.0378598433787056
Energy: 1.1029314232621428
Energy: 1.0982349771276891
Energy: 1.2603410123584176
Energy: 1.019387808102907
Energy: 1.2603410123597205
Energy: 1.1120029385704808
Energy: 1.1477821696823136
Energy: 1.0191598962047443
Energy: 1.147782169682965
Energy: 1.0360177721332813
Energy: 1.2682708373070533
Energy: 1.0618262674307501
Energy: 1.2682708373077047
Energy: 1.0194310130609154
Energy: 1.1480794499544411
Energy: 1.0402573538186675
Energy: 1.148079449955744
Energy: 1.0195160526110956
Energy: 1.2515771976551215
Energy: 1.0353748052826557
Energy: 1.2515771976531669
Energy: 1.0376907986315806
Energy: 1.1113472258206836
Energy: 1.2148776137035349
Energy: 1.1113472258232897
Energy: 1.0633235485966333
Energy: 1.2834480092349967
Energy: 1.0578179185188115
Energy: 1.2834480092356482
Energy: 1.0174508432042424
Energy: 1.0875339203864638
Energy: 1.0517769986847914
Energy: 1.0875339203864638
Energy: 1.088187243802223
Energy: 1.1287675129640218
Energy: 1.0350054736581562
Energy: 1.1287675129633705
Energy: 1.0538061054789167
Energy: 1.2693294135260145
Energy: 1.006268426805738
Energy: 1.2693294135260145
Energy: 1.3170303672266908
Energy: 1.1501259752462523
Energy: 1.0352345799257303
Energy: 1.1501259752456008

minimum gb energy = 1.0059334038869434 eV
minimum distance =  2.29327780234733 Angstroms
sigma value = 89


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

Energy: 0.9482075083611635
Energy: 0.9462801468807834
Energy: 1.343299423092724
Energy: 0.9462801468807834
Energy: 0.9512952382005424
Energy: 0.9873363436276482
Energy: 0.9540414944746526
Energy: 0.9873363436276482
Energy: 0.954580568428268
Energy: 1.117953366263604
Energy: 0.9333692524630168
Energy: 1.117953366263604
Energy: 0.9231634228249128
Energy: 0.9873377213935531
Energy: 0.9541477732419481
Energy: 0.9873377213935531
Energy: 0.953356794999004
Energy: 1.0312450068736663
Energy: 1.264709823257567
Energy: 1.0312450068736663
Energy: 0.9499154493452774
Energy: 0.9475875458199987
Energy: 0.9513804835966233
Energy: 0.9475875458199987
Energy: 0.9532091295836748
Energy: 1.1179408804335644
Energy: 0.9521657066043085
Energy: 1.1179408804335644
Energy: 0.9087907235329892
Energy: 1.36055792695022
Energy: 0.9537343141825915
Energy: 1.3605579269485153
Energy: 0.9472793233758624
Energy: 1.031714124177123
Energy: 0.9081309186659722
Energy: 1.031714124177123
Energy: 0.9872671950054109
Energy: 0.9460912871904463
Energy: 0.9486478807862345
Energy: 0.9460912871904463
Energy: 0.9434740407609683
Energy: 0.9884944923339763
Energy: 0.9540159317035521
Energy: 0.9884944923339763
Energy: 0.9436129123897925
Energy: 1.1212325125678144
Energy: 0.954870257280156
Energy: 1.1212325125678144
Energy: 0.9496345296098796
Energy: 0.9490498046164194
Energy: 0.9075233602518801
Energy: 0.9490498046164194
Energy: 0.9505888893102118
Energy: 1.0300248909969163
Energy: 0.9507460011541238
Energy: 1.0300248909969163
Energy: 0.9073649724316719
Energy: 0.948978743852019
Energy: 0.9496741469050267
Energy: 0.948978743852019

minimum gb energy = 0.9073649724316719 eV
minimum distance =  2.31696053493664 Angstroms
sigma value = 13


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

Energy: 0.9226720807915639
Energy: 0.8800762002921486
Energy: 1.130355702387422
Energy: 0.8800762002935775
Energy: 1.3763524000723288
Energy: 0.9079914918696771
Energy: 0.8641424907105331
Energy: 0.9079914918675338
Energy: 0.8827832088981761
Energy: 0.8809777027991127
Energy: 1.0034187331897195
Energy: 0.8809777028012561
Energy: 0.8886059553853489
Energy: 0.9076929105750328
Energy: 0.860533376991421
Energy: 0.9076929105764617
Energy: 0.8905995791512532
Energy: 0.9436601403504072
Energy: 0.8906177666359182
Energy: 0.9436601403496928
Energy: 1.044798795242402
Energy: 0.9083553521270049
Energy: 0.8950217875973874
Energy: 0.9083553521291483
Energy: 0.8906425742280585
Energy: 0.950600590192389
Energy: 1.3471227526146399
Energy: 0.9506005901895311
Energy: 0.847729702744386
Energy: 0.9084514023140519
Energy: 0.8952014721094984
Energy: 0.908451402311194
Energy: 0.8908263528012573
Energy: 0.949355848602296
Energy: 1.1290742999896812
Energy: 0.9493558486058683
Energy: 1.0649017449708877
Energy: 0.9699481548830131
Energy: 0.8608124502069885
Energy: 0.9699481548873
Energy: 0.890528773147226
Energy: 0.9710374060521717
Energy: 0.8680072265497599
Energy: 0.971037406054315
Energy: 1.207166956173021
Energy: 0.9698153717662858
Energy: 0.8597449350569354
Energy: 0.9698153717684291
Energy: 0.9303952334333371
Energy: 0.9000602853567116
Energy: 0.8685108755593831
Energy: 0.9000602853552826
Energy: 1.2325900856695946
Energy: 0.9702757652680576
Energy: 0.8597355214717199
Energy: 0.9702757652673434
Energy: 0.8907784286700321
Energy: 0.8805498776948293
Energy: 0.8552213754145407
Energy: 0.8805498776955437
Energy: 0.8877646739648472
Energy: 0.9706032215562052
Energy: 0.8613806421030139
Energy: 0.9706032215547762
Energy: 0.8816268834129457
Energy: 0.8788843988062585
Energy: 0.8649426983866363
Energy: 0.8788843988105454
Energy: 0.8800867997555267
Energy: 0.9468549322680601
Energy: 0.9028634417592402
Energy: 0.9468549322687745
Energy: 0.8817091519481095
Energy: 0.9472948345300475
Energy: 0.9025271793052688
Energy: 0.9472948345286186
Energy: 0.881875953473491
Energy: 0.9473231260851683
Energy: 0.90264196440306
Energy: 0.9473231260823104
Energy: 0.8781915970429042
Energy: 0.9468048841571199
Energy: 0.9026198434444492
Energy: 0.9468048841564055
Energy: 0.8815667883095938
Energy: 0.878883989240844
Energy: 0.865282020608184
Energy: 0.8788839892444162
Energy: 0.8879060748179656
Energy: 0.9704223058771083
Energy: 0.8623630634200031
Energy: 0.9704223058763939
Energy: 0.8908392619771407
Energy: 0.8811125694520885
Energy: 0.8584993441813961
Energy: 0.8811125694478017
Energy: 1.2326325731266807
Energy: 0.9703029733950204
Energy: 0.8598047524533357
Energy: 0.9703029733971638
Energy: 0.9304526669445614
Energy: 0.9002271793011047
Energy: 0.8681027091024067
Energy: 0.9002271792982469
Energy: 1.2074272186112467
Energy: 0.969927818529997
Energy: 0.8599522695200688
Energy: 0.9699278185307113
Energy: 0.8905267226266287
Energy: 0.9704847752231812
Energy: 0.8682361730955643
Energy: 0.9704847752217524
Energy: 1.0647637156734073
Energy: 0.9697783085535697
Energy: 0.8606396689462364
Energy: 0.9697783085592855
Energy: 0.8907861862337976
Energy: 0.9494283251657271
Energy: 1.0546632284357305
Energy: 0.9494283251592969
Energy: 0.8519197592571487
Energy: 0.9084130295097163
Energy: 0.895021342413339
Energy: 0.9084130295082873
Energy: 0.8906150285395027
Energy: 0.9503663574629937
Energy: 1.2231778608530988
Energy: 0.9503663574665661
Energy: 1.0447634502768193
Energy: 0.9083180550744443
Energy: 0.8951234112488433
Energy: 0.9083180550687284
Energy: 0.8906583169030305
Energy: 0.9435480776820311
Energy: 1.2232649794531687
Energy: 0.9435480776806672
Energy: 0.8884658060724481
Energy: 0.9081621209291086
Energy: 0.8605130246893865
Energy: 0.9081621209291086

minimum gb energy = 0.847729702744386 eV
minimum distance =  2.33014364129142 Angstroms
sigma value = 37


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

Energy: 1.0156202884312995
Energy: 0.8647356688940406
Energy: 0.7435860721392904
Energy: 0.8647356688940406
Energy: 1.4988726176203298
Energy: 0.8369606922779818
Energy: 0.7777417846086119
Energy: 0.8369606922767526
Energy: 0.9447929182386114
Energy: 0.937925947897838
Energy: 1.1087611763415581
Energy: 0.9379259478990672
Energy: 0.9289917431831429
Energy: 0.8377540717745747
Energy: 0.7930195844401872
Energy: 0.8377540717745747
Energy: 0.7917257806435463
Energy: 0.8368492804712612
Energy: 0.9291775852922073
Energy: 0.8368492804712612
Energy: 0.7643929667047902
Energy: 0.8368016722730492
Energy: 0.9438380182809923
Energy: 0.8368016722718201
Energy: 0.7748426744436614
Energy: 0.888701838862094
Energy: 1.2382572406611045
Energy: 0.888701838862094
Energy: 0.7702099076744899
Energy: 0.8385760622907638
Energy: 0.8430121125463947
Energy: 0.8385760622907638
Energy: 0.7778290026575614
Energy: 0.8367311708649755
Energy: 1.2243392939226876
Energy: 0.8367311708649755
Energy: 1.1453870715156436
Energy: 0.9324660065030812
Energy: 0.9427019433332803
Energy: 0.9324660065030812
Energy: 0.7903009466620502
Energy: 0.9110660892665067
Energy: 0.9399788690708752
Energy: 0.9110660892665067
Energy: 1.1648728846758387
Energy: 0.8374153056379191
Energy: 0.7933596914777326
Energy: 0.8374153056366899
Energy: 0.9434489990103693
Energy: 0.8366207319673147
Energy: 0.9012747424596075
Energy: 0.8366207319660856
Energy: 1.2483634726732464
Energy: 0.8815428187582904
Energy: 0.7727394255532702
Energy: 0.8815428187582904
Energy: 1.01605497221497
Energy: 0.8827401464181346
Energy: 0.775118427978658
Energy: 0.8827401464181346
Energy: 1.0134945173244632
Energy: 0.8371052704112716
Energy: 0.7801607807840311
Energy: 0.8371052704112716
Energy: 0.9430930114994638
Energy: 0.9296596070456371
Energy: 0.746770564331906
Energy: 0.9296596070456371
Energy: 0.9406978229930508
Energy: 0.9124953222347132
Energy: 0.7902331558862778
Energy: 0.9124953222347132
Energy: 0.790290316468967
Energy: 0.8391163494637119
Energy: 0.7866951438163071
Energy: 0.8391163494624828
Energy: 0.7867054392295394
Energy: 0.8368893100343597
Energy: 0.9445012670351394
Energy: 0.8368893100343597

minimum gb energy = 0.7435860721392904 eV
minimum distance =  2.33555899676539 Angstroms
sigma value = 25


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

Energy: 0.7565869335393997
Energy: 0.7019433048483253
Energy: 1.2141066576571597
Energy: 0.7019433048483253
Energy: 1.362086438106692
Energy: 0.7266657841081576
Energy: 0.7063015582866267
Energy: 0.7266657841091174
Energy: 0.7017177684135196
Energy: 0.7006036786965798
Energy: 0.6515152004733431
Energy: 0.7006036786965798
Energy: 0.9152708090610143
Energy: 0.7269506954788493
Energy: 0.7065132824793662
Energy: 0.7269506954778894
Energy: 0.7059138193767931
Energy: 0.7270308391945887
Energy: 0.6681535782230847
Energy: 0.7270308391945887
Energy: 0.6640572449152825
Energy: 0.726643844303904
Energy: 0.7064876783259091
Energy: 0.7266438443048637
Energy: 0.7061536002541939
Energy: 0.7005223731017204
Energy: 0.9133584236849007
Energy: 0.7005223731007606
Energy: 0.6507602218967996
Energy: 0.7548872806370459
Energy: 0.7025574273770544
Energy: 0.7548872806360861
Energy: 0.7056200220938931
Energy: 0.7272953236033428
Energy: 1.248870762113727
Energy: 0.7272953236023831
Energy: 0.6711962125622326
Energy: 0.7008188720283773
Energy: 0.7575233630921108
Energy: 0.7008188720283773
Energy: 0.7055910902915314
Energy: 0.7005503186504507
Energy: 1.168031211800095
Energy: 0.7005503186485309
Energy: 0.9654629583522831
Energy: 0.825592529977737
Energy: 0.7026553426447439
Energy: 0.825592529977737
Energy: 0.705877927595188
Energy: 0.7271031840776674
Energy: 1.0376168447427239
Energy: 0.7271031840757477
Energy: 0.9859766389896545
Energy: 0.9991360815095944
Energy: 0.7067363784660008
Energy: 0.9991360815095944
Energy: 0.7058719354840339
Energy: 0.7009121722456112
Energy: 0.6640479435109671
Energy: 0.7009121722446512
Energy: 0.9718408560878715
Energy: 0.8257803884237466
Energy: 0.7089207777760732
Energy: 0.8257803884256664
Energy: 0.7056376528531954
Energy: 0.7545503047106539
Energy: 0.6516549791251913
Energy: 0.754550304709694
Energy: 0.957310973111953
Energy: 0.7267695294008572
Energy: 0.706911177359422
Energy: 0.7267695294008572
Energy: 0.7603908525455321
Energy: 0.7008866830369462
Energy: 0.6641060230782817
Energy: 0.700886683037906
Energy: 1.1669836578029182
Energy: 0.8294225362669511
Energy: 0.7083408137820285
Energy: 0.8294225362659913
Energy: 0.7055390374274197
Energy: 0.7556624361831843
Energy: 0.6565225664332642
Energy: 0.7556624361822244
Energy: 0.6991919568539754
Energy: 0.7269958521135789
Energy: 0.7069786399607455
Energy: 0.7269958521116592
Energy: 0.7090253947258631
Energy: 0.9953745941439793
Energy: 0.9850550556524772
Energy: 0.9953745941410997
Energy: 0.6636802285435217
Energy: 0.8289194434481566
Energy: 0.708887345433454
Energy: 0.8289194434481566
Energy: 0.7078457248200741
Energy: 0.8249070131778713
Energy: 0.9707535100057484
Energy: 0.8249070131769114
Energy: 0.663847760942689
Energy: 0.7552093858019987
Energy: 0.7075277070960917
Energy: 0.7552093858019987

minimum gb energy = 0.6507602218967996 eV
minimum distance =  2.34221781667971 Angstroms
sigma value = 41


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

Energy: 1.043872460818531
Energy: 0.6463921355943757
Energy: 1.1943543948803084
Energy: 0.6463921355935888
Energy: 1.3512432651741244
Energy: 0.6286501279581727
Energy: 0.6149489684012203
Energy: 0.6286501279581727
Energy: 0.6466500120630794
Energy: 0.6126302536654369
Energy: 0.5824836227713692
Energy: 0.6126302536662238
Energy: 1.0160648488814725
Energy: 0.628993428848466
Energy: 0.614827875191158
Energy: 0.628993428848466
Energy: 0.6121816385001342
Energy: 0.6664223526379174
Energy: 0.5905202055514261
Energy: 0.6664223526387042
Energy: 0.8134569239127212
Energy: 0.6283395902676708
Energy: 0.6148059520999231
Energy: 0.6283395902684579
Energy: 0.6142614879497273
Energy: 0.6287457559301175
Energy: 0.885472885354166
Energy: 0.6287457559285436
Energy: 0.5894317763684762
Energy: 0.6466480153976559
Energy: 0.6127489087378843
Energy: 0.6466480153968691
Energy: 0.6165691193614521
Energy: 0.6466345257441465
Energy: 1.0820024426006427
Energy: 0.6466345257441465
Energy: 0.600885721602474
Energy: 0.612437208031958
Energy: 0.6470314269059042
Energy: 0.612437208031171
Energy: 0.6143632899714773
Energy: 0.6291674821566811
Energy: 1.1878171946071427
Energy: 0.629167482157468
Energy: 0.600978858227672
Energy: 0.6461434024103173
Energy: 1.0398679104334796
Energy: 0.6461434024103173
Energy: 0.6166353322106422
Energy: 0.9143465429881844
Energy: 1.3413298746452686
Energy: 0.9143465429881844
Energy: 0.8594886678325033
Energy: 0.7092053227008457
Energy: 0.647055391016484
Energy: 0.7092053227032064
Energy: 0.61433325181324
Energy: 0.6291460865247405
Energy: 1.0136609302863573
Energy: 0.6291460865223798
Energy: 0.8649161722487914
Energy: 0.6456877824444388
Energy: 0.6127237748851092
Energy: 0.6456877824460125
Energy: 0.6167016002842306
Energy: 0.9127734241627726
Energy: 0.9923075181807618
Energy: 0.9127734241635594
Energy: 0.8559847745021368
Energy: 0.7097433551380268
Energy: 0.6149515143957317
Energy: 0.7097433551380268
Energy: 0.6143489335957971
Energy: 0.6463750722414974
Energy: 0.6016718379686657
Energy: 0.6463750722414974
Energy: 0.8793601417058614
Energy: 0.6457914794988587
Energy: 0.6191926841492275
Energy: 0.6457914794988587
Energy: 0.649547679523005
Energy: 0.9134056085430303
Energy: 0.5807986247481919
Energy: 0.9134056085438172
Energy: 1.187782810905914
Energy: 0.93180693605038
Energy: 0.6150417649148848
Energy: 0.93180693605038
Energy: 1.0366965910236605
Energy: 0.646037656309611
Energy: 0.6002646535806745
Energy: 0.646037656309611
Energy: 1.0435321058750398
Energy: 0.9135204643788001
Energy: 0.6192399098865702
Energy: 0.9135204643788001
Energy: 0.64904273215663
Energy: 0.7076946279926121
Energy: 0.5860103517462188
Energy: 0.7076946279918251
Energy: 1.0103779339965417
Energy: 1.1700392033630422
Energy: 0.6152281604824762
Energy: 1.1700392033630422
Energy: 0.6145925692116774
Energy: 0.6458221354485078
Energy: 0.8630271048367023
Energy: 0.6458221354603116
Energy: 0.6289500258309596
Energy: 0.9127037060812231
Energy: 0.6193227466143296
Energy: 0.9127037060812231
Energy: 0.6168699193000259
Energy: 0.7077959666724127
Energy: 0.8554323495267618
Energy: 0.7077959666716259
Energy: 0.5981540730246375
Energy: 0.949250435077655
Energy: 0.6171456398205128
Energy: 0.949250435077655
Energy: 0.6186338133023949
Energy: 0.6456228523597194
Energy: 0.8768598179936985
Energy: 0.6456228523565717
Energy: 0.6025858215184392
Energy: 0.91359544494957
Energy: 0.6523794994045004
Energy: 0.9135954449479963

minimum gb energy = 0.5807986247481919 eV
minimum distance =  2.29373328817653 Angstroms
sigma value = 15


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

Energy: 0.9408446366697871
Energy: 0.5755567285503468
Energy: 0.8706776722601901
Energy: 0.5755567285516802
Energy: 1.3444127815247002
Energy: 0.5732262708304852
Energy: 0.5743352504399375
Energy: 0.5732262708311517
Energy: 0.6005008145242428
Energy: 0.5728338331926671
Energy: 0.5469269814791569
Energy: 0.5728338331926671
Energy: 1.0524364783006097
Energy: 0.5727259895138427
Energy: 0.5742535892453289
Energy: 0.5727259895151758
Energy: 0.5723592534643668
Energy: 0.6295316660124182
Energy: 0.5485898214447784
Energy: 0.6295316671025429
Energy: 0.9029709636719533
Energy: 0.5738219303278073
Energy: 0.5743903309260717
Energy: 0.5738219303291405
Energy: 0.573952542808455
Energy: 0.5865104935525919
Energy: 0.556799063556182
Energy: 0.5865104935532586
Energy: 0.7292490796562877
Energy: 0.5868036554108951
Energy: 0.5740992185328597
Energy: 0.5868036554095618
Energy: 0.5753749409825983
Energy: 0.5876536072368403
Energy: 0.8213733910054329
Energy: 0.587653607232174
Energy: 0.5502998534766494
Energy: 0.573342806591638
Energy: 0.5728913556389964
Energy: 0.5733428065929713
Energy: 0.5739497997163762
Energy: 0.5731982640567324
Energy: 1.0494208067151203
Energy: 0.5731982640507327
Energy: 0.5442178961073495
Energy: 0.5731678606695639
Energy: 0.6007576234993964
Energy: 0.573167860667564
Energy: 0.5753961786425795
Energy: 0.5876946991524442
Energy: 1.272105361102381
Energy: 0.587694699199048
Energy: 0.5490662132261046
Energy: 0.5734784772208343
Energy: 0.9372063028307005
Energy: 0.5734784772388334
Energy: 0.5737687457157079
Energy: 0.5742352815325605
Energy: 1.200350782755197
Energy: 0.5742352815272275
Energy: 0.7771138309595872
Energy: 0.572679809367991
Energy: 0.6007353374165637
Energy: 0.5726798093673243
Energy: 0.5756222218990948
Energy: 0.5869530111253461
Energy: 1.115957666845185
Energy: 0.5869530111253461
Energy: 0.7765051621200851
Energy: 0.6273174134771239
Energy: 0.5728203616613925
Energy: 0.6273174134797902
Energy: 0.574025351634999
Energy: 0.5730374081881826
Energy: 0.9006299763101324
Energy: 0.573037408189516
Energy: 0.7707454126881698
Energy: 0.5723599437116523
Energy: 0.5744516295961314
Energy: 0.5723599437109855
Energy: 0.5753333310408815
Energy: 0.6013147155510541
Energy: 0.8112055002895332
Energy: 0.6013147155517207
Energy: 0.7865421538163266
Energy: 0.586564905601936
Energy: 0.5771821748729604
Energy: 0.5865649056032692
Energy: 0.5737402624265191
Energy: 0.5726082646011393
Energy: 0.5506988540272683
Energy: 0.5726082638375428
Energy: 1.0989311653421852
Energy: 0.5724982303293338
Energy: 0.5742805720608288
Energy: 0.5724982303300004
Energy: 0.6019903790871289
Energy: 0.6012956576308036
Energy: 0.53714622203236
Energy: 0.6012956576501359
Energy: 1.071227351631998
Energy: 0.5867285082013436
Energy: 0.5776500720905346
Energy: 0.5867285081986772
Energy: 0.9355724629662019
Energy: 0.5732592610825716
Energy: 0.5479703225112769
Energy: 0.5732592610892379
Energy: 1.196773521523753
Energy: 0.5733605278395705
Energy: 0.5745890529890912
Energy: 0.5733605278395705
Energy: 0.6020837164137823
Energy: 0.6526042218961546
Energy: 0.5341787319731166
Energy: 0.6526042219000937
Energy: 0.9231645132702115
Energy: 0.586694811024238
Energy: 0.5771401129176771
Energy: 0.5866948110262379
Energy: 0.5742715275941466
Energy: 0.6256549786316428
Energy: 0.7772181722112677
Energy: 0.62565497615353
Energy: 0.9019937550286062
Energy: 0.5730119513463707
Energy: 0.5745917315364857
Energy: 0.5730119513463707
Energy: 0.5754857325217594
Energy: 0.6546164853204873
Energy: 0.7689401989081313
Energy: 0.6546164853238206
Energy: 0.5687902779917192
Energy: 0.606159707797983
Energy: 0.5772956120312382
Energy: 0.6061597077946499
Energy: 0.5654990444827505
Energy: 0.629026207670173
Energy: 0.7839148852525026
Energy: 0.6290262076681731
Energy: 0.5478820208663475
Energy: 0.5724285574637105
Energy: 0.5757596277167925
Energy: 0.5724285574657103
Energy: 0.5756749384989497
Energy: 0.6558742443498715
Energy: 1.0957276028672556
Energy: 0.6558742444871369

minimum gb energy = 0.5341787319731166 eV
minimum distance =  2.3340774738633 Angstroms
sigma value = 85


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

Energy: 0.8912439223065314
Energy: 0.5640379036638692
Energy: 1.0722533768002682
Energy: 0.5640379036638692
Energy: 1.3259706585327704
Energy: 0.5616154419781506
Energy: 0.5218550492340615
Energy: 0.5616154419821978
Energy: 0.8562010047386029
Energy: 0.5612782725599671
Energy: 0.45063740994236445
Energy: 0.5612782725605453
Energy: 1.0527513301573024
Energy: 0.561845205777649
Energy: 0.5217990624148505
Energy: 0.561845205777649
Energy: 0.5607731023693685
Energy: 0.5203784354578919
Energy: 0.46243757190771556
Energy: 0.5203784354584701
Energy: 0.919092409972986
Energy: 0.5610227723709891
Energy: 0.5218057971825046
Energy: 0.5610227724524588
Energy: 0.52038526639858
Energy: 0.5804819724209901
Energy: 0.497215186714329
Energy: 0.5804819724215682
Energy: 0.7844064376026905
Energy: 0.5608973264018292
Energy: 0.5218077540007304
Energy: 0.5608973264029856
Energy: 0.5216327043677444
Energy: 0.5403758619527698
Energy: 0.7874288582297896
Energy: 0.5403758619516134
Energy: 0.6213657029831343
Energy: 0.5810287776290454
Energy: 0.5205925692508935
Energy: 0.581028777624998
Energy: 0.5225488780269195
Energy: 0.5610334818046123
Energy: 0.9925438897156195
Energy: 0.5610334817982524
Energy: 0.45684991326258795
Energy: 0.5608307879097708
Energy: 0.560940058812576
Energy: 0.5608307879080363
Energy: 0.521494656963299
Energy: 0.5406447483672742
Energy: 1.1684160293408936
Energy: 0.5406447483672742
Energy: 0.45245415205191697
Energy: 0.5614892131345717
Energy: 0.8539261467774891
Energy: 0.5614892131345717
Energy: 0.5226087347287334
Energy: 0.5618406947465934
Energy: 1.1903313455854196
Energy: 0.5618406947494842
Energy: 0.4571956801614194
Energy: 0.5601829035508038
Energy: 0.8891743051684766
Energy: 0.5601829035536946
Energy: 0.5216695261009606
Energy: 0.5407116895581032
Energy: 1.3093702942941055
Energy: 0.5407116895575251
Energy: 0.6647788027597225
Energy: 0.561464407592746
Energy: 0.8539595641391803
Energy: 0.561464407592746
Energy: 0.5227273756263606
Energy: 0.5619657135388542
Energy: 1.0526353058889497
Energy: 0.5619657135388542
Energy: 0.6633365925425957
Energy: 0.561211877110344
Energy: 0.5610468409790971
Energy: 0.5612118771097659
Energy: 0.5216224910001149
Energy: 0.540792294921705
Energy: 1.039399274956237
Energy: 0.5407922949205487
Energy: 0.6581288769843093
Energy: 0.5612046069658027
Energy: 0.5210539068935082
Energy: 0.561204606966959
Energy: 0.5225760743902029
Energy: 0.560588565819128
Energy: 0.7843318447988551
Energy: 0.560588565819128
Energy: 0.7673706408982005
Energy: 0.580530968839125
Energy: 0.5218421811641539
Energy: 0.5805309687535821
Energy: 0.5217156380213298
Energy: 0.5607422834864312
Energy: 0.695800039132518
Energy: 0.5607422834864312
Energy: 1.0137886985138362
Energy: 0.5610656088629397
Energy: 0.523855369697033
Energy: 0.5610656088612053
Energy: 0.5621801791083938
Energy: 0.5607094055071168
Energy: 0.4565063528992962
Energy: 0.560709405507695
Energy: 0.9489060686367016
Energy: 0.5803092862636844
Energy: 0.5219021930394021
Energy: 0.5803092862631063
Energy: 0.8528283950989468
Energy: 0.5605176478032556
Energy: 0.449375778250662
Energy: 0.5605176478032556
Energy: 1.190316943435173
Energy: 0.5609184054445029
Energy: 0.5239136939696062
Energy: 0.5609184054560664
Energy: 0.8879147436251253
Energy: 0.5603821952309084
Energy: 0.45684328201323554
Energy: 0.5603821952303302
Energy: 1.0818293122718103
Energy: 0.5803709368911033
Energy: 0.5218776595778593
Energy: 0.5803709368916814
Energy: 0.8526708675613975
Energy: 0.560513551148289
Energy: 0.4494587541821568
Energy: 0.560513551148289
Energy: 1.0591833623017801
Energy: 0.5614297398996706
Energy: 0.5239796867499715
Energy: 0.5614297400360663
Energy: 0.5623666030121703
Energy: 0.5607938824645237
Energy: 0.6634559822575875
Energy: 0.5607938824604766
Energy: 0.8144075340069171
Energy: 0.5817012472410573
Energy: 0.5219438149249409
Energy: 0.581701247157827
Energy: 0.5219115131434588
Energy: 0.5603867673278539
Energy: 0.6580808545822787
Energy: 0.5603867673272757
Energy: 0.7841354717145945
Energy: 0.5608456078278414
Energy: 0.5243365007883701
Energy: 0.5608456078289977
Energy: 0.5227994730762195
Energy: 0.7896819366166279
Energy: 0.6853591904166272
Energy: 0.7896819366177842
Energy: 0.482438402831252
Energy: 0.6008905090547239
Energy: 0.5230124246727863
Energy: 0.600890509055302
Energy: 0.5257218678432907
Energy: 0.5602427993421509
Energy: 0.9714808425736386
Energy: 0.5602427993427291
Energy: 0.45655652676802855
Energy: 0.5607705627806894
Energy: 0.5643304708025794
Energy: 0.5607705627801113
Energy: 0.5228618831736714
Energy: 0.7895829706652541
Energy: 0.9944498339336728
Energy: 0.7895829706652541

minimum gb energy = 0.449375778250662 eV
minimum distance =  2.28874556698846 Angstroms
sigma value = 113


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

Energy: 0.01859440325439151
Energy: 0.01906152357716839
Energy: 0.787280751384056
Energy: 0.01906152357716839
Energy: 0.7435381974703151
Energy: -0.5127361215631476
Energy: -0.51057988051435
Energy: -0.5127361215622587
Energy: 0.01859440325439151
Energy: 0.01906152357761286
Energy: 0.7872807513836114
Energy: 0.01906152357716839
Energy: 0.7435381974703151
Energy: -0.5127361215618143
Energy: -0.5105798805147946
Energy: -0.5127361215618143
Energy: 0.01859440325439151
Energy: 0.01906152357761286
Energy: 0.7872807513853399
Energy: 0.01906152357716839
Energy: 0.7435381974703151
Energy: -0.5127361215627032
Energy: -0.5105798805147946
Energy: -0.5127361215622587

minimum gb energy = -0.5127361215631476 eV
minimum distance =  2.46747347989424 Angstroms
sigma value = 1