Model name: model_name=Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391734480858
cohesive_energy=4.450349978305024
mass=58.6934
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: 0.018146484029306284
Energy: 0.01837533880910268
Energy: 1.658258832016856
Energy: 0.01837533880910268
Energy: 0.01837533880910268
Energy: 1.451779828080526
Energy: 0.01837533880910268
Energy: 1.451779828079865
Energy: 1.6582588320161953
Energy: 0.01837533880910268
Energy: 0.018146484029306284
Energy: 0.01837533880910268
Energy: 0.01837533880910268
Energy: 1.451779828080526
Energy: 0.01837533880910268
Energy: 1.451779828080526

minimum gb energy = 0.018146484029306284 eV
minimum distance =  2.41577134722492 Angstroms
sigma value = 1


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

Energy: 1.4473537459138222
Energy: 1.4536161647685248
Energy: 1.3710657214361708
Energy: 1.4536161647685248
Energy: 1.415730162579236
Energy: 1.4601418141752263
Energy: 1.4185759413975654
Energy: 1.4601418141752263
Energy: 1.3579790675088212
Energy: 1.4369840385674313
Energy: 1.390099675232076
Energy: 1.4369840385682329
Energy: 1.3962199062061034
Energy: 1.4534156717793838
Energy: 1.3733496710133395
Energy: 1.4534156717801854
Energy: 1.3803854442929557
Energy: 1.4598817088993508
Energy: 1.4006706389655514
Energy: 1.4598817088993508
Energy: 1.3573460915461266
Energy: 1.6531953203197312
Energy: 1.3422726538164003
Energy: 1.6531953203197312
Energy: 1.4199619393579752
Energy: 1.4360246547815207
Energy: 1.3588812272698156
Energy: 1.4360246547815207
Energy: 1.2745470410164401
Energy: 1.4630275345843318
Energy: 1.339428573231673
Energy: 1.4630275345843318
Energy: 1.3733972594074408
Energy: 1.6929594455530497
Energy: 1.424670502220343
Energy: 1.6929594455538515
Energy: 1.3530858527652174
Energy: 1.43549583601679
Energy: 1.2650050417061678
Energy: 1.43549583601679
Energy: 1.4265773026275779
Energy: 1.449025506707684
Energy: 1.3734506956237726
Energy: 1.449025506707684
Energy: 1.3964669794199622
Energy: 1.4633584773929738
Energy: 1.3699150504357256
Energy: 1.4633584773929738
Energy: 1.415709147639942
Energy: 1.4304370389887868
Energy: 1.444598581192917
Energy: 1.4304370389887868
Energy: 1.3966304285695756
Energy: 1.4467605584327727
Energy: 1.3664606613232193
Energy: 1.4467605584311694
Energy: 1.4055645850485996
Energy: 1.4538778754831694
Energy: 1.3901730100240834
Energy: 1.4538778754831694
Energy: 1.396788602326916
Energy: 1.4536563663824198
Energy: 1.4155586647919511
Energy: 1.4536563663816182
Energy: 1.3899995694837677
Energy: 1.436873962316697
Energy: 1.3197928419293041
Energy: 1.436873962316697
Energy: 1.4186509617616518
Energy: 1.4360532294900172
Energy: 1.4408046667142307
Energy: 1.436053229490819
Energy: 1.3058788118763436
Energy: 1.4593926766800434
Energy: 1.362138315977043
Energy: 1.4593926766800434
Energy: 1.4419069605473323
Energy: 1.9162010086696923
Energy: 1.3763169121117595
Energy: 1.9162010086696923
Energy: 1.3411318979171492
Energy: 1.43702886004019
Energy: 1.263362146291211
Energy: 1.4370288600393886
Energy: 1.3731555579786716
Energy: 1.642382049793912
Energy: 1.4170668895150376
Energy: 1.64238204979311
Energy: 1.3984201392995876
Energy: 1.4600813926493001
Energy: 1.327166760339315
Energy: 1.4600813926493001
Energy: 1.3813037086341415
Energy: 1.4372856521572448
Energy: 1.3568617012959776
Energy: 1.4372856521572448
Energy: 1.3584985609314524
Energy: 1.6506055451426291
Energy: 1.4198022933069576
Energy: 1.6506055451426291
Energy: 1.3830147163201068
Energy: 1.4629405278612846
Energy: 1.3458485041120385
Energy: 1.4629405278612846
Energy: 1.3961232668872443
Energy: 1.6424021072308292
Energy: 1.3733321044981965
Energy: 1.6424021072300277
Energy: 1.3380793982399641
Energy: 1.4328147673435876
Energy: 1.3921531257557318
Energy: 1.4328147673443894
Energy: 1.4145998590393651
Energy: 1.4531345212692894
Energy: 1.408124632444018
Energy: 1.4531345212692894
Energy: 1.5314198353768425
Energy: 1.4549192203384695
Energy: 1.4020621811627179
Energy: 1.4549192203384695
Energy: 1.4197608820482241
Energy: 1.4441259761045213
Energy: 1.4154188568760864
Energy: 1.444125976105323
Energy: 1.3939059291047045
Energy: 1.432560085635935
Energy: 1.397021475272247
Energy: 1.4325600856367366
Energy: 1.3806806742295217
Energy: 1.4774670871422138
Energy: 1.3762232101133027
Energy: 1.477467087141412

minimum gb energy = 1.263362146291211 eV
minimum distance =  2.23587423495442 Angstroms
sigma value = 1


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

Energy: 1.7322457960667421
Energy: 1.5583199598347022
Energy: 1.4907612446887415
Energy: 1.5583199598347022
Energy: 1.4584669619001542
Energy: 1.5330456477990777
Energy: 1.4765657415027187
Energy: 1.5330456477990777
Energy: 1.402244497782208
Energy: 1.5616320487358821
Energy: 1.4510723055310726
Energy: 1.5616320487358821
Energy: 1.4223791850360195
Energy: 1.4630433172880877
Energy: 1.4011294537158536
Energy: 1.4630433172880877
Energy: 1.4224915720714428
Energy: 1.5272322235422224
Energy: 1.4700261567861999
Energy: 1.5272322235422224
Energy: 1.4865677014466883
Energy: 1.5270149315095982
Energy: 1.4441019573104295
Energy: 1.5270149315095982
Energy: 1.4644607305928827
Energy: 1.6491323880363498
Energy: 1.443584107901115
Energy: 1.6491323880354358
Energy: 1.316161264451567
Energy: 1.5616183564317019
Energy: 1.3922147695940064
Energy: 1.5616183564317019
Energy: 1.4165491387752251
Energy: 2.0367675112678847
Energy: 1.5022457104401454
Energy: 2.0367675112687986
Energy: 1.4414523257059062
Energy: 1.5617248901249676
Energy: 1.4269823210189703
Energy: 1.5617248901249676
Energy: 1.4641736440816302
Energy: 1.5088106019020748
Energy: 1.4839441500504191
Energy: 1.5088106019020748
Energy: 1.3672452994788848
Energy: 1.5403578800856585
Energy: 1.4512659728836943
Energy: 1.5403578800856585
Energy: 1.5113450597755345
Energy: 1.5218493586053932
Energy: 1.4507698677621466
Energy: 1.5218493586053932
Energy: 1.4771853695061732
Energy: 1.522113651777243
Energy: 1.4716163504853577
Energy: 1.522113651777243
Energy: 1.3673191136604057
Energy: 1.5405005253153154
Energy: 1.4464431144641026
Energy: 1.5405005253153154
Energy: 1.4643252643705644
Energy: 1.508828051329828
Energy: 1.4437062721697982
Energy: 1.508828051329828
Energy: 1.441455144200196
Energy: 1.5617181199270114
Energy: 1.4276590895061632
Energy: 1.5617181199270114
Energy: 1.41635656906358
Energy: 2.036510013155568
Energy: 1.502101465049653
Energy: 2.036510013155568
Energy: 1.3162120026804052
Energy: 1.561657202425461
Energy: 1.4100068591348016
Energy: 1.5616572024263748
Energy: 1.464782468776827
Energy: 1.648943957217119
Energy: 1.395772546435581
Energy: 1.6489439572180329
Energy: 1.4866903374917455
Energy: 1.5267097924004007
Energy: 1.4366152240767227
Energy: 1.5267097924004007
Energy: 1.4225455181693885
Energy: 1.526827657937156
Energy: 1.451883707662097
Energy: 1.5268276579362419
Energy: 1.4222942116229713
Energy: 1.463144050265724
Energy: 1.4437862742873562
Energy: 1.463144050265724
Energy: 1.4020832156379468
Energy: 1.5618483847776787
Energy: 1.4463091707774518
Energy: 1.5618483847785511
Energy: 1.4583731195023069
Energy: 1.5330277089647228
Energy: 1.4763341215154984
Energy: 1.5330277089647228
Energy: 1.7322457960676563
Energy: 1.5583199598347022
Energy: 1.5432579506663404
Energy: 1.5583199598337885
Energy: 1.4584669619001542
Energy: 1.5330456477990777
Energy: 1.4765657415027187
Energy: 1.5330456477990777
Energy: 1.402244497782208
Energy: 1.5616320487358821
Energy: 1.4510723055310726
Energy: 1.5616320487358821
Energy: 1.4223791850360195
Energy: 1.4630433172862598
Energy: 1.3935497580136573
Energy: 1.4630433172880877

minimum gb energy = 1.316161264451567 eV
minimum distance =  2.20330761960108 Angstroms
sigma value = 25


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

Energy: 1.5567081315934401
Energy: 1.6250160102227884
Energy: 1.604908109056643
Energy: 1.6250160102227884
Energy: 1.5537535740456496
Energy: 1.5943285594593537
Energy: 1.5022902336474282
Energy: 1.5943285594593537
Energy: 1.4749355602590395
Energy: 1.6864337990827727
Energy: 1.5057354771438853
Energy: 1.6864337990827727
Energy: 1.4964815312440134
Energy: 1.5458369173226427
Energy: 1.4518758395177622
Energy: 1.5458369173226427
Energy: 1.4533509377153795
Energy: 1.6312470721903707
Energy: 1.539219477532721
Energy: 1.6312470721903707
Energy: 1.5750458098845082
Energy: 1.6863813224359274
Energy: 1.7004876815964733
Energy: 1.6863813224359274
Energy: 1.5602750614473098
Energy: 1.7633261731873775
Energy: 1.498542021233018
Energy: 1.7633261731873775
Energy: 1.6304129213749643
Energy: 1.6310417412103724
Energy: 1.3953263192404697
Energy: 1.6310417412103724
Energy: 1.4979391564030462
Energy: 1.5753093131347409
Energy: 1.551884101563488
Energy: 1.5753093131347409
Energy: 1.524828261132562
Energy: 1.6859587255869932
Energy: 1.4366777718117256
Energy: 1.6859587255869932
Energy: 1.5342593809213194
Energy: 1.6247346132833829
Energy: 1.4996726632594892
Energy: 1.6247346132833829
Energy: 1.5004364854983743
Energy: 1.6246134015985703
Energy: 1.4995944433111221
Energy: 1.6246134015985703
Energy: 1.5055154101134713
Energy: 1.6166043414807272
Energy: 1.4368019257195974
Energy: 1.6166043414807272
Energy: 1.4985374421189215
Energy: 1.5811030424770116
Energy: 1.5599659853913252
Energy: 1.5811030424770116
Energy: 1.442911861020313
Energy: 1.6327952777015982
Energy: 1.3928987024140012
Energy: 1.6327952777015982
Energy: 1.5539485994181863
Energy: 1.7637103873983617
Energy: 1.4550128866605643
Energy: 1.763710387415314
Energy: 1.3682831630109302
Energy: 1.6864965363872142
Energy: 1.3682736696698197
Energy: 1.6864965363872142
Energy: 1.45201721053794
Energy: 1.593403425762128
Energy: 1.5377546375107556
Energy: 1.593403425762128
Energy: 1.494750908823562
Energy: 1.6265253140544227
Energy: 1.454737771391841
Energy: 1.6265253140544227
Energy: 1.5820878139456052
Energy: 1.6860245069571074
Energy: 1.5064836069414143
Energy: 1.6860245069571074
Energy: 1.515635430804943
Energy: 1.5860428107484947
Energy: 1.5001723985257307
Energy: 1.5860428107495572
Energy: 1.565522089189519
Energy: 1.6256926693025524
Energy: 1.5691341754883088
Energy: 1.6256926693025524
Energy: 1.5528991019009526
Energy: 1.6042736489091505
Energy: 1.5050814102415981
Energy: 1.6042736489091505
Energy: 1.4735165938944828
Energy: 1.6849717847368326
Energy: 1.5244126636723259
Energy: 1.684971784737895
Energy: 1.4994873570074714
Energy: 1.546404318467699
Energy: 1.4518983917360204
Energy: 1.546404318467699

minimum gb energy = 1.3682736696698197 eV
minimum distance =  2.20104195197501 Angstroms
sigma value = 9


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

Energy: 1.6587821777082459
Energy: 1.6598525893380849
Energy: 1.6873495696585477
Energy: 1.6598525893380849
Energy: 1.5498245847344154
Energy: 1.6922920183760575
Energy: 1.5638111768245875
Energy: 1.6922920183760575
Energy: 1.5501235152309443
Energy: 1.6161618945553797
Energy: 1.5656426869593407
Energy: 1.6161618923559244
Energy: 1.8577180169617076
Energy: 1.6046420108416426
Energy: 1.4725332221621887
Energy: 1.60464201083784
Energy: 1.6739782114169852
Energy: 1.685987712418923
Energy: 1.811550336173729
Energy: 1.685987712418923
Energy: 1.4144345386132506
Energy: 1.7045608375190733
Energy: 1.5977972821699187
Energy: 1.7045608375190733
Energy: 1.5751900590838663
Energy: 1.59657871110284
Energy: 1.4730264624163567
Energy: 1.5965787111041074
Energy: 1.567681771169847
Energy: 1.7044509085175232
Energy: 1.4582481538383218
Energy: 1.7044509085175232
Energy: 1.5759857500265575
Energy: 1.6924066591665468
Energy: 1.6334273311728675
Energy: 1.6924066591665468
Energy: 1.6006330528179626
Energy: 1.6585155874025712
Energy: 1.5973745494637261
Energy: 1.6585155874025712
Energy: 1.4965422601562453
Energy: 1.7015167228101844
Energy: 1.5634483541119084
Energy: 1.7015167228101844
Energy: 1.7089863358611777
Energy: 1.6664825528035356
Energy: 1.4726209528055836
Energy: 1.6664825528035356
Energy: 1.4141945661028728
Energy: 1.7027763915750787
Energy: 1.5781282448020935
Energy: 1.7027763915750787
Energy: 1.5694870569620474
Energy: 2.2836882690653497
Energy: 1.5629235678302311
Energy: 2.2836882690653497
Energy: 1.4142221486987863
Energy: 1.6161549603256111
Energy: 1.5672627254001583
Energy: 1.6161549603256111
Energy: 1.7095429287389494
Energy: 1.6664198363047509
Energy: 1.4726215286454736
Energy: 1.6664198363047509
Energy: 1.494872124759697
Energy: 1.7014364217851767
Energy: 1.5833008258810224
Energy: 1.7014364217864444
Energy: 1.600766713188527
Energy: 1.6587662860742265
Energy: 1.5972459167247457
Energy: 1.6587662860742265
Energy: 1.57600523062495
Energy: 1.6924490811192685
Energy: 1.6548909616044911
Energy: 1.6924490811192685
Energy: 1.5676565100549904
Energy: 1.7042767194068837
Energy: 1.457919260596572
Energy: 1.7042767194068837
Energy: 1.5751935224535978
Energy: 1.59679250695244
Energy: 1.4730999727325342
Energy: 1.59679250695244

minimum gb energy = 1.4141945661028728 eV
minimum distance =  2.24649882764583 Angstroms
sigma value = 25


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

Energy: 1.4969739087892948
Energy: 1.8215758981488799
Energy: 1.7864813793821104
Energy: 1.8215758981488799
Energy: 1.463889860003617
Energy: 1.662428190731094
Energy: 1.439071624051451
Energy: 1.6624281907326617
Energy: 1.6637880400324194
Energy: 1.8456941944490313
Energy: 1.4392854262298973
Energy: 1.8456941944490313
Energy: 1.7230771951670976
Energy: 1.6532372540730644
Energy: 1.6552936405023913
Energy: 1.6532372540730644
Energy: 1.6524232015984444
Energy: 1.4631843049677231
Energy: 1.575150510520869
Energy: 1.4631843049692907
Energy: 1.439563971285011
Energy: 1.8898536132044095
Energy: 1.6626590798189438
Energy: 1.8898536132044095
Energy: 1.5024129047988322
Energy: 1.6810734429663678
Energy: 1.6634220552898573
Energy: 1.6810734429663678
Energy: 1.660995332007507
Energy: 1.825547238237482
Energy: 1.5017874331005243
Energy: 1.825547238237482
Energy: 1.439366629633682
Energy: 1.6623054623261715
Energy: 1.4650845994728117
Energy: 1.6623054623261715
Energy: 1.7111265480070115
Energy: 1.7051124643935727
Energy: 1.663029976624356
Energy: 1.7051124643935727
Energy: 1.5387108870246813
Energy: 1.83505556384595
Energy: 1.8426449796268776
Energy: 1.83505556384595
Energy: 1.4393454698599257
Energy: 1.6245719817587687
Energy: 1.7123347442166597
Energy: 1.6245719817587687
Energy: 1.6334773284457613
Energy: 1.8455778784514105
Energy: 1.4391237668079686
Energy: 1.845577878452978
Energy: 1.4395291915800097
Energy: 1.681326028623821
Energy: 1.7244140312536476
Energy: 1.681326028623821
Energy: 1.502288070641009
Energy: 1.823226209983791
Energy: 1.8582284862922476
Energy: 1.823226209983791
Energy: 1.4639580381875823
Energy: 1.6640944002906102
Energy: 1.4443831440061965
Energy: 1.6640944002890423
Energy: 1.4396296492656515
Energy: 1.5695150493707175
Energy: 1.7106393189839468
Energy: 1.5695150493707175

minimum gb energy = 1.439071624051451 eV
minimum distance =  2.28752578550337 Angstroms
sigma value = 17


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

Energy: 1.6872175052259615
Energy: 1.6968575677183666
Energy: 1.8349351844706396
Energy: 1.6968575677165907
Energy: 1.720113905172644
Energy: 1.5706732714730205
Energy: 1.477367769724535
Energy: 1.5706732714730205
Energy: 1.8488177635688963
Energy: 1.815969688932569
Energy: 1.476520912494448
Energy: 1.815969688931681
Energy: 1.6137020478023918
Energy: 1.836516258592783
Energy: 1.669301501850275
Energy: 1.8365162585945585
Energy: 1.745093851791815
Energy: 1.7438932587178084
Energy: 1.5561003870328884
Energy: 1.7438932587169205
Energy: 1.501683744813253
Energy: 1.6683691458595518
Energy: 1.6978107922280343
Energy: 1.6683691458604397
Energy: 1.5750940314194748
Energy: 1.657954358525676
Energy: 1.57574918918237
Energy: 1.6579543585265637
Energy: 1.693391156293699
Energy: 1.6685073739227072
Energy: 1.4994360669288356
Energy: 1.6685073739466774
Energy: 1.5028224876230067
Energy: 1.8346713572367594
Energy: 1.712163252890917
Energy: 1.8346713572376474
Energy: 1.8468429213292363
Energy: 1.6402240464042552
Energy: 1.4777774335360534
Energy: 1.6402240464033673
Energy: 1.482622006549194
Energy: 1.7111367106698752
Energy: 1.8575726196748186
Energy: 1.7111367106698752
Energy: 1.5925590908657514
Energy: 1.6555362518662862
Energy: 1.5928938586835337
Energy: 1.6555362518662862
Energy: 1.7211360854202808
Energy: 1.6986430826689085
Energy: 1.6617204474383724
Energy: 1.6986430826689085
Energy: 1.4767487575236993
Energy: 1.848310996770883
Energy: 1.7082826111457876
Energy: 1.848310996770883
Energy: 1.6294506983094799
Energy: 1.6576922142288972
Energy: 1.6564991875720048
Energy: 1.6576922142288972
Energy: 1.7077427038026005
Energy: 1.6797296792290255
Energy: 1.692808084672183
Energy: 1.679729679242302
Energy: 1.5752114273706381
Energy: 1.7297689990306342
Energy: 1.8681805306078285
Energy: 1.7297689990306342
Energy: 1.6653989211006275
Energy: 1.6787624698789305
Energy: 1.5023765395822535
Energy: 1.6787624698807062
Energy: 1.6509260319081436
Energy: 1.7301450459635952
Energy: 1.7065958208663534
Energy: 1.7301450459635952
Energy: 1.577696907650486
Energy: 1.8353832605510323
Energy: 1.6322084006719793
Energy: 1.8353832605519198
Energy: 1.5786551959261483
Energy: 1.8155473930734738
Energy: 1.6896302141526276
Energy: 1.8155473931116486
Energy: 1.5769277579638952
Energy: 1.767224302091203
Energy: 1.8409057845814705
Energy: 1.7672243020903153
Energy: 1.688049501094978
Energy: 1.8317900309417434
Energy: 1.4764423260697304
Energy: 1.8317900309408557
Energy: 1.5943594002743684
Energy: 1.65754568140704
Energy: 1.6917325629885278
Energy: 1.657545681407928
Energy: 1.6657027033936136
Energy: 1.815464631510081
Energy: 1.7072586368504616
Energy: 1.815464631510081
Energy: 1.7713180028368205
Energy: 1.8310945349476382
Energy: 1.4782826368854125
Energy: 1.8310945349476382
Energy: 1.518080734536543
Energy: 1.7803458309137088
Energy: 1.8863538497951455
Energy: 1.7803458309137088
Energy: 1.6976858596618754
Energy: 1.6801728317559088
Energy: 1.7019768543773341
Energy: 1.680172831755021
Energy: 1.8461525519896809
Energy: 1.8524113574332959
Energy: 1.5791320432302791
Energy: 1.8524113574332959
Energy: 1.499689020286932
Energy: 1.7309275610291388
Energy: 1.667266734823645
Energy: 1.7309275610291388

minimum gb energy = 1.4764423260697304 eV
minimum distance =  2.17938680186109 Angstroms
sigma value = 53


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

Energy: 1.392285616405895
Energy: 1.3919440284439526
Energy: 1.7948047041824666
Energy: 1.3919440284439526
Energy: 1.7034186139232894
Energy: 1.5685849811361416
Energy: 1.5218390248975548
Energy: 1.5685849811361416
Energy: 1.3932099947278862
Energy: 1.3916819716451556
Energy: 1.575668055593447
Energy: 1.3916819716451556
Energy: 1.393110322365702
Energy: 1.3915886845910823
Energy: 1.5692143448282347
Energy: 1.3915886845910823
Energy: 1.7034739160519239
Energy: 1.568550579402763
Energy: 1.5217024067625942
Energy: 1.568550579402763
Energy: 1.392285616405895
Energy: 1.3919440284439526
Energy: 1.9630484119039024
Energy: 1.39194402844595
Energy: 1.7034244359497592
Energy: 1.5685849811361416
Energy: 1.5679834776958272
Energy: 1.5685849811361416
Energy: 1.3932099947278862
Energy: 1.3916819716451556
Energy: 1.6422485963184348
Energy: 1.3916819716451556
Energy: 1.393110322365702
Energy: 1.3915886845910823
Energy: 1.701297753783366
Energy: 1.3915886845910823
Energy: 1.7034817390201662
Energy: 1.568550579402763
Energy: 1.7020224691778703
Energy: 1.568550579402763
Energy: 1.392285616405895
Energy: 1.3919440284439526
Energy: 1.9630484119039024
Energy: 1.3919440284439526
Energy: 1.7036707100197432
Energy: 1.5685849811361416
Energy: 1.7013508855441974
Energy: 1.5685849811361416
Energy: 1.3932099947299301
Energy: 1.3916819716451556
Energy: 1.642248543586465
Energy: 1.3916819716451556

minimum gb energy = 1.3915886845910823 eV
minimum distance =  2.26579096448803 Angstroms
sigma value = 9


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

Energy: 1.5475912134854448
Energy: 1.8260251783617516
Energy: 1.931328496657117
Energy: 1.8260251783617516
Energy: 1.907503731480581
Energy: 1.6143748696928522
Energy: 1.5568319244009952
Energy: 1.6143748696920956
Energy: 1.5395552202001783
Energy: 1.5279860513319645
Energy: 1.571712571339321
Energy: 1.5279860513327208
Energy: 1.7595613742518317
Energy: 1.8840747362278596
Energy: 1.6366569783318983
Energy: 1.8840747362278596
Energy: 1.7630742240404624
Energy: 1.6083719771498834
Energy: 1.570975428351456
Energy: 1.6083719771513965
Energy: 1.5275267869016638
Energy: 1.527055880311182
Energy: 1.7789681346712332
Energy: 1.5270558803104257
Energy: 2.0521387867563434
Energy: 1.6004144245883085
Energy: 1.5873202618380593
Energy: 1.6004144245883085
Energy: 1.554059729172436
Energy: 1.8896179319868227
Energy: 1.7845681015295596
Energy: 1.8896179319860662
Energy: 1.542666712471514
Energy: 1.7144542284221944
Energy: 1.5265668297509143
Energy: 1.714454228422951
Energy: 1.5396801557914335
Energy: 1.612847691490392
Energy: 1.5595325713963177
Energy: 1.6128476914896355
Energy: 1.5564193387102496
Energy: 1.6937451306554019
Energy: 1.9788332753564812
Energy: 1.6937451306531326
Energy: 1.7964422794185158
Energy: 1.8244345199197156
Energy: 1.549863272093119
Energy: 1.8244345199658594
Energy: 1.5432072414554334
Energy: 1.6856290311096436
Energy: 1.8684036111260258
Energy: 1.6856290311081308
Energy: 1.7887102964136679
Energy: 1.9195091660477404
Energy: 1.5578397258122332
Energy: 1.9195091660477404
Energy: 1.561533288685162
Energy: 1.762402208252942
Energy: 1.7678699663113102
Energy: 1.762402208252942
Energy: 1.5459660646410878
Energy: 1.902286213959891
Energy: 1.7626884774315617
Energy: 1.902286213959891
Energy: 1.6990907319368744
Energy: 1.7616779434858458
Energy: 1.5615610744091273
Energy: 1.761677943484333
Energy: 1.590474825819132
Energy: 1.6006161406887474
Energy: 1.8405473367645382
Energy: 1.6006161406872346
Energy: 1.818731136660537
Energy: 1.768058172164348
Energy: 1.530828725257069
Energy: 1.7680581721651045
Energy: 1.548218700562966
Energy: 1.634538602942322
Energy: 1.7261344294287027
Energy: 1.6345386029430784
Energy: 1.768887333800321
Energy: 1.8811468288360849
Energy: 1.7600485787862508
Energy: 1.8811468288368411
Energy: 1.7303688858121875
Energy: 1.742243927034622
Energy: 1.540007104724868
Energy: 1.7422439270353784
Energy: 1.527110684925505
Energy: 1.767493442370446
Energy: 1.5431274388432519
Energy: 1.767493442370446
Energy: 1.9723390507130771
Energy: 1.6892582329273225
Energy: 1.5545097834083268
Energy: 1.689258232928079
Energy: 1.5574748405700731
Energy: 1.8291759677914807
Energy: 1.9501013107056955
Energy: 1.8291759677914807
Energy: 1.6664435231433758
Energy: 1.5279737817305843
Energy: 1.5392041203925286
Energy: 1.5279737817313406
Energy: 1.694764239390903
Energy: 1.7484108542061474
Energy: 1.7431047393915768
Energy: 1.748410854205391
Energy: 1.5478900903572903
Energy: 1.8844229301874553
Energy: 1.744072716834654
Energy: 1.884422930186699
Energy: 1.658982007015794
Energy: 1.5271413863420513
Energy: 1.5381407733700687
Energy: 1.5271413863420513
Energy: 1.556940474586311
Energy: 1.828912468155656
Energy: 1.9519538614287284
Energy: 1.8289124681548994
Energy: 1.8738588691476754
Energy: 1.69146356326199
Energy: 1.5530536824952421
Energy: 1.6914635632642594
Energy: 1.527522007170075
Energy: 1.604014425843904
Energy: 1.5395481624337732
Energy: 1.604014425843904
Energy: 1.557148444060029
Energy: 1.7500273383821827
Energy: 1.5386608008970224
Energy: 1.7500273383821827
Energy: 1.7751657576648312
Energy: 1.8840231428844108
Energy: 1.7593563316356515
Energy: 1.8840231428836542
Energy: 1.5463591771500098
Energy: 1.8076195730001052
Energy: 2.072237920643949
Energy: 1.8076195730008617

minimum gb energy = 1.5265668297509143 eV
minimum distance =  2.20449619851248 Angstroms
sigma value = 73


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

Energy: 1.6755575373321894
Energy: 1.6808738606726026
Energy: 1.9492950846817048
Energy: 1.6808738606786036
Energy: 1.833868434645105
Energy: 1.6762886342715764
Energy: 1.540027706855299
Energy: 1.6762886342715764
Energy: 1.5905685258246864
Energy: 1.5388383723446166
Energy: 1.5466671699691774
Energy: 1.5388383723446166
Energy: 1.5634227372823504
Energy: 1.7797620544596833
Energy: 1.6772536231547177
Energy: 1.7797620544596833
Energy: 1.6752833721142921
Energy: 1.677561592958255
Energy: 1.6001822869558346
Energy: 1.677561592958255
Energy: 1.603895680562375
Energy: 1.8294893155644267
Energy: 1.886176509432413
Energy: 1.8294893155644267
Energy: 2.0110018995861307
Energy: 1.7645012261892474
Energy: 1.628396827771849
Energy: 1.7645012261892474
Energy: 1.5605234049958725
Energy: 1.5386964074177272
Energy: 1.9044491026824175
Energy: 1.5386964074177272
Energy: 1.9520306147395903
Energy: 1.5396081373080936
Energy: 1.5387657179253305
Energy: 1.5396081373080936
Energy: 1.5902954545257042
Energy: 1.6849446335856166
Energy: 1.5920915011652608
Energy: 1.6849446335856166
Energy: 1.5578824913640634
Energy: 1.5389210546072314
Energy: 1.8865071643686027
Energy: 1.5389210546072314
Energy: 1.8344358998906352
Energy: 1.7781416309876363
Energy: 1.563934518014116
Energy: 1.7781416309876363
Energy: 1.5929595904569296
Energy: 1.6384765319831411
Energy: 1.870613836214794
Energy: 1.6384765319831411
Energy: 1.8790904942400288
Energy: 1.7601188203996876
Energy: 1.6002306734653826
Energy: 1.7601188203996876
Energy: 1.5517408003545432
Energy: 1.831960377227246
Energy: 1.9481449175117362
Energy: 1.831960377227246
Energy: 1.8844501091129502
Energy: 1.54174979065255
Energy: 1.5610436319713936
Energy: 1.54174979065255
Energy: 1.669449658858958
Energy: 1.6761066726630562
Energy: 1.5965129258092292
Energy: 1.6761066726654568
Energy: 1.6697536405305307
Energy: 1.7871286840204605
Energy: 1.596531497376047
Energy: 1.7871286840204605
Energy: 1.6064699338439505
Energy: 1.5387704930811645
Energy: 1.5579582668868814
Energy: 1.5387704930811645
Energy: 1.6124288952762074
Energy: 1.7251759708523433
Energy: 2.005686394715374
Energy: 1.7251759708523433
Energy: 1.9232674273992723
Energy: 1.8307928022378828
Energy: 1.6012579397196984
Energy: 1.8307928022378828
Energy: 1.6770583576138924
Energy: 1.6908400777228785
Energy: 1.7603817660822998
Energy: 1.6908400777240788

minimum gb energy = 1.5386964074177272 eV
minimum distance =  2.21807814981552 Angstroms
sigma value = 7


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

Energy: 1.5774331166024287
Energy: 1.5780085717272756
Energy: 1.9328040607178758
Energy: 1.5780085717264272
Energy: 1.970344342011166
Energy: 1.697084064480652
Energy: 1.5979536105636327
Energy: 1.6970840644815006
Energy: 1.5630364049324927
Energy: 1.8184987096867213
Energy: 1.6388094606244763
Energy: 1.8184987096867213
Energy: 1.6562796292415098
Energy: 1.672001147960548
Energy: 1.6128425970781342
Energy: 1.672001147960548
Energy: 1.5839346792879196
Energy: 1.67806054422964
Energy: 1.5703686673079045
Energy: 1.6780605442287913
Energy: 1.5666979827854814
Energy: 1.5776303533445881
Energy: 1.9222264911250113
Energy: 1.5776303533437395
Energy: 1.8805547938553273
Energy: 1.8652771865758857
Energy: 1.6189943393269963
Energy: 1.8652771865741882
Energy: 1.5663439729422572
Energy: 1.5781744397592863
Energy: 2.0466081427082474
Energy: 1.5781744397575888
Energy: 1.8327382056738173
Energy: 1.6530142002260788
Energy: 1.610373371754001
Energy: 1.6530142002260788
Energy: 1.5809093914458165
Energy: 1.6738735917987793
Energy: 1.7566140725053532
Energy: 1.6738735917987793
Energy: 1.6950030187537368
Energy: 1.8200067521998011
Energy: 1.6951109109242837
Energy: 1.8200067522006498
Energy: 1.5788806758487093
Energy: 1.6785049377342902
Energy: 1.6579432306131585
Energy: 1.6785049377342902
Energy: 1.5777780315901613
Energy: 1.57898358731698
Energy: 1.6600082341691462
Energy: 1.57898358731698
Energy: 1.6394698414277542
Energy: 1.5665368492470193
Energy: 1.6391715743197504
Energy: 1.5665368492461706
Energy: 1.5779587887650586
Energy: 1.8781273130631817
Energy: 1.9321813773502026
Energy: 1.8781273130640304
Energy: 2.0090679360248247
Energy: 1.565939034005259
Energy: 1.5830104579470532
Energy: 1.5659390340044106
Energy: 1.597595027494843
Energy: 1.6784570524982354
Energy: 1.8224873754836128
Energy: 1.6784570524982354
Energy: 1.5691574541227837
Energy: 1.8133914665091302
Energy: 1.6575558135176613
Energy: 1.8133914665091302
Energy: 1.5972462342246083
Energy: 1.5777234812729073
Energy: 1.6723854474455242
Energy: 1.5777234812729073
Energy: 1.5801480985310299
Energy: 1.6557304476204093
Energy: 1.6718244664982775
Energy: 1.6557304476204093
Energy: 1.6961715646915816
Energy: 1.8225263545129133
Energy: 1.6095914719576694
Energy: 1.8225263545129133
Energy: 1.5914340345429852
Energy: 1.578415566402706
Energy: 1.8312705255138968
Energy: 1.5784155664035548
Energy: 1.939613737918675
Energy: 1.7705871347264868
Energy: 1.605578717654047
Energy: 1.7705871347264868
Energy: 1.5832216878316034
Energy: 1.5788084968584846
Energy: 2.020204214072992
Energy: 1.5788084968584846
Energy: 1.6688781950834213
Energy: 1.6561210197388703
Energy: 1.6351916139165545
Energy: 1.6561210197388703
Energy: 1.6328329968831563
Energy: 1.8177053930963813
Energy: 1.646393182189342
Energy: 1.8177053930963813
Energy: 1.5833721899974207
Energy: 1.6735704139460363
Energy: 1.73465301953408
Energy: 1.6735704139468852
Energy: 1.6343736377594644
Energy: 1.678529454482252
Energy: 1.6126582822005882
Energy: 1.678529454482252
Energy: 1.5619527399900488
Energy: 1.5794835572492034
Energy: 1.8685135188476005
Energy: 1.5794835572483548
Energy: 1.815325445750549
Energy: 1.624255461825351
Energy: 1.5980651592952944
Energy: 1.6242554618245026
Energy: 1.5621041819461436
Energy: 1.578759639388858
Energy: 1.837146599490123
Energy: 1.578759639388858

minimum gb energy = 1.5619527399900488 eV
minimum distance =  2.20314571696069 Angstroms
sigma value = 29


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

Energy: 1.5211026152213523
Energy: 1.483334087736813
Energy: 1.7037479043404176
Energy: 1.483334087736813
Energy: 1.6720855109118302
Energy: 1.522544426937663
Energy: 1.5893136976964664
Energy: 1.522544426938254
Energy: 1.5212448790814739
Energy: 1.5758340140317861
Energy: 1.6013656109552448
Energy: 1.575834014031523
Energy: 1.519285387944081
Energy: 1.4535002436107154
Energy: 1.6444597043684015
Energy: 1.4535002436107154
Energy: 1.5216337414717038
Energy: 1.5362560055017684
Energy: 1.6721051470032275
Energy: 1.5362560055020638
Energy: 1.6015200307358421
Energy: 1.5765984121773169
Energy: 1.6014921197627605
Energy: 1.5765984121773169
Energy: 1.452663606168936
Energy: 1.5365184421794678
Energy: 1.5215197735964043
Energy: 1.5365184421794678
Energy: 1.6444673602477329
Energy: 1.453645961972911
Energy: 1.5193802807818453
Energy: 1.4536459619732067
Energy: 1.601386099638331
Energy: 1.5757899194438556
Energy: 1.6019595167911125
Energy: 1.5757899194441511

minimum gb energy = 1.452663606168936 eV
minimum distance =  2.26144675246192 Angstroms
sigma value = 5


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

Energy: 1.5205726527882586
Energy: 1.506969886758311
Energy: 1.7477890254301678
Energy: 1.5069698867559063
Energy: 1.7082104920299945
Energy: 1.4796314317728834
Energy: 1.4904149501474353
Energy: 1.4796314317728834
Energy: 1.4725487969865692
Energy: 1.4971477286417954
Energy: 1.7388676568290427
Energy: 1.4971477286425972
Energy: 1.5199170629703684
Energy: 1.56640321348167
Energy: 1.4920188909566194
Energy: 1.5664032134808683
Energy: 1.4922622515991182
Energy: 1.5757560653730192
Energy: 1.7097395108716882
Energy: 1.5757560653722174
Energy: 1.5228012792764687
Energy: 1.5099206854773486
Energy: 1.470647300470819
Energy: 1.5099206854765468
Energy: 1.4691153299777855
Energy: 1.5853594389611905
Energy: 1.4886494869491869
Energy: 1.585359438960389
Energy: 1.4705093356068009
Energy: 1.5098038461651675
Energy: 1.480351838347441
Energy: 1.5098038461651675
Energy: 1.4849436970195347
Energy: 1.692173111197463
Energy: 1.4827094691790288
Energy: 1.692173111197463
Energy: 1.4865756814101048
Energy: 1.5769116608442149
Energy: 1.5359184866016793
Energy: 1.5769116608442149
Energy: 1.4825700303830378
Energy: 1.510381215806491
Energy: 1.4722983004813934
Energy: 1.5103812158056895
Energy: 1.4849626223604528
Energy: 1.740516555898445
Energy: 1.6485023282446414
Energy: 1.740516555898445
Energy: 1.5703057410209622
Energy: 1.5083768167694085
Energy: 1.5046813408431983
Energy: 1.508376816768607
Energy: 1.4867878928442275
Energy: 1.508754881139496
Energy: 1.672350710487763
Energy: 1.5087548811402975
Energy: 1.733151045807411
Energy: 1.466273419095884
Energy: 1.472008225161071
Energy: 1.4662734190950826
Energy: 1.4898446726000436
Energy: 1.4915387456091764
Energy: 1.815340777714396
Energy: 1.4915387456059699
Energy: 1.7389157664641428
Energy: 1.4763710018462752
Energy: 1.5104267523911812
Energy: 1.4763710018462752
Energy: 1.48354147652933
Energy: 1.5082903406449613
Energy: 1.626037838356278
Energy: 1.5082903406457628
Energy: 1.4928671145076302
Energy: 1.5875170089203006
Energy: 1.4734667321939696
Energy: 1.587517008919499
Energy: 1.4736210418370392
Energy: 1.6497351329800405
Energy: 1.4972627837155794
Energy: 1.6497351329800405
Energy: 1.4832962809777104
Energy: 1.6895813517290146
Energy: 1.4863820745648075
Energy: 1.6895813517290146
Energy: 1.4869588274335142
Energy: 1.5753964112272225
Energy: 1.4846160137451
Energy: 1.5753964112272225
Energy: 1.4752286799795336
Energy: 1.5091728475609405
Energy: 1.4760425350400534
Energy: 1.509172847561742
Energy: 1.623042501714132
Energy: 1.5178860887264922
Energy: 1.4889073031291395
Energy: 1.5178860887288972
Energy: 1.635408465553858
Energy: 1.703009308592026
Energy: 1.4945570879565129
Energy: 1.703009308592026
Energy: 1.4940106449766186
Energy: 1.5089098638161553
Energy: 1.4788451811760661
Energy: 1.5089098638153535
Energy: 1.4756728530576577
Energy: 1.6416581971604567
Energy: 1.6366649217136742
Energy: 1.6416581971604567
Energy: 1.7377280479960866
Energy: 1.5769548275064575
Energy: 1.4875461157349534
Energy: 1.5769548275064575
Energy: 1.4847301199233205
Energy: 1.4751230031401117
Energy: 1.529770618395474
Energy: 1.4751230031409133
Energy: 1.6343987146542203
Energy: 1.5078374919140636
Energy: 1.4823063124846256
Energy: 1.507837491913262
Energy: 1.4758091652188623
Energy: 1.4970867032105828
Energy: 1.6598364474616223
Energy: 1.4970867032097812
Energy: 1.7111714777711065
Energy: 1.570475212138812
Energy: 1.4811019442804816
Energy: 1.5704752121372085
Energy: 1.4939487739382973
Energy: 1.688960512779882
Energy: 1.4673719420924363
Energy: 1.6889605127806837

minimum gb energy = 1.4662734190950826 eV
minimum distance =  2.2046244099838 Angstroms
sigma value = 1


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

Energy: 1.4495854372805976
Energy: 1.44950086755204
Energy: 1.726826092338427
Energy: 1.44950086755204
Energy: 1.5121355425420604
Energy: 1.4020760425967342
Energy: 1.4279101275316237
Energy: 1.4020760425967342
Energy: 1.3948885509521505
Energy: 1.4500437755931337
Energy: 1.9025905089561788
Energy: 1.4500437755931337
Energy: 1.696642758360493
Energy: 1.529636707216353
Energy: 1.4098309057613403
Energy: 1.529636707216353
Energy: 1.395341236613597
Energy: 1.44851987010019
Energy: 1.6870845682335909
Energy: 1.4485198700990816
Energy: 1.3962164021603403
Energy: 1.5296099491898891
Energy: 1.4099928425337056
Energy: 1.5296099491898891
Energy: 1.3892496753572878
Energy: 1.5705240019508848
Energy: 1.4781289674917792
Energy: 1.5705240019508848
Energy: 1.3889671668754344
Energy: 1.4515090319290855
Energy: 1.480061123074523
Energy: 1.4515090319301935
Energy: 1.448818581312194
Energy: 1.4501331220781315
Energy: 1.5084905945908664
Energy: 1.450133122077023
Energy: 1.4489087510007772
Energy: 1.4500941283612752
Energy: 1.5007010690787508
Energy: 1.4500941283612752
Energy: 1.388941192754179
Energy: 1.451532109937824
Energy: 1.5086724454766938
Energy: 1.451532109937824
Energy: 1.3955169351022505
Energy: 1.570508692384684
Energy: 1.4156093784735369
Energy: 1.5705086923835754
Energy: 1.3975389258865998
Energy: 1.5293185842439856
Energy: 1.4099607211139773
Energy: 1.5293185842428771
Energy: 1.3953146228908742
Energy: 1.448519096094369
Energy: 1.60513171703002
Energy: 1.4485190960932603
Energy: 1.6968392658759541
Energy: 1.52965539447
Energy: 1.4095622231029536
Energy: 1.52965539447
Energy: 1.3946555347795548
Energy: 1.4500582478152277
Energy: 1.571142898833484
Energy: 1.4500582478163362
Energy: 1.5122399928702166
Energy: 1.4020867285725416
Energy: 1.4278761326661797
Energy: 1.4020867285725416
Energy: 1.4495854372805976
Energy: 1.44950086755204
Energy: 1.730394199976134
Energy: 1.44950086755204
Energy: 1.5121355425420604
Energy: 1.4020760425967342
Energy: 1.4279101275316237
Energy: 1.4020760425967342
Energy: 1.3948885509521505
Energy: 1.4500437755931337
Energy: 1.9025905089561788
Energy: 1.4500437755931337
Energy: 1.696642631606383
Energy: 1.529636707216353
Energy: 1.4098309057613403
Energy: 1.529636707216353
Energy: 1.395341236613597
Energy: 1.44851987010019
Energy: 1.6870845682324824
Energy: 1.4485198700990816
Energy: 1.3962164021592318
Energy: 1.5296099491898891
Energy: 1.4099928425325972
Energy: 1.5296099491898891
Energy: 1.3892496753572878
Energy: 1.5705240019497764
Energy: 1.4781289674917792
Energy: 1.5705240019508848

minimum gb energy = 1.388941192754179 eV
minimum distance =  2.21838657496919 Angstroms
sigma value = 17


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

Energy: 1.434744623692306
Energy: 1.4350142865316091
Energy: 1.728795043990317
Energy: 1.4350142865316091
Energy: 1.6699559223915963
Energy: 1.421962215090336
Energy: 1.4021970524347314
Energy: 1.4219622150875957
Energy: 1.3998459529462188
Energy: 1.4186494747844949
Energy: 1.7058460751254942
Energy: 1.4186494747844949
Energy: 1.5402115171735107
Energy: 1.3878967533843427
Energy: 1.3964594683943743
Energy: 1.3878967533850275
Energy: 1.3965564457201562
Energy: 1.515811324066336
Energy: 1.7378503129940293
Energy: 1.515811324066336
Energy: 1.3901794452007121
Energy: 1.6610715268393916
Energy: 1.4141852110003086
Energy: 1.6610715268393916
Energy: 1.4245611295617215
Energy: 1.4936401405740871
Energy: 1.4677019339298958
Energy: 1.4936401405747721
Energy: 1.4167437836351884
Energy: 1.6716507966674201
Energy: 1.4075145161174565
Energy: 1.6716507966674201
Energy: 1.4335691851234738
Energy: 1.6715627795602086
Energy: 1.5159968474471577
Energy: 1.6715627795608938
Energy: 1.417982559877496
Energy: 1.4823094651672537
Energy: 1.4030379650491447
Energy: 1.4823094651686242
Energy: 1.3911567272095369
Energy: 1.454400699700706
Energy: 1.4035368242984634
Energy: 1.454400699701391
Energy: 1.3899576132670888
Energy: 1.4864081457971814
Energy: 1.4172709970751145
Energy: 1.4864081457971814
Energy: 1.3879365191389537
Energy: 1.6611840938795404
Energy: 1.4011586410047845
Energy: 1.6611840938850213
Energy: 1.4206772648090316
Energy: 1.514257655429097
Energy: 1.4341663596864629
Energy: 1.514257655428412
Energy: 1.4604704630415823
Energy: 1.6539824991598866
Energy: 1.4466245222579786
Energy: 1.6539824991598866
Energy: 1.4050494662219284
Energy: 1.4194233677153418
Energy: 1.7570961250933501
Energy: 1.419423367714657
Energy: 1.4527163783111134
Energy: 1.6522806775306365
Energy: 1.4009310007219173
Energy: 1.6522806775306365
Energy: 1.3904980558764435
Energy: 1.435232632440064
Energy: 1.7050606601082083
Energy: 1.4352326324393792
Energy: 1.5950688868843945
Energy: 1.4886155932055822
Energy: 1.401857554738023
Energy: 1.4886155932069522
Energy: 1.4077403857994824
Energy: 1.4196200449878404
Energy: 1.766550811219723
Energy: 1.4196200449871554
Energy: 1.4316831932639886
Energy: 1.4120156612008001
Energy: 1.421904444366641
Energy: 1.4120156612008001
Energy: 1.4222138924742889
Energy: 1.6865421857528309
Energy: 1.5939854769834387
Energy: 1.6865421857521459
Energy: 1.7917621373616348
Energy: 1.4043463248751888
Energy: 1.410075279550599
Energy: 1.4043463248751888
Energy: 1.4018854310531024
Energy: 1.4959056515801603
Energy: 1.6050176502247009
Energy: 1.495905651578105
Energy: 1.7181864636637687
Energy: 1.436046673328848
Energy: 1.3927106597109247
Energy: 1.436046673328848
Energy: 1.4037144667825774
Energy: 1.5158259706367565
Energy: 1.4470065417459665
Energy: 1.5158259706367565
Energy: 1.5887089876697797
Energy: 1.474775775076327
Energy: 1.3969778347676198
Energy: 1.4747757750756418
Energy: 1.4472401215139483
Energy: 1.6519339626244538
Energy: 1.4608253429762086
Energy: 1.6519339626244538
Energy: 1.43384894280298
Energy: 1.5136987965537982
Energy: 1.4174362659941762
Energy: 1.5136987965531132
Energy: 1.418842999135798
Energy: 1.4709244437697893
Energy: 1.4712614995021254
Energy: 1.470924443770474
Energy: 1.3972933757069539
Energy: 1.5115127359174678
Energy: 1.3898868522143524
Energy: 1.5115127359174678
Energy: 1.4592711904750308
Energy: 1.645652457914296
Energy: 1.400514807297967
Energy: 1.645652457913611
Energy: 1.3973591343100953
Energy: 1.4830817453175602
Energy: 1.6159295762063037
Energy: 1.4830817453182454
Energy: 1.5201793787335418
Energy: 1.6755917882710616
Energy: 1.4160104427981568
Energy: 1.6755917882710616
Energy: 1.3917078871835458
Energy: 1.4364980555331412
Energy: 1.4458880197611845
Energy: 1.436498055532456
Energy: 1.4675327405231888
Energy: 1.4947995352879995
Energy: 1.4225274224439484
Energy: 1.4947995352893695
Energy: 1.4101966555214558
Energy: 1.6602076876641423
Energy: 1.3933643594996585
Energy: 1.6602076876627723
Energy: 1.4545367285776123
Energy: 1.5176531843685417
Energy: 1.405784387943306
Energy: 1.5176531843685417

minimum gb energy = 1.3878967533843427 eV
minimum distance =  2.21227448994576 Angstroms
sigma value = 89


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

Energy: 1.2709014788172353
Energy: 1.271146325563059
Energy: 1.6880292602764517
Energy: 1.271146325563059
Energy: 1.271335068527218
Energy: 1.3111617005783982
Energy: 1.2927547498620113
Energy: 1.3111617005783982
Energy: 1.2893725887844165
Energy: 1.4888463355816024
Energy: 2.1010942356659745
Energy: 1.4888463355816024
Energy: 1.6101591373936717
Energy: 1.3112863151763983
Energy: 1.2932334199089772
Energy: 1.3112863151746055
Energy: 1.2888868559776283
Energy: 1.3858347319175595
Energy: 2.0015173698263653
Energy: 1.3858347319175595
Energy: 1.288987943561437
Energy: 1.2716266886520073
Energy: 1.2704453320361582
Energy: 1.2716266886520073
Energy: 1.2895315662328486
Energy: 1.489255926883778
Energy: 1.270906646769848
Energy: 1.489255926883778
Energy: 1.2986318121694675
Energy: 1.7470334074139702
Energy: 1.2924200991359223
Energy: 1.7470334074139702
Energy: 1.2888384059191318
Energy: 1.3859193221548665
Energy: 1.3082535987067327
Energy: 1.3859193221548665
Energy: 1.3109597255097012
Energy: 1.6433274947556478
Energy: 1.2888655191824505
Energy: 1.6433274947556478
Energy: 1.2705857897984323
Energy: 1.3119731395685812
Energy: 1.289004272360242
Energy: 1.3119731395685812
Energy: 1.270826658995273
Energy: 1.4849753398946852
Energy: 1.2927253128860317
Energy: 1.4849753398946852
Energy: 1.2888946968936483
Energy: 1.2723242854895456
Energy: 1.2946347890817742
Energy: 1.272324285491338
Energy: 1.2889265264612615
Energy: 1.3817460399129264
Energy: 1.2888307714717329
Energy: 1.3817460399129264
Energy: 1.2744329697927814
Energy: 1.2723106372440527
Energy: 1.288919139203916
Energy: 1.2723106372440527

minimum gb energy = 1.2704453320361582 eV
minimum distance =  2.23727023678394 Angstroms
sigma value = 13


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

Energy: 1.2724319895439273
Energy: 1.6692782123317147
Energy: 1.648976757275846
Energy: 1.6692782123317147
Energy: 1.6104825517855155
Energy: 1.6907724762710608
Energy: 1.2293183844661493
Energy: 1.6907724762710608
Energy: 1.2393031180664142
Energy: 1.7331008493950721
Energy: 1.4755596015480998
Energy: 1.7331008493958235
Energy: 1.2598309994977597
Energy: 1.690246207511638
Energy: 1.227174871225284
Energy: 1.690246207511638
Energy: 1.2461745040563192
Energy: 1.5082253966520764
Energy: 1.3107803844786678
Energy: 1.5082253966483201
Energy: 1.2552783296916148
Energy: 1.4829808356682204
Energy: 1.2461870996591224
Energy: 1.482980835665215
Energy: 1.2456257766156256
Energy: 1.7017250726557716
Energy: 1.6953756104778492
Energy: 1.7017250726550206
Energy: 1.2712438628747684
Energy: 1.7553519066134027
Energy: 1.2463578536855224
Energy: 1.7553519066134027
Energy: 1.2461775002600695
Energy: 1.7007342468478215
Energy: 1.4323683907479487
Energy: 1.7007342468470703
Energy: 1.4714589030038485
Energy: 1.5290174409497743
Energy: 1.2274242999088207
Energy: 1.5290174409475203
Energy: 1.2460612035125513
Energy: 1.5282237234112097
Energy: 1.2578042317296525
Energy: 1.5282237234112097
Energy: 1.61575806624434
Energy: 1.5306166924630638
Energy: 1.235032327870777
Energy: 1.5306166924623124
Energy: 1.2870881931870626
Energy: 1.4721178553269694
Energy: 1.2663053019476207
Energy: 1.4721178553299745
Energy: 1.6344619807033987
Energy: 1.5297704451053724
Energy: 1.236207826021039
Energy: 1.5297704451196479
Energy: 1.2459202714651014
Energy: 1.7388603737100101
Energy: 1.2666993009812115
Energy: 1.7388603737100101
Energy: 1.2279667400661591
Energy: 1.5291671188240417
Energy: 1.2243454606340738
Energy: 1.5291671188240417
Energy: 1.2431665913937
Energy: 1.498771735074549
Energy: 1.2243109029294426
Energy: 1.4987717350707925
Energy: 1.2605429125225023
Energy: 1.696141434381464
Energy: 1.2422108816502357
Energy: 1.696141434381464
Energy: 1.242746363536254
Energy: 1.8062603180064816
Energy: 1.242282808080066
Energy: 1.8062603180064816
Energy: 1.2426334258842966
Energy: 1.697447289174261
Energy: 1.2421322526386027
Energy: 1.697447289174261
Energy: 1.2594981654392117
Energy: 1.6959263301819851
Energy: 1.2423979525068762
Energy: 1.6959263301812337
Energy: 1.2425116312680455
Energy: 1.4990984699424084
Energy: 1.2241698537802013
Energy: 1.499098469940906
Energy: 1.2281165689542317
Energy: 1.5294451665713182
Energy: 1.223604953647668
Energy: 1.5294451665720694
Energy: 1.2458540108187974
Energy: 1.7278619505250439
Energy: 1.2639670810580812
Energy: 1.7278619505235409
Energy: 1.6356522041538657
Energy: 1.5298646771088542
Energy: 1.235938521199566
Energy: 1.5298646771073514
Energy: 1.2868211548279953
Energy: 1.471873920064713
Energy: 1.263773277846486
Energy: 1.4718739200610245
Energy: 1.61575172871346
Energy: 1.5298278650591002
Energy: 1.2356447271789637
Energy: 1.529827865058349
Energy: 1.2461516036183766
Energy: 1.5278657904007187
Energy: 1.2249093573725827
Energy: 1.5278657904007187
Energy: 1.4590863158417282
Energy: 1.5299103746900353
Energy: 1.2273886224885935
Energy: 1.529910374789142
Energy: 1.2459622684794114
Energy: 1.7007213021212264
Energy: 1.4340239075947157
Energy: 1.7007213021212264
Energy: 1.2710103746463282
Energy: 1.7557992042314459
Energy: 1.2463081889405125
Energy: 1.7557992042321973
Energy: 1.2456574155515217
Energy: 1.7025436539535381
Energy: 1.6262595934196573
Energy: 1.702543653952787
Energy: 1.2566987434411279
Energy: 1.4845288940680215
Energy: 1.2461650303828016
Energy: 1.4845288940665187
Energy: 1.2457461476669052
Energy: 1.5075614815197542
Energy: 1.6109212953100698
Energy: 1.5075614815152463
Energy: 1.2603341255866916
Energy: 1.690429078562809
Energy: 1.2272579143536706
Energy: 1.690429078562058

minimum gb energy = 1.223604953647668 eV
minimum distance =  2.13966063652033 Angstroms
sigma value = 37


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

Energy: 1.1730987494485643
Energy: 1.1727503976727895
Energy: 1.5722261846960601
Energy: 1.1727503976727895
Energy: 1.2639449767533535
Energy: 1.5062880835879269
Energy: 1.1296921740825765
Energy: 1.5062880835879269
Energy: 1.1387666729294108
Energy: 1.8613398401602825
Energy: 1.9511674177655682
Energy: 1.8613398401602825
Energy: 1.117459022836872
Energy: 1.5061852596511727
Energy: 1.1296141773804012
Energy: 1.5061852596511727
Energy: 1.1275567127648498
Energy: 1.5054508512483875
Energy: 1.5646551721628996
Energy: 1.5054508512483875
Energy: 1.8955252986712237
Energy: 1.5060971328859374
Energy: 1.1217984340663898
Energy: 1.5060971328846446
Energy: 1.1552413531935783
Energy: 1.866261477977662
Energy: 1.4568913786946625
Energy: 1.866261477977662
Energy: 1.1275183999102962
Energy: 1.1728914017320893
Energy: 1.1765482696958527
Energy: 1.1728914017320893
Energy: 1.1276560112439968
Energy: 1.5232442011951213
Energy: 1.4564193564766366
Energy: 1.5232442011951213
Energy: 1.9493110452864533
Energy: 1.5376450111155793
Energy: 1.1217533897506584
Energy: 1.5376450111155793
Energy: 1.1552289644833138
Energy: 1.8600054855096397
Energy: 1.1178548719336692
Energy: 1.8600054855096397
Energy: 1.5123060337139291
Energy: 1.1722385652294862
Energy: 1.1297883509697215
Energy: 1.1722385652294862
Energy: 1.1173604296143689
Energy: 1.5232838549493481
Energy: 1.1402652615139355
Energy: 1.5232838549493481
Energy: 1.4546046190208781
Energy: 1.8610300266970345
Energy: 1.1272477529474567
Energy: 1.8610300266970345
Energy: 1.1722996867529525
Energy: 1.22897770418505
Energy: 1.1274117524170577
Energy: 1.22897770418505
Energy: 1.1725707805824153
Energy: 1.5235136511717542
Energy: 1.1297535270604553
Energy: 1.5235136511717542
Energy: 1.1173561990590528
Energy: 1.5370738085863402
Energy: 1.1368894118876383
Energy: 1.5370738085863402
Energy: 1.117693757175005
Energy: 1.8646294716327956
Energy: 1.127342073192432
Energy: 1.8646294716327956
Energy: 1.1273264454186671
Energy: 1.1731906781889698
Energy: 1.1274128689363445
Energy: 1.1731906781889698
Energy: 1.1275037047763494
Energy: 1.523531254935268
Energy: 1.1175697472375759
Energy: 1.5235312549365605

minimum gb energy = 1.1173561990590528 eV
minimum distance =  2.23383998512168 Angstroms
sigma value = 25


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

Energy: 1.2255388251817272
Energy: 1.6306436928734132
Energy: 1.4801115937346423
Energy: 1.6306436928734132
Energy: 1.4524298726071174
Energy: 1.5982964736532725
Energy: 1.0296270239031537
Energy: 1.5982964736532725
Energy: 1.1621367742770086
Energy: 1.1590028995456965
Energy: 1.5076603542475178
Energy: 1.1590028995456965
Energy: 1.2298757136761582
Energy: 1.4900558486707194
Energy: 1.0358120955901786
Energy: 1.4900558486707194
Energy: 1.0477819920759615
Energy: 1.5882621329624906
Energy: 1.1180442150755052
Energy: 1.5882621329624906
Energy: 1.5937702953452648
Energy: 1.5823221630883326
Energy: 1.0472469093210444
Energy: 1.5823221630883326
Energy: 1.0323813501606278
Energy: 1.300289118202501
Energy: 1.4350898432015866
Energy: 1.300289118202501
Energy: 1.4862644225978734
Energy: 1.5096272044763581
Energy: 1.1587022219072869
Energy: 1.5096272044763581
Energy: 1.0319829827091478
Energy: 1.5989943059265281
Energy: 1.7082307861104804
Energy: 1.5989943059265281
Energy: 1.0028692419555085
Energy: 1.5622157203871276
Energy: 1.0865722088700724
Energy: 1.5622157203871276
Energy: 1.032519889322562
Energy: 1.300752335975157
Energy: 1.519099893159141
Energy: 1.300752335975157
Energy: 1.3510199056666776
Energy: 1.628631476019939
Energy: 1.1586292714917232
Energy: 1.628631476019939
Energy: 1.0379302331724733
Energy: 1.489853955153266
Energy: 1.392371061614824
Energy: 1.489853955155285
Energy: 1.336413562289566
Energy: 1.623116437088954
Energy: 1.0469061956710533
Energy: 1.623116437088954
Energy: 1.0461386700923498
Energy: 1.4410044251899885
Energy: 1.1293904416580836
Energy: 1.4410044251899885
Energy: 1.443582946327003
Energy: 1.6926572549043155
Energy: 1.0307662850862418
Energy: 1.6926572549043155
Energy: 1.163330506743768
Energy: 1.468128009816381
Energy: 1.011011965873377
Energy: 1.468128009816381
Energy: 1.4216168105004077
Energy: 1.5886085251708488
Energy: 1.0299867456586025
Energy: 1.588608525171858
Energy: 1.2269998048569533
Energy: 1.6221354067424176
Energy: 1.0045994177575341
Energy: 1.6221354067424176
Energy: 1.6473878747054342
Energy: 1.6503518292077197
Energy: 1.0305190101230537
Energy: 1.6503518292077197
Energy: 1.1633339087310097
Energy: 1.6785914986851331
Energy: 1.0138899255454572
Energy: 1.678591498684124
Energy: 1.15774334519631
Energy: 1.4889236700627455
Energy: 1.039969675265163
Energy: 1.488923670063755
Energy: 1.0460736127449868
Energy: 1.6213707130650834
Energy: 1.3377604240083742
Energy: 1.6213707130650834
Energy: 1.1291966806721856
Energy: 1.635727599819864
Energy: 1.0463755144516051
Energy: 1.6357275998188547
Energy: 1.0301432281252834
Energy: 1.677717800307223
Energy: 1.4434484599349202
Energy: 1.677717800307223
Energy: 1.0111842826255946
Energy: 1.4761178147919383
Energy: 1.1578027781779505
Energy: 1.4761178147919383

minimum gb energy = 1.0028692419555085 eV
minimum distance =  2.15040667493068 Angstroms
sigma value = 41


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

Energy: 1.3627925354277062
Energy: 1.41152880712622
Energy: 1.3961393239181652
Energy: 1.4115288071270473
Energy: 1.3919339401260695
Energy: 1.3925612614568754
Energy: 0.9247913361269875
Energy: 1.392561261456048
Energy: 0.9523214105508888
Energy: 1.3810204663615873
Energy: 1.6681490816593556
Energy: 1.3810204663615873
Energy: 1.1910542121880514
Energy: 1.3940696839319948
Energy: 0.9247531163396873
Energy: 1.3940696839328224
Energy: 0.9183606137676561
Energy: 1.4317096314037914
Energy: 0.9969705756590418
Energy: 1.431709631402964
Energy: 0.9906664179809768
Energy: 1.3931491656002364
Energy: 0.9245697898902667
Energy: 1.3931491656010637
Energy: 0.9234078018616978
Energy: 1.393261763956195
Energy: 1.1722394823575109
Energy: 1.3932617639570226
Energy: 1.3946769966619315
Energy: 1.1859363307931905
Energy: 0.9196729519003651
Energy: 1.1859363307931905
Energy: 0.9284188246805749
Energy: 1.481651529127835
Energy: 1.4550407212885141
Energy: 1.481651529127835
Energy: 1.7851942414561675
Energy: 1.3823068700091092
Energy: 0.9536468852389827
Energy: 1.3823068700099366
Energy: 0.92353368112173
Energy: 1.3934555397907082
Energy: 1.5180736740506886
Energy: 1.3934555397907082
Energy: 0.9098043373513267
Energy: 1.4118549557338507
Energy: 1.3436445379914206
Energy: 1.4118549557338507
Energy: 0.928386327725484
Energy: 1.4827527601959913
Energy: 1.5977427448770527
Energy: 1.4827527601959913
Energy: 1.6644209249197945
Energy: 1.539680315307674
Energy: 0.9535879037469974
Energy: 1.5396803153068463
Energy: 0.923582315586715
Energy: 1.3930871099172706
Energy: 1.3317405708773231
Energy: 1.3930871099172706
Energy: 1.6508360856182727
Energy: 1.4146418249793973
Energy: 0.9196796850117251
Energy: 1.4146418249793973
Energy: 0.928348429323208
Energy: 1.4824956990293083
Energy: 1.1239495187796105
Energy: 1.4824956990301357
Energy: 1.1856630110605424
Energy: 1.5403112059099553
Energy: 0.9245816328869234
Energy: 1.5403112059107829
Energy: 0.9234596488133148
Energy: 1.185560761066606
Energy: 0.9054608609551832
Energy: 1.185560761066606
Energy: 1.1740265938336685
Energy: 1.4800857274159076
Energy: 0.9278845585358482
Energy: 1.480085727416735
Energy: 0.9571316290809722
Energy: 1.482376980953132
Energy: 0.9137453153290186
Energy: 1.4823769809523046
Energy: 1.508781582530921
Energy: 1.5584546838839914
Energy: 0.9246956226293851
Energy: 1.5584546838839914
Energy: 1.3433018763307394
Energy: 1.4079571895565453
Energy: 0.9096112752611083
Energy: 1.4079571895565453
Energy: 1.3431896406622772
Energy: 1.4808693783745965
Energy: 0.927848347154886
Energy: 1.4808693783745965
Energy: 0.9572218723872448
Energy: 1.5452492567134601
Energy: 0.9120407647656388
Energy: 1.5452492567134601
Energy: 1.3237747602858316
Energy: 1.559552441364483
Energy: 0.9247228268611485
Energy: 1.559552441364483
Energy: 0.9236336040901906
Energy: 1.4784388533040402
Energy: 1.1866757686835512
Energy: 1.4784388533032127
Energy: 0.9187813791584859
Energy: 1.4802613035498713
Energy: 0.9281530717271483
Energy: 1.4802613035506988
Energy: 0.9284542316203169
Energy: 1.5428693267012477
Energy: 1.1854340099430656
Energy: 1.5428693267012477
Energy: 0.9051047400223813
Energy: 1.5262735577752011
Energy: 0.9295525590952407
Energy: 1.5262735577752011
Energy: 0.9237951240402781
Energy: 1.4780795801445992
Energy: 1.1736502644010558
Energy: 1.4780795801454267
Energy: 0.9099221634499721
Energy: 1.479810097894054
Energy: 0.9630620096275412
Energy: 1.479810097894054

minimum gb energy = 0.9051047400223813 eV
minimum distance =  2.13398477211194 Angstroms
sigma value = 15


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

Energy: 1.3281969296599736
Energy: 1.4245980349851335
Energy: 1.3407427938573595
Energy: 1.4245980349844327
Energy: 1.4588992952665585
Energy: 1.339981847307299
Energy: 0.8639524606712126
Energy: 1.339981847306598
Energy: 0.9843929253225823
Energy: 1.3044960996375086
Energy: 1.077718448150321
Energy: 1.3044960996375086
Energy: 1.3291271679371466
Energy: 1.31530563210238
Energy: 0.8636324490157127
Energy: 1.315305632101679
Energy: 0.9537860399171495
Energy: 1.349523385603355
Energy: 0.9095742061132607
Energy: 1.3495233856019528
Energy: 1.1590647418860605
Energy: 1.3348520248622537
Energy: 0.8646554721831496
Energy: 1.3348520248622537
Energy: 0.8713866839356894
Energy: 1.271587326572786
Energy: 1.1504721679555807
Energy: 1.2715873265734872
Energy: 0.9884345187988927
Energy: 1.274074301346954
Energy: 0.8730009335262562
Energy: 1.274074301346954
Energy: 0.8661774620405771
Energy: 1.4197586895666678
Energy: 1.4166401331107503
Energy: 1.4197586895666678
Energy: 1.4233808691446868
Energy: 1.37819749065068
Energy: 0.9512870239422702
Energy: 1.3781974906485768
Energy: 0.862951319004306
Energy: 1.3350621466568207
Energy: 1.4786510713284648
Energy: 1.3350621466568207
Energy: 1.34053886271913
Energy: 1.3151619626650397
Energy: 0.9846130067006328
Energy: 1.3151619626650397
Energy: 0.8661116805485378
Energy: 1.4415152749857114
Energy: 1.585251948368366
Energy: 1.4415152749864126
Energy: 0.8370917225641473
Energy: 1.4094002445063536
Energy: 1.2207496653440437
Energy: 1.4094002445070544
Energy: 0.8629348114432787
Energy: 1.338358399933378
Energy: 1.5218430955495832
Energy: 1.338358399933378
Energy: 1.0740384608163938
Energy: 1.3069969954021365
Energy: 0.9847446289143383
Energy: 1.3069969954021365
Energy: 0.8661876910703817
Energy: 1.4041323618207322
Energy: 1.4366012109462487
Energy: 1.404132361820031
Energy: 1.0758347258047434
Energy: 1.4208005429372421
Energy: 0.9511647459458021
Energy: 1.4208005429365411
Energy: 0.8652837718634289
Energy: 1.3339809201064472
Energy: 1.2821125740414958
Energy: 1.3339809201057464
Energy: 1.1521313852395934
Energy: 1.3278334740237054
Energy: 0.8730426886387183
Energy: 1.3278334740237054
Energy: 0.8762954564817022
Energy: 1.3633299392529312
Energy: 1.1904757796197194
Energy: 1.3633299392515292
Energy: 1.1639268824076767
Energy: 1.415152550897858
Energy: 0.8700922879996325
Energy: 1.4151525508971572
Energy: 0.9525382281117568
Energy: 1.3784043019999048
Energy: 0.9209577835935702
Energy: 1.3784043020006056
Energy: 1.4783852140538776
Energy: 1.3299898410888649
Energy: 0.8638141201613825
Energy: 1.3299898410888649
Energy: 0.9862981812475826
Energy: 1.4074332728684933
Energy: 0.8393960435921956
Energy: 1.407433272867792
Energy: 1.454070590730052
Energy: 1.4173465842944533
Energy: 0.869809981779161
Energy: 1.4173465842937523
Energy: 1.3127412413419353
Energy: 1.4189849042119183
Energy: 0.8360192925850016
Energy: 1.4189849042119183
Energy: 1.5901788939947925
Energy: 1.33353665365174
Energy: 0.8638546419627766
Energy: 1.33353665365174
Energy: 0.9860487168384658
Energy: 1.4443202423660153
Energy: 0.8401116573282728
Energy: 1.4443202423653143
Energy: 1.2879852468810635
Energy: 1.4009267645423604
Energy: 0.8698245637935078
Energy: 1.4009267645423604
Energy: 0.9527829903041715
Energy: 1.4182476279216008
Energy: 1.0759086602068928
Energy: 1.4182476279216008
Energy: 1.2753557514998204
Energy: 1.3426638505461903
Energy: 0.8678018085721596
Energy: 1.3426638505468913
Energy: 0.8760985880521815
Energy: 1.4502182095074354
Energy: 1.1594123495585937
Energy: 1.4502182095081364
Energy: 0.9296788304042514
Energy: 1.362106155450763
Energy: 0.880674960018183
Energy: 1.362106155451464
Energy: 0.85721820597334
Energy: 1.4193783503042412
Energy: 1.1622535228616002
Energy: 1.4193783503042412
Energy: 0.9210308762661051
Energy: 1.3730355209359595
Energy: 0.9560088308265805
Energy: 1.3730355209359595
Energy: 0.866109324540376
Energy: 1.4507293398881174
Energy: 1.4884855055286323
Energy: 1.4507293398881174

minimum gb energy = 0.8360192925850016 eV
minimum distance =  2.22974692048204 Angstroms
sigma value = 85


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

Energy: 1.1503792972774038
Energy: 1.3178652080185211
Energy: 1.3613251322988518
Energy: 1.317865208017913
Energy: 1.448779550664357
Energy: 1.244331637196098
Energy: 0.7926133979795171
Energy: 1.2443316371967057
Energy: 1.1155797411444868
Energy: 1.1035629040110155
Energy: 1.4635483201019963
Energy: 1.1035629040134474
Energy: 1.306138182337403
Energy: 1.2442839839452917
Energy: 0.7925532454677708
Energy: 1.2442839839452917
Energy: 0.8305080705409796
Energy: 1.13568902840576
Energy: 1.2671632358696407
Energy: 1.13568902840576
Energy: 1.1631892387208431
Energy: 1.2208926274920753
Energy: 0.7924525092673835
Energy: 1.2208926274902514
Energy: 0.7884117263942343
Energy: 1.1246087368506597
Energy: 0.9550534597165837
Energy: 1.1246087368506597
Energy: 1.0198589637064348
Energy: 1.2418260774826344
Energy: 0.7925692721148788
Energy: 1.2418260774832424
Energy: 0.7917150488487172
Energy: 1.150844613930177
Energy: 1.1116468967569104
Energy: 1.1508446139307846
Energy: 0.8765270967576013
Energy: 1.1249738731977617
Energy: 0.7892178639960155
Energy: 1.1249738731971537
Energy: 0.7918559482990265
Energy: 1.245389023141626
Energy: 1.2577182992997777
Energy: 1.245389023141018
Energy: 1.2672695339217652
Energy: 1.2425045020427135
Energy: 0.8313709239525705
Energy: 1.2425045020433214
Energy: 0.7918000443894169
Energy: 1.0858463332278132
Energy: 1.3636583340146378
Energy: 1.0858463332290291
Energy: 1.4579923567806516
Energy: 1.1035561536342988
Energy: 1.109490270862213
Energy: 1.1035561536342988
Energy: 0.7919514308605367
Energy: 1.244385855345081
Energy: 1.4889018627454897
Energy: 1.244385855344473
Energy: 0.7535380574703764
Energy: 1.3057990948919636
Energy: 1.1554489948384512
Energy: 1.3057990948919636
Energy: 0.7919603040593665
Energy: 1.1514516298625945
Energy: 1.4881187896474926
Energy: 1.1514516298625945
Energy: 1.465583905470636
Energy: 1.1036712022099642
Energy: 1.1095283592322516
Energy: 1.1036712022099642
Energy: 0.7920968052974352
Energy: 1.2447134207187533
Energy: 1.3560105800556304
Energy: 1.2447134207181454
Energy: 1.4572428431740043
Energy: 1.4033047621799795
Energy: 0.8314328221973565
Energy: 1.4033047621799795
Energy: 0.7915707870247651
Energy: 1.1512317533137792
Energy: 1.2019457456026788
Energy: 1.1512317533137792
Energy: 0.9554014293735414
Energy: 1.164924336345494
Energy: 0.7892702002984333
Energy: 1.164924336345494
Energy: 0.7925608657589418
Energy: 1.2419338254229786
Energy: 1.0649504953968032
Energy: 1.2419338254229786
Energy: 0.9675566515157579
Energy: 1.3298335413139004
Energy: 0.7926013732237819
Energy: 1.3298335413139004
Energy: 0.7917378021648446
Energy: 0.9668801246191305
Energy: 0.9138697278548892
Energy: 0.9668801246185226
Energy: 1.2571701587902813
Energy: 1.2421840593513616
Energy: 0.7932607590596135
Energy: 1.2421840593513616
Energy: 0.83373301424432
Energy: 1.242364384627929
Energy: 0.7519626320437025
Energy: 1.2423643846285373
Energy: 1.2532093537606181
Energy: 1.3290814808346023
Energy: 0.7925748959639579
Energy: 1.3290814808346023
Energy: 1.1029334583959083
Energy: 1.1036507198602121
Energy: 0.75787920734413
Energy: 1.1036507198596042
Energy: 1.488984558715559
Energy: 1.244750133599367
Energy: 0.7916566744433918
Energy: 1.2447501335999747
Energy: 1.1493290022808218
Energy: 1.3051527100554285
Energy: 0.7552425741089491
Energy: 1.3051527100554285
Energy: 1.3815480765908654
Energy: 1.3291057266660107
Energy: 0.7926834951631561
Energy: 1.3291057266660107
Energy: 1.1028881957025563
Energy: 1.103027661201861
Energy: 0.7590016202210672
Energy: 1.103027661201253
Energy: 1.3564171608253852
Energy: 1.2450359650332552
Energy: 0.791641435484945
Energy: 1.2450359650332552
Energy: 0.8335837893049507
Energy: 1.32840401853842
Energy: 0.9626065841754725
Energy: 1.328404018537812
Energy: 1.0714923180062341
Energy: 1.3283074272972228
Energy: 0.7924680901690804
Energy: 1.3283074272972228
Energy: 0.7919245963638187
Energy: 1.127849170774534
Energy: 0.9591697772450332
Energy: 1.1278491707739258
Energy: 1.0654267318807935
Energy: 1.2415904417357653
Energy: 0.7931287413279801
Energy: 1.2415904417357653
Energy: 0.7925393350264238
Energy: 1.3277395714357423
Energy: 0.9666423003699064
Energy: 1.3277395714357423
Energy: 0.7619772603696271
Energy: 1.2657609063300665
Energy: 0.7884029048515422
Energy: 1.2657609063306745
Energy: 0.7916128059278977
Energy: 1.212447733931898
Energy: 1.2574864747683874
Energy: 1.212447733931898
Energy: 0.7518419634239835
Energy: 1.2413773268231225
Energy: 0.830597952138838
Energy: 1.2413773268231225
Energy: 0.7918569677792003
Energy: 1.3276664429931087
Energy: 1.2544532520703657
Energy: 1.3276664429931087

minimum gb energy = 0.7518419634239835 eV
minimum distance =  2.24074322929588 Angstroms
sigma value = 113


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

Energy: 0.020516927162615245
Energy: 0.021419582621477667
Energy: 1.1176024228505372
Energy: 0.021419582621010267
Energy: 1.1180116520904093
Energy: 0.435001873315766
Energy: 0.43516630475576074
Energy: 0.435001873315766
Energy: 0.020516927162615245
Energy: 0.021419582621010267
Energy: 1.1176336807895537
Energy: 0.021419582621010267
Energy: 1.118011652089942
Energy: 0.435001873315766
Energy: 0.43516631402127326
Energy: 0.435001873315766
Energy: 0.020516927162615245
Energy: 0.021419582621010267
Energy: 1.1176348029764236
Energy: 0.021419582621010267
Energy: 1.118011652089942
Energy: 0.435001873315766
Energy: 0.43516630626552033
Energy: 0.435001873315766

minimum gb energy = 0.020516927162615245 eV
minimum distance =  2.48408830022491 Angstroms
sigma value = 1