Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850997865200043
cohesive_energy=4.280336213767988
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.84022076883522e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.83746502502474e-19, 6.80889821564052e-19, 6.763764899860739e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10161734056122e-19, 5.82061158072396e-19, 5.45678931067524e-19, 4.98682283862402e-19, 4.37993435143116e-19, 3.5949639313691994e-19, 2.57634809277102e-19, 1.2482109546036478e-19, -4.94732918459592e-20, -2.8004765821012795e-19, -5.88120590102184e-19, -1.0046736975291118e-18, -1.5761124245180878e-18, -2.3739931838968196e-18, -3.51174687699924e-18, -5.174037178306919e-18, -7.670388591742319e-18, -1.1534630349987899e-17, -1.77099798592458e-17, -2.78684205894594e-17, -4.47811573556268e-17, -7.166311779153239e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016254098683506794
Energy: 1.6859701620524776
Energy: 1.8128491951103742
Energy: 0.016974366359786337
Energy: 0.017076815058033778
Energy: 1.8117356658768717
Energy: 0.016450764714897276
Energy: 0.16301859884426984
Energy: 0.18814263303146025
Energy: 0.3542934724301796
Energy: 0.1625599338874277
Energy: 0.35397580381216737
Energy: 0.3542288839747719
Energy: 0.1630023718107543
Energy: 0.16299398984123112
Energy: 0.3536622677296787
Energy: 0.3540243598064368
Energy: 0.16251736993948362
Energy: 0.3533474089349725
Energy: 0.1875022642568459
Energy: 0.16254887283011318
Energy: 0.1632658659185537
Energy: 0.35461429570536085
Energy: 0.18844277561905828
Energy: 0.16364680706793164
Energy: 0.16209381212897056
Energy: 0.18788086999559897
Energy: 0.16235622254646778
Energy: 0.1621789454755625
Energy: 0.18716440628988554
Energy: 0.35390608079657465
Energy: 0.16249567874397514
Energy: 0.35296234114740677
Energy: 0.18672421948247966
Energy: 0.1626567197460777
Energy: 0.016618552403385348
Energy: 0.18698944238363444
Energy: 0.3544231625767668
Energy: 0.017411063790564327
Energy: 0.01772875783956795
Energy: 0.35403737372668403
Energy: 0.1630207131997635

minimum gb energy = 0.016254098683506794 eV
minimum distance =  2.43994524392779 Angstroms
sigma value = 5


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

Energy: 2.870129371265215
Energy: 1.843411077321044
Energy: 1.6054302215306306
Energy: 1.4765613250619656
Energy: 1.5779184916904798
Energy: 1.5157253627414953
Energy: 1.6058682174280432
Energy: 1.3804019615285732
Energy: 1.363956960514872
Energy: 1.4010938886572455
Energy: 1.3583919685071177
Energy: 1.331002254030242
Energy: 1.409878030344888
Energy: 1.3803301018666618
Energy: 1.3139948410098798
Energy: 1.3443079789565004
Energy: 1.3410173708654054
Energy: 1.3390810031568268
Energy: 1.3270554752169759
Energy: 1.3625293604324367
Energy: 1.3245129642886413
Energy: 1.2441054542329892
Energy: 1.2921925005060815
Energy: 1.310638227184534
Energy: 1.2679399840078516
Energy: 1.3066305322883034
Energy: 1.3227988693778474
Energy: 1.2699747024897088
Energy: 1.3335609041411518
Energy: 1.3598640311078078
Energy: 1.375796065890746
Energy: 1.3464383096194181
Energy: 1.3836682458977403
Energy: 1.3596395313590401
Energy: 1.3483286140717399
Energy: 1.353582571254067
Energy: 1.3008420368450309
Energy: 1.3121429225020529
Energy: 1.3238891164652933
Energy: 1.3173008965921116
Energy: 1.2836765682702858
Energy: 1.3315309778995035
Energy: 1.3454842278276347
Energy: 1.3010791125921224
Energy: 1.2652259063928686
Energy: 1.3074356396942761
Energy: 1.2985155778094635
Energy: 1.2684723029595224
Energy: 1.2977978180309135
Energy: 1.337311400833848
Energy: 1.3142045179764605
Energy: 1.3523660252808085
Energy: 1.368641284626448
Energy: 1.3576563027617798
Energy: 1.3556045833455546
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Energy: 1.3696848887711848
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Energy: 1.3934830286094584
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Energy: 1.3480508860135902
Energy: 1.3469740503370946
Energy: 1.3645787122177238
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Energy: 1.2575727321898982
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Energy: 1.326689763989656
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Energy: 1.2863048292025474
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Energy: 1.3195765598446705
Energy: 1.2424398847333933
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Energy: 1.3137801517081908
Energy: 1.2611859115673323
Energy: 1.3770209715261879
Energy: 1.4255597317211466
Energy: 1.3519771041880448
Energy: 1.357865219938862
Energy: 1.3980381082861697
Energy: 1.3852076234902466
Energy: 1.3375334499541451
Energy: 1.398979115764854
Energy: 1.286366076335322
Energy: 1.4926816472383015
Energy: 1.497641982990622
Energy: 1.3095344605103876
Energy: 1.319474050585638
Energy: 1.4302543945760153
Energy: 1.3436482493389017
Energy: 1.4132239960071398
Energy: 1.3246367612962149
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Energy: 1.3621402387442736
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Energy: 1.3137916919423216
Energy: 1.4278866093151186
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Energy: 1.3964542406959028
Energy: 1.426059711521601
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Energy: 1.3696582048692179
Energy: 1.3236404636128052
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Energy: 1.3737892831144503
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Energy: 1.346811558889406
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Energy: 1.3738076113330597
Energy: 1.3484310428661543
Energy: 1.3377929919014904
Energy: 1.3724167044308437
Energy: 1.3765186233062106
Energy: 1.3378181882735487
Energy: 1.3451098925647906
Energy: 1.2836271844902225
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Energy: 1.3481857145073566
Energy: 1.3177552891392055
Energy: 1.293176372009573
Energy: 1.3477819850354527
Energy: 1.3111560281059704
Energy: 1.2592150186311009
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Energy: 1.3045571323458207
Energy: 1.2503194608556432
Energy: 1.25875993773365
Energy: 1.307864412147572
Energy: 1.2619810433913667
Energy: 1.2331416469745315
Energy: 1.2617674983558476
Energy: 1.2604458728608208
Energy: 1.2820894097729776
Energy: 1.2515564102931427
Energy: 1.2564765926985926
Energy: 1.2766784294352371
Energy: 1.3553781164231853
Energy: 1.3894344096630526
Energy: 1.439856422123295
Energy: 1.3684224860306908
Energy: 1.3675951156335633
Energy: 1.4497503832388219
Energy: 1.3746048223769918
Energy: 1.3190397860191512
Energy: 1.3796457703384202
Energy: 1.3227996412281084
Energy: 1.2746788502840722
Energy: 1.373864123280899
Energy: 1.3255754944412064
Energy: 1.2815570062611334
Energy: 1.312467566567723
Energy: 1.3181716080289285
Energy: 1.335896993306113
Energy: 1.322043618929805
Energy: 1.372629897342877
Energy: 1.3224836132801001
Energy: 1.3169064398311627
Energy: 1.3796391651365867
Energy: 1.3625141035570874
Energy: 1.409810595403667
Energy: 1.351750663604797
Energy: 1.3348466055861619
Energy: 1.4073576353115063
Energy: 1.3968511028251176
Energy: 1.2515939283789255
Energy: 1.3821564190650146
Energy: 1.393994790586764
Energy: 1.3173902011675924
Energy: 1.3180029216790137
Energy: 1.3736297624606448
Energy: 1.3617234024916354

minimum gb energy = 1.2072710643859286 eV
minimum distance =  2.30366918691731 Angstroms
sigma value = 401


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

Energy: 2.227459474244424
Energy: 1.814457933034887
Energy: 1.4490551411024675
Energy: 1.6906280715249828
Energy: 2.073608728541445
Energy: 1.6105883256476148
Energy: 1.768130317811521
Energy: 1.4424130079056434
Energy: 1.2888918013776898
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Energy: 1.291063567697061
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Energy: 1.3716103815779166
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Energy: 1.28429887895696
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Energy: 1.3796595061742813
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Energy: 1.3686975366447651
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Energy: 1.416774328728962
Energy: 1.3665799260128186
Energy: 1.4097995830839243
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Energy: 1.455464647254996
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Energy: 1.3983063084975904
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Energy: 1.3227871327152048
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Energy: 1.3380918300777533
Energy: 1.4318266735617857
Energy: 1.2451641185237416
Energy: 1.2733901803856222
Energy: 1.4015702057527912
Energy: 1.3326169901412563
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Energy: 1.3417480447623218
Energy: 1.3869518294191279
Energy: 1.299420416487943
Energy: 1.3133595039668196
Energy: 1.5545612967832168
Energy: 1.3637612195819746
Energy: 1.4440956049264255
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Energy: 1.3267973354020217
Energy: 1.3968538268280075
Energy: 1.35108439414527
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Energy: 1.446964829959814
Energy: 1.4404041151291
Energy: 1.4348065625121431
Energy: 1.464654958604417
Energy: 1.5373339337536023
Energy: 1.5037306903761578
Energy: 1.4397318178946044
Energy: 1.4257665244613813
Energy: 1.4981102893811775
Energy: 1.5000270220244505
Energy: 1.424408250260197
Energy: 1.4782800141419044
Energy: 1.5471707530679861
Energy: 1.4429585485025287
Energy: 1.458447663533996
Energy: 1.4797874569046032
Energy: 1.451473992693897
Energy: 1.4436537002733998
Energy: 1.4429420774826665
Energy: 1.4553599996515567
Energy: 1.3947140840680954
Energy: 1.4354452477276194
Energy: 1.4671955828415555
Energy: 1.373533622606692
Energy: 1.460011745593773
Energy: 1.5038417957081212
Energy: 1.8391771995641861
Energy: 1.459623508946221
Energy: 1.6923528095213438
Energy: 1.7811417578913464
Energy: 1.5695219544123638
Energy: 1.3593401193520012
Energy: 1.6994754708193456
Energy: 1.4953207661379462
Energy: 1.4029487527293953
Energy: 1.473073627212707
Energy: 1.5126468494830896
Energy: 1.4381699121022067
Energy: 1.4379924254803824
Energy: 1.4872078613204387
Energy: 1.5902102212964244
Energy: 1.464137887954283
Energy: 1.4822602490806625
Energy: 1.4833966999913142
Energy: 1.5117527500364376
Energy: 1.4537872673165417
Energy: 1.432472466157151
Energy: 1.4380588328257342
Energy: 1.4349778420217016
Energy: 1.4127627089346113
Energy: 1.6275961360679623
Energy: 1.6387854767125134
Energy: 1.4138468106852913
Energy: 1.4652725457732585
Energy: 1.6118283109724947
Energy: 1.451285234914507
Energy: 1.4570615494287322
Energy: 1.4847516511951333
Energy: 1.4478843129119423
Energy: 1.4734001089585702
Energy: 1.5038475318199405
Energy: 1.4266960922432028
Energy: 1.4116649326936501
Energy: 1.4359674402052665
Energy: 1.411687240735393
Energy: 1.3745794716219162
Energy: 1.4088373815034831
Energy: 1.4471127409223339
Energy: 1.426102964764032
Energy: 1.4168809830507434
Energy: 1.3681773317393269
Energy: 1.4093871935728284
Energy: 1.4195876778067729
Energy: 1.3693718017987284
Energy: 1.380727823470697
Energy: 1.4292375912292756
Energy: 1.4732539860066318
Energy: 1.4107280251455778
Energy: 1.408406977056653
Energy: 1.418867056546276
Energy: 1.4312979873357972
Energy: 1.4369363871362208
Energy: 1.4625342536756105
Energy: 1.5093835088981071
Energy: 1.5276831814104632
Energy: 1.3545538811539228
Energy: 1.3631650199243799
Energy: 1.4403949720102813
Energy: 1.3352368086235638
Energy: 1.4675136408281289
Energy: 1.3012408135104483
Energy: 1.3717952291716424
Energy: 1.32213111809613
Energy: 1.3476100514012193
Energy: 1.3644120487298925
Energy: 1.4742077604793442
Energy: 1.4607196582781896
Energy: 1.3751408441982438
Energy: 1.5936667412609087
Energy: 1.3050908648754862
Energy: 1.2923725091883171
Energy: 1.6975839381373512
Energy: 1.3056974974055149
Energy: 1.3307553955048972
Energy: 1.2990559521759057
Energy: 1.4076999756631239
Energy: 1.2971013221562149
Energy: 1.245795573818662
Energy: 1.496298421014708
Energy: 1.350096479579611

minimum gb energy = 1.2451641185237416 eV
minimum distance =  2.28330782764802 Angstroms
sigma value = 311


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

Energy: 1.5240057320088272
Energy: 1.4818337470333451
Energy: 1.6082927145173052
Energy: 1.60840731982872
Energy: 1.541248813532645
Energy: 1.6235198768582901
Energy: 1.509596251160836
Energy: 1.369787587372886
Energy: 1.3689726917237195
Energy: 1.318385714410962
Energy: 1.3612794189955928
Energy: 1.385793674162367
Energy: 1.3233820397214735
Energy: 1.3114166890831203
Energy: 1.344924785784086
Energy: 1.3434074854465003
Energy: 1.3472074526248765
Energy: 1.3326556271120362
Energy: 1.340702807773377
Energy: 1.3200705027601884
Energy: 1.3360634870594668
Energy: 1.3396207833812654
Energy: 1.3452264593681702
Energy: 1.3497861677034904
Energy: 1.3328730466466467
Energy: 1.3945138388178326
Energy: 1.3513462753597887
Energy: 1.318032959078411
Energy: 1.3632529186443976
Energy: 1.365651986386096
Energy: 1.3381701127976027
Energy: 1.3544412573182576
Energy: 1.3720376618072172
Energy: 1.3741857953326362
Energy: 1.3636102328919177
Energy: 1.4247519308326424
Energy: 1.4226516797256006
Energy: 1.3755141145028873
Energy: 1.4157189350560635
Energy: 1.4139248959760096
Energy: 1.3794016441255363
Energy: 1.4016931464160902
Energy: 1.4283452831172903
Energy: 1.4004328509685358
Energy: 1.3467965172477943
Energy: 1.3740362978916663
Energy: 1.3915639028696394
Energy: 1.3529796325144805
Energy: 1.3603805299247451
Energy: 1.3951750539322552
Energy: 1.3841611900464335
Energy: 1.3645350985645928
Energy: 1.402355441210076
Energy: 1.3572704882204532
Energy: 1.3407091894440049
Energy: 1.3197633886665137
Energy: 1.4344678173815382
Energy: 1.3226489407995528
Energy: 1.355196013665315
Energy: 1.4560249138449668
Energy: 1.4210336582258976
Energy: 1.435401920631671
Energy: 1.452973955748973
Energy: 1.4750082015834987
Energy: 1.3098093982564416
Energy: 1.3929723010705137
Energy: 1.3603624910742584
Energy: 1.4329010055490219
Energy: 1.4087090577420731
Energy: 1.4847129942036081
Energy: 1.4090322692121762
Energy: 1.3432072940692596
Energy: 1.3701808378923408
Energy: 1.3472735886146265
Energy: 1.3818457202235497
Energy: 1.341771027051217
Energy: 1.3550837809974507
Energy: 1.3603125454174028
Energy: 1.4795492225569131
Energy: 1.4159315087039588
Energy: 1.3620024168052418
Energy: 1.3887686448088605
Energy: 1.4093556110879393
Energy: 1.4168918747791392
Energy: 1.3410250036886684
Energy: 1.418164108601162
Energy: 1.4686427217614095
Energy: 1.3953234128456824
Energy: 1.3954979026938104
Energy: 1.4696763774929973
Energy: 1.3906852818089777
Energy: 1.3336891807679072
Energy: 1.369531730227301
Energy: 1.3326448057907339
Energy: 1.3074314359630717
Energy: 1.3371552332723007
Energy: 1.3347104300515913
Energy: 1.2770987969701988
Energy: 1.3244233395377343
Energy: 1.3248803345579927
Energy: 1.3327846782044175
Energy: 1.3371080145342955
Energy: 1.3216411619688897
Energy: 1.340818236411843
Energy: 1.375193587121219
Energy: 1.3648837382371568
Energy: 1.3361216583668039
Energy: 1.3507018180969959
Energy: 1.3592631876051693
Energy: 1.3382819296987327
Energy: 1.404465269350339
Energy: 1.365280529978865
Energy: 1.3549067567554984
Energy: 1.3165949543817332
Energy: 1.3477035953537735
Energy: 1.3270706457388268
Energy: 1.3293587477985487
Energy: 1.3351843255405844
Energy: 1.3201680072894313
Energy: 1.3712164763087067
Energy: 1.4197028385816242
Energy: 1.4173299635196415
Energy: 1.3757668192445942
Energy: 1.4212466063462177
Energy: 1.4141560731944474
Energy: 1.396003259278277
Energy: 1.334551105295833
Energy: 1.3699894487873936
Energy: 1.3913082781687482
Energy: 1.3623312676331107
Energy: 1.3731216550733867
Energy: 1.4012611285185697
Energy: 1.3336256439511804
Energy: 1.3551715719749995
Energy: 1.3111370503318387
Energy: 1.4072452100776622
Energy: 1.330176799969217
Energy: 1.3682493960189717
Energy: 1.3717233966368985
Energy: 1.364625802831044
Energy: 1.4701714010883375
Energy: 1.3764749609823996
Energy: 1.3048504949064323
Energy: 1.466155076804779
Energy: 1.4555814568750622
Energy: 1.4588813896342787
Energy: 1.4016129381944762
Energy: 1.432601163648819
Energy: 1.3802184729756313
Energy: 1.3504796141013284
Energy: 1.4633177568049425
Energy: 1.470798526330525
Energy: 1.4486487058612516
Energy: 1.4572998441241747
Energy: 1.4226278450383671
Energy: 1.3713333975225397
Energy: 1.41572396452798
Energy: 1.3784899295268553
Energy: 1.349231892168599
Energy: 1.3876364916009898
Energy: 1.349678449235915
Energy: 1.4281555517407165
Energy: 1.3521049348265106
Energy: 1.4074790505121604
Energy: 1.4150590390468054
Energy: 1.3846639620188805
Energy: 1.3851747490053516
Energy: 1.4520977462254279
Energy: 1.4085457155492231
Energy: 1.3532180816225619
Energy: 1.396195929413695
Energy: 1.469122146390961
Energy: 1.3949353056424545
Energy: 1.3954261910001848
Energy: 1.4479670505338187
Energy: 1.3511632415583847
Energy: 1.306302610164655
Energy: 1.3127064204690735
Energy: 1.339515197891331
Energy: 1.3095600801476035
Energy: 1.3540488912635933
Energy: 1.3444396446423152
Energy: 1.3731263111298913
Energy: 1.345319622960975
Energy: 1.3211994900286357
Energy: 1.358588119038062
Energy: 1.3807134960800116
Energy: 1.3605217535784544
Energy: 1.3756886748547297
Energy: 1.345177938293522
Energy: 1.3689814860496525
Energy: 1.363093589513538
Energy: 1.3622977522053772
Energy: 1.3786868658848475
Energy: 1.3357260756863256
Energy: 1.4065947026702565
Energy: 1.3832394944079232
Energy: 1.3796956458037777
Energy: 1.388232451331391
Energy: 1.3643703698893674
Energy: 1.3566967242398118
Energy: 1.3810992710288117
Energy: 1.349054137403415
Energy: 1.3851135158743533
Energy: 1.3536143706647557
Energy: 1.417381415119176
Energy: 1.4035431408871015
Energy: 1.3730654665876532
Energy: 1.3986220793816004
Energy: 1.4304416333724532
Energy: 1.3334563094648353
Energy: 1.3399694456317164
Energy: 1.3884622335698065
Energy: 1.3893153069111273
Energy: 1.3334494429068082
Energy: 1.3369544622774159
Energy: 1.3777799137870426
Energy: 1.3118139862721303
Energy: 1.2664096428122018
Energy: 1.3506558523494294
Energy: 1.3724946122589086
Energy: 1.3418644964017459
Energy: 1.3516135517263876
Energy: 1.3708118960498672
Energy: 1.4516076084614917
Energy: 1.4075448416854046
Energy: 1.4548857251014264
Energy: 1.4507291246697331
Energy: 1.4025182546075599
Energy: 1.5217665511020075
Energy: 1.5159940344891625
Energy: 1.336996819475707
Energy: 1.319796075803833
Energy: 1.353595482658483
Energy: 1.3504094848514725
Energy: 1.3491099573432546
Energy: 1.4285895730443254
Energy: 1.343629840410719
Energy: 1.382699295537511
Energy: 1.3857568998588135
Energy: 1.3713186749789044
Energy: 1.4081004362252287
Energy: 1.3805153386998488
Energy: 1.3544985694088951
Energy: 1.3889574524215824
Energy: 1.4088314949606424
Energy: 1.4288704823665832
Energy: 1.3859010987512979
Energy: 1.3873355789054096
Energy: 1.4173991423598267
Energy: 1.390578742237354
Energy: 1.389272756383822

minimum gb energy = 1.2664096428122018 eV
minimum distance =  2.30117259881694 Angstroms
sigma value = 39


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

Energy: 1.5576791508916148
Energy: 1.575347683470281
Energy: 1.6037856205643968
Energy: 1.5482897210322537
Energy: 1.5487464082399385
Energy: 1.5858492317958828
Energy: 1.548300574315655
Energy: 1.3952901232833164
Energy: 1.2661433065372674
Energy: 1.2553357669186793
Energy: 1.4005702029029452
Energy: 1.3372856965136533
Energy: 1.2547978649929574
Energy: 1.3926777177582195
Energy: 1.4419169589204954
Energy: 1.2748628963458872
Energy: 1.3303284878480093
Energy: 1.4070548225636912
Energy: 1.3155206282091036
Energy: 1.325568749269982
Energy: 1.416801580316078
Energy: 1.4002860805470456
Energy: 1.240152927248644
Energy: 1.3919383510906895
Energy: 1.449318470699538
Energy: 1.2649759545774963
Energy: 1.2161742697993547
Energy: 1.4418540358739846
Energy: 1.2086005581417238
Energy: 1.1998451859951031
Energy: 1.2642835633160365
Energy: 1.337729849601792
Energy: 1.2030053162434398
Energy: 1.284075158187337
Energy: 1.277593675576086
Energy: 1.3157120128455737
Energy: 1.205902241314711
Energy: 1.2510452920820194
Energy: 1.378110793678965
Energy: 1.2044171577114755
Energy: 1.2633463003896241
Energy: 1.3154606349116842
Energy: 1.3960981587809056
Energy: 1.2721367559590344
Energy: 1.249363304572541
Energy: 1.4137318986242016
Energy: 1.2902133411549672
Energy: 1.2436998643332144
Energy: 1.359857977210153
Energy: 1.3100707445812068
Energy: 1.2776449917083572
Energy: 1.3233771478196146
Energy: 1.3144345360219707
Energy: 1.278846126567264
Energy: 1.3239337521633008
Energy: 1.4036663416141009
Energy: 1.3084312435521737
Energy: 1.3087388954198655
Energy: 1.3090577147456228
Energy: 1.3148276812838808
Energy: 1.3086172686230684
Energy: 1.309256415389512
Energy: 1.3745461762436852
Energy: 1.4284538299696792
Energy: 1.3349277894214744
Energy: 1.489272515427788
Energy: 1.4722252445620405
Energy: 1.4298910212902356
Energy: 1.4494555980093817
Energy: 1.4894916320115723
Energy: 1.3125268887306103
Energy: 1.3379184357215295
Energy: 1.2964542585294008
Energy: 1.4065692259414035
Energy: 1.3370208497477303
Energy: 1.2983672744683845
Energy: 1.4186317936585686
Energy: 1.4155790069955938
Energy: 1.262873605492764
Energy: 1.3252761816051193
Energy: 1.405792434946287
Energy: 1.2972915314735267
Energy: 1.3261572578875236
Energy: 1.4081830294164535
Energy: 1.4493281252226038
Energy: 1.374215538860085
Energy: 1.4994019923414095
Energy: 1.4872076876686615
Energy: 1.3822879435195987
Energy: 1.276499826737493
Energy: 1.564574352900392
Energy: 1.409304712425189
Energy: 1.3154913360803426
Energy: 1.3275494062410815
Energy: 1.4071268883204022
Energy: 1.3546422098058473
Energy: 1.3767525090096144
Energy: 1.408988856675703
Energy: 1.3275925875934333
Energy: 1.3391775471414609
Energy: 1.47889817934251
Energy: 1.419463794216609
Energy: 1.3350841655793368
Energy: 1.479206876761589
Energy: 1.4181658713738332
Energy: 1.5197313595726418
Energy: 1.4609531456855733
Energy: 1.471382734791241
Energy: 1.548073253392399
Energy: 1.5489950686805836
Energy: 1.4947379432710106
Energy: 1.5257212756001468
Energy: 1.4097912194078828
Energy: 1.2662550234794299
Energy: 1.2568843532888678
Energy: 1.4010126398671046
Energy: 1.3371903085006358
Energy: 1.2546870519312017
Energy: 1.3925613459034702
Energy: 1.4422424555525137
Energy: 1.2753916581413616
Energy: 1.3299405085054978
Energy: 1.450083791892771
Energy: 1.3155488771733106
Energy: 1.3254578637885335
Energy: 1.4169817706195027
Energy: 1.3970360211551727
Energy: 1.2413972107774016
Energy: 1.4051368368812993
Energy: 1.449623488268332
Energy: 1.2627997401460462
Energy: 1.2250006365415722
Energy: 1.441941548404363
Energy: 1.2094332010256568
Energy: 1.2005796622288083
Energy: 1.2614170556587023
Energy: 1.260608475902676
Energy: 1.2006725276524044
Energy: 1.2845702166285984
Energy: 1.261217017668465
Energy: 1.3151633412817312
Energy: 1.2062915225758322
Energy: 1.2513323899857005
Energy: 1.3782190169311035
Energy: 1.2085039779335018
Energy: 1.2632186205214273
Energy: 1.3153761765056113
Energy: 1.3960201102464787
Energy: 1.2725534826502223
Energy: 1.250258628378545
Energy: 1.3991308511219989
Energy: 1.290359436089784
Energy: 1.2432492587744386
Energy: 1.3600747712029944
Energy: 1.3099251503568694
Energy: 1.2780442585255936
Energy: 1.3236720855902984
Energy: 1.317440574986811
Energy: 1.278648047482467
Energy: 1.3241763787261405
Energy: 1.403848114527258
Energy: 1.308339640042568
Energy: 1.308261600619822
Energy: 1.308965598052988
Energy: 1.3601391058101229
Energy: 1.309303397199198
Energy: 1.309703337591076
Energy: 1.3746376728098393
Energy: 1.4283273494351254
Energy: 1.3354329990821954
Energy: 1.4923475327893838
Energy: 1.4716369318787184
Energy: 1.4332187796490923
Energy: 1.4497032642435783
Energy: 1.405023201932441
Energy: 1.3123222211653476
Energy: 1.3362820988861626
Energy: 1.2963755376278394
Energy: 1.4153216566426652
Energy: 1.3369727422847824
Energy: 1.2987188215051733
Energy: 1.4201099530688135
Energy: 1.3962901089528843
Energy: 1.3276839055349303
Energy: 1.325684721076114
Energy: 1.4062151104876301
Energy: 1.296934911101687
Energy: 1.3260738888689358
Energy: 1.4861159293474677
Energy: 1.4508953639524054
Energy: 1.3744329715099626
Energy: 1.4997809915186942
Energy: 1.4872579280471003
Energy: 1.38173366132128
Energy: 1.2768406746222034
Energy: 1.4865090638157064
Energy: 1.4153876706449933
Energy: 1.3567415586350793
Energy: 1.3277495875842198
Energy: 1.4072215424238395
Energy: 1.3545924869629404
Energy: 1.3766354996901216
Energy: 1.4075743799301357
Energy: 1.327553025461095
Energy: 1.339169284439463
Energy: 1.4789201348719139
Energy: 1.4196199986486604
Energy: 1.3349022299037439
Energy: 1.4790380473768596
Energy: 1.4182673508059145

minimum gb energy = 1.1998451859951031 eV
minimum distance =  2.28739512836942 Angstroms
sigma value = 21


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

Energy: 1.7788794643507946
Energy: 1.2230750463256483
Energy: 1.2041844640683312
Energy: 1.3007116131269605
Energy: 1.1891426834297945
Energy: 1.2999559626057058
Energy: 1.189176759161106
Energy: 1.343208503968557
Energy: 1.2331696766486095
Energy: 1.1812139845284395
Energy: 1.3437824958070865
Energy: 1.2815650379206422
Energy: 1.1806973374844811
Energy: 1.2947142286979159
Energy: 1.36271866841762
Energy: 1.216461622780816
Energy: 1.2304148691197314
Energy: 1.2196725103628792
Energy: 1.1816408531260914
Energy: 1.1810981726400507
Energy: 1.257824833311897
Energy: 1.337766145533611
Energy: 1.2043637276283314
Energy: 1.1174940202722043
Energy: 1.293068647932881
Energy: 1.2010118632895865
Energy: 1.1172270698266533
Energy: 1.2537981662048374
Energy: 1.116314478449163
Energy: 1.2033099883405372
Energy: 1.2286240968891087
Energy: 1.2045321070428696
Energy: 1.184196183094853
Energy: 1.1169782450845067
Energy: 1.2573707192697716
Energy: 1.1679086063399815
Energy: 1.1439941457787357
Energy: 1.1869227832497677
Energy: 1.2385629187394507
Energy: 1.1426672535621893
Energy: 1.1848078381283536
Energy: 1.213962399259841
Energy: 1.134185061059837
Energy: 1.1305550903792594
Energy: 1.1061704432384052
Energy: 1.1904392689940493
Energy: 1.1299089357494763
Energy: 1.1785375530065443
Energy: 1.170048756556563
Energy: 1.1447050534846732
Energy: 1.1122713212863147
Energy: 1.201492173433679
Energy: 1.147619403584696
Energy: 1.1116323091398232
Energy: 1.224818401584545
Energy: 1.113949730644883
Energy: 1.1415418990008521
Energy: 1.1393434211474582
Energy: 1.1999078171726554
Energy: 1.1223787925959883
Energy: 1.114061332897215
Energy: 1.1834755841478373
Energy: 1.1231221721983249
Energy: 1.1160083621487102
Energy: 1.0873398192458725
Energy: 1.18832990133895
Energy: 1.1061603146163934
Energy: 1.0982644429409594
Energy: 1.1876808669002994
Energy: 1.1113056019567356
Energy: 1.1446036973439278
Energy: 1.155300674790813
Energy: 1.1642087061922415
Energy: 1.1352593108344675
Energy: 1.1552886985281494
Energy: 1.2358072062963794
Energy: 1.135687115143648
Energy: 1.1307274450907605
Energy: 1.1507441765055135
Energy: 1.1627785983490802
Energy: 1.128119309488408
Energy: 1.1505047536272273
Energy: 1.1552556546877364
Energy: 1.1271469480999994
Energy: 1.106790583420661
Energy: 1.1172305197967127
Energy: 1.1023261823627384
Energy: 1.1549195916152817
Energy: 1.2389023159618338
Energy: 1.1118060465636463
Energy: 1.1548425013280215
Energy: 1.1609353258422506
Energy: 1.1935229588378753
Energy: 1.118878800689297
Energy: 1.121629941454384
Energy: 1.1857219039046116
Energy: 1.1204779300198628
Energy: 1.106935433839221
Energy: 1.1263075259689095
Energy: 1.2169597846867233
Energy: 1.1120079260154143
Energy: 1.123882994651223
Energy: 1.2137996876733927
Energy: 1.1123420344675277
Energy: 1.141933527768552
Energy: 1.2264641080155505
Energy: 1.1636222245441943
Energy: 1.2163138720436948
Energy: 1.144780197535855
Energy: 1.170499524655215
Energy: 1.2164498068657246
Energy: 1.1790851966745206
Energy: 1.2324506798159351
Energy: 1.1831345138878986
Energy: 1.1321496786537992
Energy: 1.146581656634657
Energy: 1.1749457931706857
Energy: 1.1318460161871098
Energy: 1.1615734419591284
Energy: 1.2393142684468308
Energy: 1.1807113803756975
Energy: 1.1769534955873475
Energy: 1.1836354421664872
Energy: 1.2304409118497661
Energy: 1.1420740475469426
Energy: 1.1841309390335337
Energy: 1.2495807234016945
Energy: 1.1177075361146744
Energy: 1.2017985716538622
Energy: 1.2143581787417534
Energy: 1.1174139146784965
Energy: 1.187862333780326
Energy: 1.1608532526353907
Energy: 1.2487926086999979
Energy: 1.229175029504235
Energy: 1.1815458045241638
Energy: 1.2534419060530617
Energy: 1.2261147789665705
Energy: 1.182594843115411
Energy: 1.253338810657354
Energy: 1.235449334218969
Energy: 1.1819986415972836
Energy: 1.1818285587167014
Energy: 1.2646529232311066
Energy: 1.1814723253598314
Energy: 1.2164082870183044
Energy: 1.2652892813934558
Energy: 1.2444372318590409
Energy: 1.1998124247908672
Energy: 1.3330756266838713
Energy: 1.3318329904725326
Energy: 1.2009346176993112
Energy: 1.224592083303012
Energy: 1.3317548589150392
Energy: 1.3619333064742278
Energy: 1.2038245008446826
Energy: 1.3316385223927982
Energy: 1.33178070676817
Energy: 1.2013962687083537
Energy: 1.1559383966662689
Energy: 1.3314453785414608
Energy: 1.3579196299196234
Energy: 1.233175539377068
Energy: 1.1819396335737216
Energy: 1.264184073469292
Energy: 1.1813174952285543
Energy: 1.2155996437560312
Energy: 1.3023695926798897
Energy: 1.332906459011588
Energy: 1.283020991261281
Energy: 1.1991499190243309
Energy: 1.3312262046273935
Energy: 1.3313653455998913
Energy: 1.1883150686635582
Energy: 1.340251985692986

minimum gb energy = 1.0873398192458725 eV
minimum distance =  2.30066405264939 Angstroms
sigma value = 113


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

Energy: 1.774480641068621
Energy: 1.0930959407191205
Energy: 1.1029826572506722
Energy: 1.1770072508851297
Energy: 1.1078854771107254
Energy: 1.0705173303723903
Energy: 1.061265443971263
Energy: 1.144693199923778
Energy: 1.0688674787632333
Energy: 1.0619222766636733
Energy: 1.0657929650072675
Energy: 1.0975205756342776
Energy: 1.059842548911258
Energy: 1.0929113969431867
Energy: 1.1262754711804923
Energy: 1.0596960473641943
Energy: 1.072223664269103
Energy: 1.0872551545427105
Energy: 1.0516046851748415
Energy: 1.0718210266051111
Energy: 1.0766859043424135
Energy: 0.9982131953438059
Energy: 1.0513543378020322
Energy: 1.0313980131318485
Energy: 0.9893903167942318
Energy: 1.0215190808872672
Energy: 1.031321445611689
Energy: 1.1160123997006803
Energy: 0.9977968700977357
Energy: 1.0289531727957557
Energy: 1.057725835187625
Energy: 1.0170305462614393
Energy: 1.0361300620256144
Energy: 1.0371831276576065
Energy: 1.0737419967833404
Energy: 1.0594418873463416
Energy: 1.040666417465362
Energy: 1.043437862025398
Energy: 1.0158305530696448
Energy: 1.0570957415057864
Energy: 1.0294439671237
Energy: 1.0379326743305646
Energy: 1.0549187467399068
Energy: 1.1429873401362847
Energy: 1.0157403084172658
Energy: 1.0162487675982612
Energy: 1.0278700791636537
Energy: 1.0390415698886806
Energy: 1.033797479362835
Energy: 1.0613761077046273
Energy: 0.97644097706136
Energy: 1.0498783688770499
Energy: 1.0038078466838205
Energy: 1.0089895530511315
Energy: 1.0358123685235434
Energy: 0.9814225253695766
Energy: 1.0224798951162122
Energy: 1.0163772994692282
Energy: 1.057250729454024
Energy: 1.022621694691401
Energy: 1.0061600597460691
Energy: 1.0237245404860649
Energy: 1.0369730391459382
Energy: 0.9854090254432174
Energy: 0.9903392372840024
Energy: 1.0364949974873399
Energy: 0.992892683132912
Energy: 0.9831783361820385
Energy: 1.0367880833155563
Energy: 0.9926943827611303
Energy: 0.9958548630207544
Energy: 1.0303691897399347
Energy: 1.0012291480513669
Energy: 0.9913890858096156
Energy: 0.9911493454867268
Energy: 1.001462406460934
Energy: 0.9988136768001943
Energy: 0.9813372819519485
Energy: 1.014177249483788
Energy: 0.9606736695330902
Energy: 0.9870985787164585
Energy: 1.0108370586004873
Energy: 0.9752391463034911
Energy: 0.9886360128276949
Energy: 0.9769198170916419
Energy: 1.00983603850866
Energy: 0.942897032427451
Energy: 0.9750918773258473
Energy: 1.0130052567834025
Energy: 0.930516552648666
Energy: 0.9709444913488642
Energy: 0.9771189295001856
Energy: 0.9483854726176463
Energy: 0.9277667027185281
Energy: 0.9670915248658336
Energy: 1.032562294299908
Energy: 0.9138193334437635
Energy: 0.9572593945382382
Energy: 0.9834779211631505
Energy: 0.9916282205498305
Energy: 0.9481375772175624
Energy: 0.9727904839341612
Energy: 0.9722912747907254
Energy: 0.9527156251485724
Energy: 0.9764103995689677
Energy: 0.9542113866263247
Energy: 0.9358253420203062
Energy: 0.9763253255485106
Energy: 1.0074463190915532
Energy: 0.9347909272575773
Energy: 0.95636681340516
Energy: 0.9651236205365354
Energy: 0.9483453817014821
Energy: 0.9393990769833608
Energy: 0.9535453597170541
Energy: 0.9628552371487143
Energy: 0.9378920871939618
Energy: 0.9550067907114344
Energy: 0.9686554931908757
Energy: 0.965396620431258
Energy: 0.9377686327489937
Energy: 0.9810950450409688
Energy: 0.9636897473665997
Energy: 0.9333332043783963
Energy: 0.9941937244224655
Energy: 0.9638375012934761
Energy: 0.9838310289546944
Energy: 0.9283175754021189
Energy: 0.984489361433274
Energy: 0.9663587337233314
Energy: 0.9421560865135233
Energy: 0.9821966388669645
Energy: 0.9693391100566197
Energy: 0.9170370556861066
Energy: 0.9124347975647829
Energy: 0.9787666360836982
Energy: 0.9404462716911475
Energy: 0.9091807617721389
Energy: 0.9780154205836781
Energy: 0.9436689312735107
Energy: 0.9801157619487317
Energy: 0.955114606975426
Energy: 0.969067661701506
Energy: 0.9518780067245111
Energy: 0.9487350542111739
Energy: 0.9713811092711838
Energy: 0.9526314208103079
Energy: 0.9593425680988766
Energy: 0.972640205268577
Energy: 0.9486149048543273
Energy: 0.94754932830617
Energy: 0.968800532492502
Energy: 0.9337010610393125
Energy: 0.9456411961135965
Energy: 0.9460133645918049
Energy: 0.9815004260419522
Energy: 0.9046250639713938
Energy: 0.9408791543392697
Energy: 0.9762639341468466
Energy: 0.9088944526655178
Energy: 0.9419918060811879
Energy: 0.9590039074085903
Energy: 0.9806042768074987
Energy: 0.9417695497894274
Energy: 0.9669525315262963
Energy: 0.9823631575147027
Energy: 0.9265526778329873
Energy: 0.96288851001234
Energy: 1.0035295243482198
Energy: 0.9909302711773453
Energy: 0.9346109706791297
Energy: 0.961888808680944
Energy: 0.9844982522983053
Energy: 0.935337994563188
Energy: 0.964526882476588
Energy: 0.955210151708383
Energy: 0.9439583975162287
Energy: 0.9393962655718826
Energy: 0.9685173835975246
Energy: 0.9526972179655946
Energy: 0.9385349522675102
Energy: 0.9526123142656145
Energy: 0.9571235194124806
Energy: 0.9893244932193038
Energy: 0.936165270762242
Energy: 1.0072785548590586
Energy: 0.9552808602901192
Energy: 0.9301596122928281
Energy: 1.0049486075509384
Energy: 0.983155764339898
Energy: 0.9552009230337412
Energy: 0.9616954273997165
Energy: 0.977450088709969
Energy: 0.9487456059968332
Energy: 0.9734002759810682
Energy: 0.9748418618458256
Energy: 0.9522795741440261
Energy: 0.9315245577163092
Energy: 1.0324270547011558
Energy: 0.9691688908635635
Energy: 0.9277003710622878
Energy: 1.0316162122643222
Energy: 0.972551228415726
Energy: 0.9758684896494975
Energy: 0.9359829379343862
Energy: 1.0324983168867115
Energy: 0.9749149820555275
Energy: 0.9309632596352556
Energy: 1.038687368989616
Energy: 0.97858766758857
Energy: 1.0161336149785978
Energy: 0.9717338160886071
Energy: 1.005388435039836
Energy: 0.9882746932971792
Energy: 0.9739187879947038
Energy: 1.0087513098076533
Energy: 0.9833883975370515
Energy: 1.009190081221676
Energy: 0.9966053333742633
Energy: 0.9915805626523699
Energy: 0.9992789690161911
Energy: 0.9841424721086321
Energy: 1.0021348728382526
Energy: 0.990890883657593
Energy: 1.0049781523067876
Energy: 1.0242086101990397
Energy: 0.9816091507270666
Energy: 1.0188349679240285
Energy: 1.0363188144743296
Energy: 0.982334674984775
Energy: 1.0055856770164835
Energy: 1.024082506966496
Energy: 1.0310533078480333
Energy: 1.0016346357122734
Energy: 1.0249600295006929
Energy: 1.023803966915436
Energy: 1.0042019481556805
Energy: 1.0042434383488563
Energy: 1.036695668918132
Energy: 1.064612140198566
Energy: 1.0170943836608122
Energy: 0.9976190476969545
Energy: 1.026552921134971
Energy: 1.0170187808519058
Energy: 1.0367003520670472
Energy: 1.0049777252100336
Energy: 1.0507880787405592
Energy: 1.0266634140230932
Energy: 0.9851379994541447
Energy: 1.0472832422017564
Energy: 1.026605662797128
Energy: 1.0365291751911738
Energy: 1.1144594272615276
Energy: 1.0444434170914658
Energy: 1.0400778978364098
Energy: 1.0412585102958467
Energy: 1.0454340334114118
Energy: 1.025603201488899
Energy: 1.037422803963757
Energy: 1.1444547524798916
Energy: 1.0314808953383923
Energy: 1.034994318940177
Energy: 1.0601618601995073
Energy: 1.0337264708196763
Energy: 1.0293386592880054
Energy: 1.0397515542901872
Energy: 1.1210107642511469
Energy: 1.155868662260839
Energy: 0.9970403981842706
Energy: 1.064772811020303
Energy: 1.031078914820849
Energy: 1.0107277915412047
Energy: 1.1613818685523543
Energy: 1.1435246733914817
Energy: 1.0718096910962656
Energy: 1.053186936307374
Energy: 1.067240666474229
Energy: 1.0711805429542673
Energy: 1.0597302569176321
Energy: 1.0887750425128526
Energy: 1.1412398208984915
Energy: 1.0795467477045744
Energy: 1.1220723390357976
Energy: 1.099549423231813
Energy: 1.0613820747603226
Energy: 1.0822544185044725
Energy: 1.1418416724104719
Energy: 1.2109080388776645
Energy: 1.1101119012612144
Energy: 1.0785712921075383
Energy: 0.9894432843690114
Energy: 1.0215635085385517
Energy: 1.0706070865698223
Energy: 1.1629427363840534
Energy: 1.1767781158474502
Energy: 1.071891172116354
Energy: 1.1320746305254097
Energy: 1.1112843276222317
Energy: 1.0702976152366228
Energy: 1.0983043909184258
Energy: 1.0930485380660904
Energy: 1.140654240461717
Energy: 1.0988566949756005
Energy: 1.0708072424966828
Energy: 1.0668334627833331
Energy: 1.1295310457423455
Energy: 1.0710458683986108
Energy: 1.14412532492405
Energy: 1.1643495080324906
Energy: 1.0293964794016093
Energy: 1.0191355431315645
Energy: 1.0782312165145074
Energy: 1.0961017093718648
Energy: 1.0196834573274485
Energy: 0.990249047895369

minimum gb energy = 0.9046250639713938 eV
minimum distance =  2.30513150331364 Angstroms
sigma value = 365


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

Energy: 1.144736075327269
Energy: 1.0818264094334127
Energy: 1.2072155656857888
Energy: 1.2052617173126525
Energy: 1.2048784429464852
Energy: 1.2061930619127612
Energy: 1.23677627972848
Energy: 0.3505802832077707
Energy: 0.3380148180909644
Energy: 0.33775377459443506
Energy: 0.33737926820694475
Energy: 0.33736356681041
Energy: 0.33763962700297345
Energy: 0.33786796391646307
Energy: 0.35050542587281536
Energy: 0.3381897308170385
Energy: 0.3377919544737336
Energy: 0.33767553665236427
Energy: 0.33754741430036106
Energy: 0.33747744558303006
Energy: 0.3377634149090422
Energy: 1.1723107347880024
Energy: 1.1694250753169506
Energy: 1.2381683874913045
Energy: 1.2383861300190961
Energy: 1.237880408846697
Energy: 1.235659362802715
Energy: 1.2361546030336596
Energy: 1.168214513723018
Energy: 1.1684723508951786
Energy: 1.1686177274128347
Energy: 1.1584047446577281
Energy: 1.2364810442761378
Energy: 1.1683515485275322
Energy: 1.170037769230079
Energy: 0.35085947256935873
Energy: 0.33816609729952696
Energy: 0.33795751192443524
Energy: 0.33765538726460864
Energy: 0.3377522681484826
Energy: 0.33769017072754287
Energy: 0.3378624999087696
Energy: 1.1727626182956024
Energy: 1.1720732508605556
Energy: 1.235646408393435
Energy: 1.2360991367034744
Energy: 1.2357412961477583
Energy: 1.2396806632039759
Energy: 1.1698218121639252
Energy: 1.1724219073259345
Energy: 1.1704546691206204
Energy: 1.2368055126596842
Energy: 1.2360639555770532
Energy: 1.2377624444179864
Energy: 1.2362946934815864
Energy: 1.1724394150436064
Energy: 0.3507354329069636
Energy: 0.3378885054668019
Energy: 0.33776268040081725
Energy: 0.3377358001362257
Energy: 0.33771924522940605
Energy: 0.3379445576650032
Energy: 0.33798926465127854
Energy: 1.1684640545191214
Energy: 1.1694324824583284
Energy: 1.1687393913910853
Energy: 1.1574402711894962
Energy: 1.158867784893945
Energy: 1.1576699187644113
Energy: 1.1679630356797404
Energy: 1.1736080498134378
Energy: 1.1693806511061338
Energy: 1.2386800021090396
Energy: 1.238854451622051
Energy: 1.2390102794151507
Energy: 1.238246036044804
Energy: 1.2382454705008066
Energy: 0.3504868531881484
Energy: 0.33793126172431515
Energy: 0.3376820909617873
Energy: 0.3374228358445996
Energy: 0.33748016619366605
Energy: 0.33769352004717873
Energy: 0.33810226439303503
Energy: 0.35033625162632565
Energy: 0.3381760902983334
Energy: 0.33773442215858207
Energy: 0.3374306796307409
Energy: 0.3373325207412017
Energy: 0.3375626384737894
Energy: 0.33786131629513483
Energy: 1.1702547206506448
Energy: 1.1684681119807954
Energy: 1.2367701262871085
Energy: 1.2368794465245905
Energy: 1.2389529130501016
Energy: 1.2369855365478373
Energy: 1.2381754132476896
Energy: 1.169658697612517
Energy: 1.1690317569560853
Energy: 1.1582700138655144
Energy: 0.33723156877700045
Energy: 0.3373396201649386
Energy: 0.33760057619196865
Energy: 1.1686435941175197
Energy: 0.3505791604500696
Energy: 0.33813005766023946
Energy: 0.3378131555222561
Energy: 0.33759357864737766
Energy: 0.3376401399249626
Energy: 0.33750419183081887
Energy: 0.33785306119550484
Energy: 1.1725750309704126
Energy: 1.1697849034618049
Energy: 1.236110210836269
Energy: 1.2361221685309387
Energy: 1.2362202044066184
Energy: 1.2361972926021556
Energy: 1.2354245707491143
Energy: 1.1687074582568762
Energy: 1.1685568110955105
Energy: 1.1684563167017548
Energy: 1.2410649250829466
Energy: 1.2378960215019
Energy: 1.1706685512640143
Energy: 1.170046459549332
Energy: 0.3507831785868261
Energy: 0.33809676345643264
Energy: 0.33790002693717525
Energy: 0.33763736004851364
Energy: 0.3375706590770991
Energy: 0.3377722590998984
Energy: 0.3377990985410926
Energy: 1.1731211243289472
Energy: 1.1724661985768599
Energy: 1.1695141627635925
Energy: 1.2362725582922514
Energy: 1.236244847704509
Energy: 1.2393811157134869
Energy: 1.1680336480430382

minimum gb energy = 0.33723156877700045 eV
minimum distance =  2.36729457789789 Angstroms
sigma value = 23