Model name: model_name=MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014499071
mass=58.6934
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=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.022155128473968652
Energy: 0.022954024237875244
Energy: 1.8043304232043393
Energy: 1.3689176004371835
Energy: 1.3927183016502864
Energy: 0.5004065575858374
Energy: 0.022774217212104767
Energy: 0.022863082161955588
Energy: 1.3900503981484178
Energy: 0.40138176160062145
Energy: 0.8713874167832516
Energy: 0.9743885846228745
Energy: 0.023296759700325142
Energy: 0.15439854391499416
Energy: 0.02260087333976938
Energy: 1.3904719388715174
Energy: 1.2162008842456837
Energy: 1.218375992100831
Energy: 0.8723342252288615
Energy: 0.15293575790153582
Energy: 0.15458625364842737
Energy: 0.02554136066280014
Energy: 0.8730819788539828
Energy: 1.2161133745902653
Energy: 1.3689067968966369
Energy: 1.4014864903878186
Energy: 0.15348750526269347
Energy: 0.02315301511183773
Energy: 1.69569568568307
Energy: 1.3947850211571247
Energy: 0.4013243846760267
Energy: 0.8713421817746569
Energy: 0.9742294104783734
Energy: 0.022922906604618574
Energy: 0.15252333765829057
Energy: 0.022585553270390964
Energy: 1.2778947023226963
Energy: 1.2152093240091135
Energy: 1.2178174664452126
Energy: 1.1010485030217323
Energy: 0.15280524233354384
Energy: 0.1545609561294521

minimum gb energy = 0.022155128473968652 eV
minimum distance =  2.46822096157399 Angstroms
sigma value = 5


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

Energy: 1.7729753824373011
Energy: 1.6864553470461625
Energy: 1.884135639536923
Energy: 2.067193037759716
Energy: 1.9806166919712311
Energy: 1.9230574713369242
Energy: 1.7745680013422114
Energy: 1.6037557582781305
Energy: 1.8941029144932164
Energy: 1.662024363692558
Energy: 2.0382029108400435
Energy: 1.932258810089422
Energy: 1.7031599415414118
Energy: 1.9160810239692452
Energy: 1.9118111665951978
Energy: 1.8942718406239523
Energy: 1.9155218534872591
Energy: 1.935366225409147
Energy: 1.8191416931593
Energy: 1.9145222355680387
Energy: 1.8050831437542951
Energy: 1.6699842688919342
Energy: 1.9663652608049502
Energy: 1.7208767155228075
Energy: 1.8820920314906855
Energy: 1.9028895326783548
Energy: 1.6494740288516483
Energy: 1.859494730485569
Energy: 1.8845228347852085
Energy: 1.7740942393246724
Energy: 1.769491064027778
Energy: 1.6504277676750991
Energy: 1.8114730059387039
Energy: 1.919023404390683
Energy: 1.9150414403599925
Energy: 1.7436927472216466
Energy: 1.7536839076117159
Energy: 1.7095344916414743
Energy: 1.6408333026177875
Energy: 1.9479016404280163
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Energy: 1.877997928028123
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Energy: 1.9774430374746907
Energy: 1.801479532309491
Energy: 1.8708593560344804
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Energy: 1.834542060549521
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Energy: 1.9587582183107577
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Energy: 1.8627173048163546
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Energy: 1.808743836678622
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Energy: 1.7628001214418327
Energy: 1.9360335329639167
Energy: 1.8408063605337455
Energy: 1.7679825701296201
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Energy: 1.6337190088774298
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Energy: 1.9745001400281075
Energy: 1.7777431591372301
Energy: 1.8927971177851595
Energy: 1.7618746228903768
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Energy: 1.8854136047129495
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Energy: 1.7923385271125578
Energy: 1.8007517639614041
Energy: 1.6709097467702707
Energy: 1.9612366276843494
Energy: 1.736572362147762
Energy: 1.8801704091120055
Energy: 1.783360268040523
Energy: 1.7932244409908962
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Energy: 1.8440740717806368
Energy: 1.7697115783043396
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Energy: 1.8380540137396544
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Energy: 1.7463309721163887
Energy: 1.7722562188282602
Energy: 1.7692857659487449
Energy: 1.655668904638063
Energy: 1.903695999400835
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Energy: 1.8520142386523848
Energy: 1.8481120468753864
Energy: 1.7614407916837465
Energy: 1.92731508858428
Energy: 1.8431339152290829
Energy: 1.8954296420522991
Energy: 1.688971812639505
Energy: 1.8373604407663764
Energy: 1.7577975546514228
Energy: 1.850389159175969
Energy: 1.8229980049289132
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Energy: 1.7711589200677185
Energy: 1.964866704885353
Energy: 1.6524164284121543
Energy: 1.7835530853951493
Energy: 1.7213728716519578
Energy: 1.9068171073976685
Energy: 1.9223139904324846
Energy: 1.833802972771576
Energy: 1.7756766734029301
Energy: 1.6612422872591561
Energy: 1.6433860128892634
Energy: 1.893546317006499
Energy: 1.9692146151238565
Energy: 1.643988234033053
Energy: 1.8876056391788578
Energy: 1.8500202371195669
Energy: 1.7355237332377529
Energy: 1.8090453460422993
Energy: 1.7582404861763554
Energy: 1.7317553201202103
Energy: 1.8378980225019308
Energy: 1.9096102646564512
Energy: 1.6871562502906472
Energy: 1.8736712863912084
Energy: 1.6743303543431376
Energy: 1.7175810972563623
Energy: 1.905942173622727
Energy: 1.6774490325092402
Energy: 1.7315896838222602
Energy: 1.8413594193895209
Energy: 1.8133935572510598
Energy: 1.8531064747588697
Energy: 1.8229747754608752
Energy: 1.8947380348334633
Energy: 1.9174669955553256
Energy: 1.7488666716584362
Energy: 1.6613924363095327
Energy: 1.7733678408865126
Energy: 1.7741387236424622
Energy: 2.029804829088075
Energy: 1.8446199453986911
Energy: 1.656079338443877
Energy: 1.957583029969203
Energy: 1.7711031510676145
Energy: 1.7138372493429124
Energy: 1.8669363749889993
Energy: 1.911987519905175
Energy: 1.882829306138924
Energy: 1.7652961912594514
Energy: 1.7220809734544569

minimum gb energy = 1.6037557582781305 eV
minimum distance =  2.21871176932758 Angstroms
sigma value = 401


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

Energy: 1.7045936400661645
Energy: 1.6404868330939244
Energy: 1.8770156096823047
Energy: 1.964895848579948
Energy: 2.047473604597193
Energy: 1.688644518459679
Energy: 1.7238877158247494
Energy: 1.6666135009130119
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Energy: 2.00890296360524
Energy: 1.9225649629299413
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Energy: 1.758785899207541
Energy: 1.79415405922059
Energy: 1.785280593704568
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Energy: 1.829701951435358
Energy: 1.9242492677115015
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Energy: 1.6374317499000466
Energy: 1.759969630090946
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Energy: 1.9647906845931158
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Energy: 1.6977833413372088
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Energy: 1.8343543452035735
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Energy: 1.871958631599158
Energy: 1.7206009090369294
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Energy: 1.658127657514774
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Energy: 1.6772519343908174
Energy: 1.6957130709142827
Energy: 1.7303948089269074
Energy: 1.7266587752978346
Energy: 1.706762998583544
Energy: 1.9406590792180962
Energy: 1.7586852987133075
Energy: 1.739670525551565
Energy: 1.8457570615696155
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Energy: 1.7962875164076415
Energy: 1.8076623896777149
Energy: 1.804493718220397
Energy: 1.8880342917059636
Energy: 1.8295150069541706
Energy: 1.9165223334216195
Energy: 1.8103207230956786
Energy: 1.7036367803698773
Energy: 1.719182581784447
Energy: 1.7969159151333038
Energy: 1.7469748038248458
Energy: 1.9079664666372178
Energy: 1.8826856336263376
Energy: 1.664760465659191
Energy: 1.738731438654584
Energy: 1.6791256827494845
Energy: 1.732574050155561
Energy: 1.9709559201504907
Energy: 1.8446358410938157
Energy: 1.809939600915628
Energy: 1.6705943257652347
Energy: 1.8339116061496183
Energy: 1.8022507553914582
Energy: 1.682128021929599
Energy: 1.6421957454896583
Energy: 1.8196805937291995
Energy: 1.9528769100629897
Energy: 1.8116954020849578
Energy: 1.800729302409177
Energy: 1.854270230398912
Energy: 1.8968712390196265
Energy: 1.8945161478538743
Energy: 1.9798767691653776
Energy: 1.7046003301971908
Energy: 1.8228303523097376
Energy: 1.7073275751477512
Energy: 1.8513241480127656
Energy: 1.7911711361568639
Energy: 1.8440442352250266
Energy: 1.7127094013356923
Energy: 1.694726150022351
Energy: 1.7366005135423914
Energy: 1.830363510091029
Energy: 2.107489372317594
Energy: 1.8761923345869163
Energy: 1.6796972674652793
Energy: 1.7366069528545454
Energy: 1.6673842115959814
Energy: 1.6535097894868738
Energy: 1.9362955980570817
Energy: 1.7248251353276423
Energy: 1.716902544148044
Energy: 1.7314617522734932
Energy: 1.6702582341898102
Energy: 1.6721176767130304
Energy: 1.6633990519607962
Energy: 1.8742154014968895
Energy: 1.648199332277097
Energy: 1.991428197725301
Energy: 1.8495472364398156
Energy: 1.6721417995904724
Energy: 1.6891548228431699
Energy: 1.6384147823686468
Energy: 1.722323567217712
Energy: 1.6316779613715182
Energy: 1.9906738245912359
Energy: 1.7367867880492371
Energy: 1.7359499040224096
Energy: 1.8399479857752024
Energy: 1.9581779614200931
Energy: 1.7909268300691492
Energy: 1.8867582617411964
Energy: 1.7710723555011791
Energy: 1.8744750241600663
Energy: 1.7508281113879456
Energy: 1.728738812590279
Energy: 1.6517782344061323
Energy: 1.6970222381624747
Energy: 1.681316515313328
Energy: 1.728061885456472
Energy: 1.6623075448928537
Energy: 1.9347610109206956
Energy: 1.8848288562785651
Energy: 1.7152013857840063
Energy: 1.7286456911477714
Energy: 1.7233232730233867
Energy: 1.7819532638715045
Energy: 1.956459907395183
Energy: 1.9799237681775943
Energy: 1.7538041322964046
Energy: 1.7443952682386161
Energy: 1.6900403089384513
Energy: 1.8482684385326562
Energy: 1.6714812763554319
Energy: 1.6455335679387992
Energy: 1.9582255028100353
Energy: 1.9476292393817456
Energy: 1.7676002504974495
Energy: 1.8536823912198321
Energy: 1.8238092838439128
Energy: 1.7233064313715372
Energy: 1.8978147062893211
Energy: 1.9518272738265228
Energy: 1.7049465949929945
Energy: 1.7965547970111728
Energy: 1.699570761772412
Energy: 1.6842110949972862
Energy: 1.793688411232347
Energy: 1.8329659011434647
Energy: 1.7096218022038414
Energy: 1.6630311954261585
Energy: 1.7841714639088766
Energy: 1.9283609360208374
Energy: 1.7861760171091856
Energy: 1.8953725336465055
Energy: 1.9461067736621418
Energy: 1.8156668073401219
Energy: 1.665053029966572
Energy: 1.6888258957118054
Energy: 1.9189951010318558
Energy: 1.8209423416245727
Energy: 1.6538184020849163
Energy: 1.7648770073542264
Energy: 1.7065412559645614

minimum gb energy = 1.6316779613715182 eV
minimum distance =  2.22465599221892 Angstroms
sigma value = 311


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

Energy: 1.8052042879181878
Energy: 1.746368392485604
Energy: 1.792751349953078
Energy: 1.6771629660174845
Energy: 1.8160303727373632
Energy: 1.7985010309319276
Energy: 1.8053664877778446
Energy: 1.7370345403166318
Energy: 1.8284035430224763
Energy: 1.705484930958107
Energy: 1.7699945058196267
Energy: 1.7429205522773838
Energy: 1.7449637232086623
Energy: 1.8334573183718128
Energy: 1.8117337229516965
Energy: 1.6748082373234916
Energy: 1.6916003940337703
Energy: 1.7527044034015837
Energy: 1.8084957752801425
Energy: 1.7221826137450944
Energy: 1.805946847149359
Energy: 1.6505642085683054
Energy: 1.8702812277984096
Energy: 1.709872454550018
Energy: 1.7461122605213104
Energy: 1.7466533669025002
Energy: 1.651473533592888
Energy: 1.923955720787603
Energy: 1.8050158845443567
Energy: 1.8652366074247597
Energy: 1.788040187590341
Energy: 1.808715628331056
Energy: 1.8129438224505974
Energy: 1.8531433832863573
Energy: 1.7606298950173054
Energy: 1.67585787142158
Energy: 1.7621879028431753
Energy: 1.7334413061112801
Energy: 1.749144797232649
Energy: 1.7300553693977503
Energy: 1.82962996009384
Energy: 1.7716815641047026
Energy: 1.816812270462588
Energy: 1.7603371773392438
Energy: 1.8184952412719984
Energy: 1.7630252736344587
Energy: 1.8375418841458684
Energy: 1.8103200310112426
Energy: 1.715480052241963
Energy: 1.800814369089935
Energy: 1.866121339222387
Energy: 1.7552354438624267
Energy: 1.766260596694686
Energy: 1.8674708121671935
Energy: 1.7289692579706812
Energy: 1.6913905866872143
Energy: 1.8000268298987059
Energy: 1.7761622952044565
Energy: 1.775498510745466
Energy: 1.680571393207935
Energy: 1.7236395496090313
Energy: 1.7711226818188663
Energy: 1.6380558696709806
Energy: 1.6501826419178656
Energy: 1.7777524575900912
Energy: 1.6488846562237922
Energy: 1.778268898873015
Energy: 1.8357820144888324
Energy: 1.733306836479854
Energy: 1.7856986206665457
Energy: 1.888637076308427
Energy: 1.8749305971201626
Energy: 1.8241930798619852
Energy: 1.8668263418289106
Energy: 1.7805970633720178
Energy: 1.8238687134982277
Energy: 1.805675879906359
Energy: 1.673432011759317
Energy: 1.8314458394975528
Energy: 1.7298709176097449
Energy: 1.700821043006487
Energy: 1.7082189779897852
Energy: 1.7755335002546757
Energy: 1.6967183637946328
Energy: 1.8174357685171212
Energy: 1.862246738865302
Energy: 1.8241636480450019
Energy: 1.7612954139428219
Energy: 1.826759353977069
Energy: 1.80039170797455
Energy: 1.7006425128438176
Energy: 1.7293476241842658
Energy: 1.8084731765540225
Energy: 1.8321763998928835
Energy: 1.7854082874628294
Energy: 1.84788457346666
Energy: 1.7575313895171842
Energy: 1.8164512179129375
Energy: 1.7483084135551792
Energy: 1.6765476235101013
Energy: 1.8042544762063193
Energy: 1.7972500661959177
Energy: 1.8574387945277917
Energy: 1.703908515611502
Energy: 1.7306714453043968
Energy: 1.6852220191053648
Energy: 1.8949780629802184
Energy: 1.6364647270937918
Energy: 1.7661535315234906
Energy: 1.7256458936386614
Energy: 1.7120120875023899
Energy: 1.8015621805712005
Energy: 1.861491635740401
Energy: 1.913436917807821
Energy: 1.883114781161612
Energy: 1.8522514467988027
Energy: 1.7973575114811862
Energy: 1.9031115972893962
Energy: 1.7722052290800043
Energy: 1.6905921845294747
Energy: 1.8168005044077817
Energy: 1.7894155647909002
Energy: 1.74255362082966
Energy: 1.7297767341925696
Energy: 1.7100696837531408
Energy: 1.7675393824912051
Energy: 1.8243057226191626
Energy: 1.770129198054115
Energy: 1.815180867670604
Energy: 1.807642793573047
Energy: 1.9100754111138718
Energy: 1.8061712369165395
Energy: 1.7844766097005713
Energy: 1.7620635808483518
Energy: 1.8332148808716027
Energy: 1.7847732138209376
Energy: 1.8430665082458388
Energy: 1.9333719272184922
Energy: 1.7817307008778824
Energy: 1.84195697301336
Energy: 1.7593670006081652
Energy: 1.7152789235178756
Energy: 1.808710645108062
Energy: 1.887088066132715
Energy: 1.857204115408671
Energy: 1.800253826821189
Energy: 1.7324172826833042
Energy: 1.6513904799451518
Energy: 1.7895603594087681
Energy: 1.82105317543094
Energy: 1.755912006074773
Energy: 1.749743202594069
Energy: 1.7358527512131714
Energy: 1.772767987364529
Energy: 1.9062137027262283
Energy: 1.8390849256499637
Energy: 1.8993507852971483
Energy: 1.8674923330006123
Energy: 1.8052100336634063
Energy: 1.8923478044835633
Energy: 1.815893816326456
Energy: 1.7167466095826776
Energy: 1.8476783367488716
Energy: 1.8492810988111896
Energy: 1.6984867047659176
Energy: 1.7052323528588988
Energy: 1.7237243389348238
Energy: 1.789770159592272
Energy: 1.8167616938401971
Energy: 1.8014769332289555
Energy: 1.8880725999803993
Energy: 1.9342257157284148
Energy: 1.9054687847707326
Energy: 1.7888799888342586
Energy: 1.7564648971307706
Energy: 1.7550474619382193
Energy: 1.8738846250066492
Energy: 1.8377608819369105
Energy: 1.816987482083068
Energy: 1.8676238780230126
Energy: 1.7747126695158135
Energy: 1.8103329397846204
Energy: 1.7824578183842104
Energy: 1.758475691568594
Energy: 1.8084480635212126
Energy: 1.683209137261784
Energy: 1.9134551146556933
Energy: 1.7940829336032371
Energy: 1.7737994980910958
Energy: 1.7180753606363142
Energy: 1.8132383536129155
Energy: 1.723195081231684
Energy: 1.6731031652924415
Energy: 1.7928508174895885
Energy: 1.725814485273841
Energy: 1.7280483510956743
Energy: 1.865743701778234
Energy: 1.871216070784265
Energy: 1.8197108868355198
Energy: 1.8907729919561498
Energy: 1.7745020234727602
Energy: 1.8647090301902993
Energy: 1.763522937721735
Energy: 1.7140582786072436
Energy: 1.8250205653753593
Energy: 1.7484311081411967
Energy: 1.768383441367616
Energy: 1.8903497649796472
Energy: 1.8009875571320968
Energy: 1.7538083191117197
Energy: 1.8140749522278388
Energy: 1.7306553210448754
Energy: 1.7865226815932291
Energy: 1.7321868928122965
Energy: 1.8717528212174834
Energy: 1.7758556047625262
Energy: 1.7240252786492911
Energy: 1.7678802689688418
Energy: 1.8022488908116243
Energy: 1.8410778240956178
Energy: 1.7666388010986378
Energy: 1.9426725225065142
Energy: 1.8250414856603512
Energy: 1.7998942875197614
Energy: 1.7977009713339462
Energy: 1.753591879574571
Energy: 1.7714799873578049
Energy: 1.7287775878256464
Energy: 1.8866544682955337
Energy: 1.7987641819578293
Energy: 1.8160474953690293
Energy: 1.7774877137306122
Energy: 1.7947014067508458
Energy: 1.744298491340845
Energy: 1.7081043599799322
Energy: 1.7893925395954617
Energy: 1.7310232031823158
Energy: 1.8265573453456505
Energy: 1.8652217994565583
Energy: 1.8928891742375098
Energy: 1.7877561621283715
Energy: 1.8557750136257891
Energy: 1.738962695185684
Energy: 1.8510535987236485
Energy: 1.8277090152262867
Energy: 1.7718193535892917
Energy: 1.88610777211558
Energy: 1.7792038345450478
Energy: 1.725048261733501
Energy: 1.7657983351990751
Energy: 1.7528083002570576
Energy: 1.8914617171250643

minimum gb energy = 1.6364647270937918 eV
minimum distance =  2.21872518108474 Angstroms
sigma value = 39


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

Energy: 1.615382050752956
Energy: 1.6228548678295542
Energy: 2.015027471301311
Energy: 1.9201657806673937
Energy: 1.8299886521371704
Energy: 1.7278389539671553
Energy: 1.558039109129597
Energy: 1.5618353617067082
Energy: 1.7343386271473458
Energy: 1.7201808773722325
Energy: 1.6098164285551408
Energy: 1.6000376302251034
Energy: 1.651847309594193
Energy: 1.6777123754994379
Energy: 1.6500954854139067
Energy: 1.6375652779081127
Energy: 1.7320186998442568
Energy: 1.6065842990252546
Energy: 1.5987549616806878
Energy: 1.6666361712634414
Energy: 1.7684989615132403
Energy: 1.626824541181617
Energy: 1.6186131589054524
Energy: 1.7048625858274347
Energy: 1.7238707907761648
Energy: 1.627048816232224
Energy: 1.7183893954046496
Energy: 1.7751479213502188
Energy: 1.6681379357313766
Energy: 1.5988558538848987
Energy: 1.6903941652578285
Energy: 1.711826454839112
Energy: 1.6275722717391583
Energy: 1.9514969911901072
Energy: 1.6674698341890617
Energy: 1.5598945288761286
Energy: 1.597930946466888
Energy: 1.7108093365375514
Energy: 1.8788134982510258
Energy: 1.7624320969998286
Energy: 1.6773918752994779
Energy: 1.6673265991804165
Energy: 1.9589605427273313
Energy: 1.7780935060131349
Energy: 1.676986908816346
Energy: 1.8599391903073101
Energy: 1.5599008631129223
Energy: 1.560940169596907
Energy: 1.6532975851392289
Energy: 1.5575059885253824
Energy: 1.7375071943567568
Energy: 1.9844059062157915
Energy: 1.7472308622451194
Energy: 1.7857488282804532
Energy: 1.7374999089728125
Energy: 1.6667882616904097
Energy: 1.5601248548352538
Energy: 1.738035871729716
Energy: 1.9253744406912883
Energy: 1.6197472575323577
Energy: 1.5981838383427225
Energy: 1.9184818228382972
Energy: 1.667246178446176
Energy: 1.9596439784005981
Energy: 1.718302238732445
Energy: 1.7179770626874347
Energy: 1.6086815734703075
Energy: 1.6013505545286193
Energy: 1.6515534879583107
Energy: 1.6667703025509868
Energy: 1.6244187159235228
Energy: 1.6174203862481615
Energy: 1.6999305223683003
Energy: 1.619038722815194
Energy: 1.598889287628263
Energy: 1.6880053652469573
Energy: 1.7788781285063815
Energy: 1.666414339011653
Energy: 1.598098656642042
Energy: 1.6833812503161334
Energy: 1.6489253960459396
Energy: 1.62801534002374
Energy: 1.6945352233632565
Energy: 1.6798217939321454
Energy: 1.5583819423771201
Energy: 1.6001178197025865
Energy: 1.7326535619603058
Energy: 1.7687036156559983
Energy: 1.743616719341699
Energy: 1.7369388766270197
Energy: 1.6664736049322117
Energy: 1.740737686393897
Energy: 1.6182726420723625
Energy: 1.7120352181743588
Energy: 1.862572350510611
Energy: 1.5606269864464353
Energy: 1.5589691506802539
Energy: 1.691683226779969
Energy: 1.5577087521349091
Energy: 1.7303919840090676
Energy: 1.67672051344011
Energy: 1.8625782255588956
Energy: 1.5613758861223692
Energy: 1.5587299915315518
Energy: 1.678055788991932
Energy: 1.557261305257469
Energy: 1.8480464936547953
Energy: 1.94556566219645
Energy: 1.6933398728348372
Energy: 1.828844728900124
Energy: 1.733354331676421
Energy: 1.5579513735180084
Energy: 1.6493071108030812
Energy: 1.733719537934855
Energy: 1.7187837387794669
Energy: 1.630558082985152
Energy: 1.599903570012183
Energy: 1.6515776908513065
Energy: 1.6795252366094322
Energy: 1.6502018332679387
Energy: 1.6371609140171033
Energy: 1.6881572453680702
Energy: 1.6069158581845795
Energy: 1.5984539106688587
Energy: 1.666547460956951
Energy: 1.7678286410450297
Energy: 1.6261417939455314
Energy: 1.639446022079456
Energy: 1.7051460427258147
Energy: 1.7232063568049756
Energy: 1.6269936362046817
Energy: 1.7185068380102797
Energy: 1.775544127151503
Energy: 1.6684443312172919
Energy: 1.5987208067148704
Energy: 1.6906268940534221
Energy: 1.712757869963015
Energy: 1.627143116777205
Energy: 1.9510711367935523
Energy: 1.6672729726383375
Energy: 1.559008608624476
Energy: 1.5976649523913653
Energy: 1.7108666392999228
Energy: 1.8788845740992566
Energy: 1.761875201898574
Energy: 1.5588981243308992
Energy: 1.666684387765423
Energy: 1.9580180985773172
Energy: 1.750924505858195
Energy: 1.6763278329197207
Energy: 1.8447492552363007
Energy: 1.5596155916950531
Energy: 1.5614138412776577
Energy: 1.6919761976319236
Energy: 1.561954964206049
Energy: 1.7351903791701948
Energy: 1.9858664939680584
Energy: 1.74663572642515
Energy: 1.7871156481044748
Energy: 1.7374617984511167
Energy: 1.668188031531409
Energy: 1.5594872391649515
Energy: 1.7394252953775216
Energy: 1.9254801904153838
Energy: 1.6193037692721548
Energy: 1.5980110483021988
Energy: 1.717482607407378
Energy: 1.667304277377282
Energy: 1.9575308614402473
Energy: 1.7201439509870524
Energy: 1.717822494210489
Energy: 1.609828029230412
Energy: 1.5987054546815918
Energy: 1.6508574299245387
Energy: 1.6665346674504857
Energy: 1.6241536251333684
Energy: 1.6176340563868905
Energy: 1.7000151370416645
Energy: 1.6197307679699384
Energy: 1.5993572315457445
Energy: 1.7162254359524234
Energy: 1.7778639293057565
Energy: 1.6678063980381443
Energy: 1.5985537406416634
Energy: 1.68229058158992
Energy: 1.6488290129849634
Energy: 1.6285207900613503
Energy: 1.6951880071258916
Energy: 1.6795003788839364
Energy: 1.5587018469203286
Energy: 1.5998143068146244
Energy: 1.7329786108643064
Energy: 1.7684959065813297
Energy: 1.743222220238595
Energy: 1.7370083272532801
Energy: 1.6681729783031463
Energy: 1.7409630822049185
Energy: 1.618292310558129
Energy: 1.71223032034663
Energy: 1.8627520232036194
Energy: 1.5604440415194099
Energy: 1.5589312402011357
Energy: 1.6906746701786124
Energy: 1.5591534681059922
Energy: 1.7323991995174322
Energy: 1.6767103761259692
Energy: 1.8796121777482588
Energy: 1.5615550589420732
Energy: 1.5585577124641992
Energy: 1.6778062421961508

minimum gb energy = 1.557261305257469 eV
minimum distance =  2.23304623175283 Angstroms
sigma value = 21


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

Energy: 2.009016848496525
Energy: 1.7678653171001275
Energy: 1.6477303378180572
Energy: 1.8540623851171487
Energy: 1.787919046177856
Energy: 1.6856394540793416
Energy: 1.6573900347350197
Energy: 1.6547110648476089
Energy: 1.829735324325472
Energy: 1.8711711185075817
Energy: 1.8633447966626302
Energy: 1.9394455591126674
Energy: 1.833044500528466
Energy: 1.8322015822338875
Energy: 1.890176042018331
Energy: 1.7274789456172117
Energy: 1.645655669218191
Energy: 1.9306653492309276
Energy: 1.572159999807918
Energy: 1.5719802348966618
Energy: 1.850628444525989
Energy: 1.7908057615497341
Energy: 1.8423967636032237
Energy: 1.7221168463705194
Energy: 1.8034721369257205
Energy: 1.693217953750978
Energy: 1.6336127519844827
Energy: 1.8495996733609252
Energy: 1.5724797729761426
Energy: 1.7204313671226774
Energy: 1.6640343103698145
Energy: 1.5818620380524266
Energy: 1.6360582185462742
Energy: 1.628642471056918
Energy: 1.5903259801040133
Energy: 1.556296377648263
Energy: 1.6314456947898592
Energy: 1.6238806635439589
Energy: 1.7133781651844215
Energy: 1.5979206141035138
Energy: 1.5835993159363326
Energy: 1.6436163666980845
Energy: 1.9807225724627842
Energy: 1.6748922002509
Energy: 1.635444972118243
Energy: 1.735326719596717
Energy: 1.5891458062277768
Energy: 1.557436491121069
Energy: 1.6564728576494718
Energy: 1.634331244903883
Energy: 1.6069111126362439
Energy: 1.6460439739265704
Energy: 1.77609190136463
Energy: 1.5719293386699424
Energy: 1.5733355131865563
Energy: 1.704021319667983
Energy: 1.6268571516412897
Energy: 1.7670622979133086
Energy: 1.8535408128777433
Energy: 1.6600264771167994
Energy: 1.9866411386753409
Energy: 2.0870474147835014
Energy: 2.0326317601143606
Energy: 1.5716735693693213
Energy: 1.8695333764983737
Energy: 1.6493200002828898
Energy: 1.8549244289831097
Energy: 1.66603970145961
Energy: 1.8904562612372147
Energy: 1.7908724321193012
Energy: 1.7872037317694902
Energy: 1.777768272356221
Energy: 1.6444054150789567
Energy: 1.6630290592575792
Energy: 1.5573177526758137
Energy: 1.5566521224645447
Energy: 1.8326445640209117
Energy: 1.8631576308889752
Energy: 1.7220478211857702
Energy: 1.8542406090075763
Energy: 2.204756615609089
Energy: 1.5568779446585397
Energy: 1.5568609624682475
Energy: 1.9224365078055765
Energy: 1.5570078089606596
Energy: 1.7243489977772875
Energy: 2.032104814697466
Energy: 1.8203328923140232
Energy: 1.7314537458442194
Energy: 1.6325876204509597
Energy: 1.6563358108804989
Energy: 1.5568830274686962
Energy: 1.7447899429409666
Energy: 1.644970036486452
Energy: 1.683300801362673
Energy: 1.7987204596170714
Energy: 1.7037903577862517
Energy: 1.8324903739938552
Energy: 1.8894404600237675
Energy: 1.6374030640208763
Energy: 1.6475687952258322
Energy: 1.960192869898535
Energy: 1.8333305573172167
Energy: 1.7999743813119395
Energy: 1.7905674995495
Energy: 1.8013557345992248
Energy: 1.7266735459483904
Energy: 1.693949040514559
Energy: 1.6700051305274877
Energy: 1.6934238030580515
Energy: 1.840734508014969
Energy: 2.0623945457342456
Energy: 1.5721827996240647
Energy: 1.7210156543799846
Energy: 1.6253463319451351
Energy: 1.6319735435270954
Energy: 1.6684798124867295
Energy: 1.628398442349392
Energy: 1.5921128499559567
Energy: 1.5568135831288785
Energy: 1.631878949801715
Energy: 1.6542843295387935
Energy: 1.9202816597675698
Energy: 1.9803106301361042
Energy: 2.131846643616481
Energy: 1.8957695231297225
Energy: 1.5554014463499217
Energy: 1.5910983655495972
Energy: 1.623773761339384
Energy: 1.6666555403926744
Energy: 1.588088387546097
Energy: 1.5580745847878597
Energy: 1.6565657694282978
Energy: 1.6276933239736184
Energy: 1.606592058007545
Energy: 1.7019761103221775
Energy: 1.6596736288524614
Energy: 1.720193224105574
Energy: 1.5722037021513198
Energy: 1.5912395604180831
Energy: 1.6349058479703011
Energy: 1.6330844829017124
Energy: 1.829749477227453
Energy: 1.9501427174096586
Energy: 1.9387261294821971
Energy: 2.0505445853039124
Energy: 2.0291069463789824
Energy: 1.5715904997383512
Energy: 1.8045482834415982
Energy: 1.6474451684447353
Energy: 1.6880693244995633
Energy: 1.6122513354002053
Energy: 1.7839250768967645
Energy: 1.5697769804814647
Energy: 1.8328725023173518
Energy: 1.665105565292206
Energy: 1.9547197449096463
Energy: 1.8851255111125276
Energy: 1.6920552102770174
Energy: 1.7159486438997673
Energy: 1.833658320598251
Energy: 1.6537577968924837
Energy: 1.6379373583800596
Energy: 1.769345645940065
Energy: 2.1487283589385404
Energy: 1.5568936851711606
Energy: 1.555811541806351
Energy: 1.718018021521168
Energy: 1.5567024888931262
Energy: 1.7560953609835275
Energy: 1.901950346874111
Energy: 1.6814736155493712
Energy: 1.6922818129090373
Energy: 1.9818944464574344
Energy: 1.8331227901412839

minimum gb energy = 1.5554014463499217 eV
minimum distance =  2.22488323821133 Angstroms
sigma value = 113


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

Energy: 1.8684743695730024
Energy: 2.055388614209949
Energy: 2.0653270604814504
Energy: 2.0469947584479606
Energy: 1.9917678508657768
Energy: 2.0127496142952777
Energy: 2.052378022380966
Energy: 2.062458584652274
Energy: 2.097430586620606
Energy: 2.0273581061758175
Energy: 2.1290663316658622
Energy: 2.080263179778981
Energy: 2.0338079428761233
Energy: 2.098979830776992
Energy: 2.066082650317051
Energy: 1.9725666243896092
Energy: 1.961720778990826
Energy: 2.0249136357020143
Energy: 2.0084975269562793
Energy: 1.9752636808424973
Energy: 2.1084628705447845
Energy: 1.9046156884784187
Energy: 2.1627545692891497
Energy: 1.926077331578779
Energy: 2.017953017085424
Energy: 2.00371678073227
Energy: 1.9166245923957534
Energy: 2.0752215191974477
Energy: 1.8651904557433665
Energy: 2.053915558466473
Energy: 1.8433186149028338
Energy: 1.9921642863348088
Energy: 1.9161475199156657
Energy: 1.8482221079064014
Energy: 1.9456191729002776
Energy: 1.7400674292378222
Energy: 1.9164872076362016
Energy: 1.990090289835416
Energy: 1.842287970217835
Energy: 1.8166633262889051
Energy: 1.7972903047109665
Energy: 1.936054515206816
Energy: 1.9602766578243405
Energy: 2.128271770585849
Energy: 1.835770141589848
Energy: 1.8772256501215845
Energy: 1.8761710963656406
Energy: 1.8327923964078265
Energy: 2.056505532490447
Energy: 2.043239918647989
Energy: 1.708217689318747
Energy: 2.0009577948419537
Energy: 2.033885762454042
Energy: 1.941548193428006
Energy: 1.8649732040979043
Energy: 1.814379816917267
Energy: 1.6311157326533738
Energy: 1.9196191755532193
Energy: 1.9197297842130019
Energy: 1.8585748222271221
Energy: 1.9776885215278523
Energy: 1.997295635580238
Energy: 1.9304245064559094
Energy: 1.8755888851967557
Energy: 1.8296082852020947
Energy: 1.8523184406685855
Energy: 1.9203822484229756
Energy: 1.9102149518556035
Energy: 1.9781042964503464
Energy: 1.8681667803711646
Energy: 1.880871961642668
Energy: 1.8093899749637439
Energy: 1.8778379436900627
Energy: 1.7167860189350166
Energy: 1.8911817548958563
Energy: 1.8674240170672336
Energy: 1.8194133367281287
Energy: 1.712546362073738
Energy: 2.0274645614690856
Energy: 1.9953268535597823
Energy: 2.002336837504004
Energy: 1.8479894460556945
Energy: 1.9223746130334771
Energy: 2.0142059166732835
Energy: 1.927679905092625
Energy: 1.702556285389913
Energy: 1.8973859313323098
Energy: 1.9342760030512678
Energy: 1.9216321051883265
Energy: 1.8089724874232453
Energy: 1.7487006307185349
Energy: 1.9115524431151172
Energy: 1.8279496954368175
Energy: 2.034845521751966
Energy: 1.7060428919640156
Energy: 1.768548006221163
Energy: 1.8489715199356853
Energy: 1.9643382783398755
Energy: 1.7449156277448377
Energy: 1.9459143103638725
Energy: 1.856753800460145
Energy: 1.8470176214058611
Energy: 1.7206309276797984
Energy: 1.902949492906836
Energy: 1.847679823948333
Energy: 1.85344629664181
Energy: 1.8683768781951051
Energy: 1.902934470725443
Energy: 1.9934962988436749
Energy: 1.9053783267539202
Energy: 1.9014584370641943
Energy: 1.9153677988796896
Energy: 1.8670237182357785
Energy: 2.0250701760958063
Energy: 1.9159887802589102
Energy: 2.0294758738856378
Energy: 1.9105204113541998
Energy: 1.9114071934198689
Energy: 2.012424485424693
Energy: 1.8267029589576755
Energy: 1.9322208104634568
Energy: 1.9229156728926262
Energy: 1.926963358350515
Energy: 1.9150193976946777
Energy: 1.9446639057786035
Energy: 1.9217419014381545
Energy: 1.9862141354095275
Energy: 2.104131692384902
Energy: 1.957569142361339
Energy: 2.100122048567719
Energy: 1.9662709388451824
Energy: 2.031312955510469
Energy: 2.0016446171611952
Energy: 1.9024022026367389
Energy: 2.0588793267664713
Energy: 1.9362116221150987
Energy: 2.0553834968974245
Energy: 2.0051095325001462
Energy: 1.9149512837242646
Energy: 2.0956097607312345
Energy: 2.066771232479608
Energy: 2.0191979539219256
Energy: 1.9527949217256715
Energy: 2.14743295794893
Energy: 1.974699716718541
Energy: 1.8860784146695635
Energy: 2.1206249072943977
Energy: 2.0016144206376656
Energy: 2.0114566950092456
Energy: 1.9705601237076544
Energy: 2.1849609736623785
Energy: 1.9740175411711016
Energy: 1.8805528032163006
Energy: 2.0946523804359214
Energy: 1.860345383462133
Energy: 2.000006995147272
Energy: 2.0687506018002817
Energy: 2.046071001036746
Energy: 1.9929962300087647
Energy: 1.9125462287230846
Energy: 2.0218664892697595
Energy: 2.057803004928425
Energy: 2.098921248242699
Energy: 2.01469114135135
Energy: 2.0550953154864207
Energy: 1.974353475854409
Energy: 2.0380111341785296
Energy: 2.141546829896662
Energy: 1.8271857967850968
Energy: 1.974061438375153
Energy: 1.9586237352853468
Energy: 2.023626456035382
Energy: 1.9131074179758605
Energy: 1.9855102372558024
Energy: 2.1214560829133395
Energy: 1.901686489784762
Energy: 2.1487365937906944
Energy: 1.9297360812191695
Energy: 2.017249644113401
Energy: 2.0068295019715854
Energy: 1.9189582052446164
Energy: 2.0735250933505687
Energy: 1.9459587758923516
Energy: 2.0172539711107023
Energy: 1.9280588505361398
Energy: 1.9598467347578197
Energy: 1.924711613878463
Energy: 1.92928359883678
Energy: 1.9433671313529357
Energy: 1.7395370096009646
Energy: 1.9185086912065477
Energy: 1.9560116814145359
Energy: 1.9060247901823186
Energy: 1.7746178389935445
Energy: 1.7990768132091226
Energy: 1.9361654208202679
Energy: 1.923039719105229
Energy: 1.9485097629053882
Energy: 1.8335274380592934
Energy: 1.9867472692926642
Energy: 1.8740133317769287
Energy: 1.831604459439008
Energy: 2.0510919271566506
Energy: 1.8386481007654658
Energy: 1.7074812879506713
Energy: 1.7922091939833062
Energy: 2.0299443902590046
Energy: 1.9702115700270733
Energy: 1.7585514733366683
Energy: 1.8144131250888653
Energy: 1.683450426514891
Energy: 1.820997486533543
Energy: 1.9200813067815732
Energy: 1.9795534709278226
Energy: 1.9757429639688149
Energy: 1.9993399665660752
Energy: 1.9332802342146052
Energy: 1.8569046331088008
Energy: 1.9720485471348972
Energy: 1.8343052104858406
Energy: 1.8767476428781238
Energy: 1.9124312285003433
Energy: 1.9155040688524407
Energy: 1.8700519229570836
Energy: 1.8785955744142329
Energy: 1.8077993702609667
Energy: 1.775974173494743
Energy: 1.8946617689490253
Energy: 1.8398586373900143
Energy: 1.7368753127439742
Energy: 1.8502969005088723
Energy: 1.7095480219549948
Energy: 2.041120793095501
Energy: 1.9802555417755454
Energy: 2.0047577028405144
Energy: 1.9107013345609856
Energy: 1.9225717392731194
Energy: 1.9542884127717184
Energy: 1.9290525489705777
Energy: 1.7008627335720499
Energy: 1.9015448132586572
Energy: 1.938026372195832
Energy: 2.0076206480607817
Energy: 1.8676884791221073
Energy: 1.7871413895197357
Energy: 1.9185661898659023
Energy: 1.827052715877877
Energy: 1.9695970013481818
Energy: 1.863909983717787
Energy: 1.8030050997361577
Energy: 1.8346596637402395
Energy: 1.9465332579153412
Energy: 1.6691500391976961
Energy: 1.9477499215450005
Energy: 1.877613996695344
Energy: 1.842222847193104
Energy: 1.736349557401511
Energy: 1.8813116287282525
Energy: 1.8550344969579586
Energy: 1.8829471746871076
Energy: 1.8385155578349353
Energy: 1.7702756583830812
Energy: 1.8877766300083014
Energy: 1.8615634005341253
Energy: 1.856309349340426
Energy: 1.918343478545751
Energy: 1.8715425803750934
Energy: 2.096898071761629
Energy: 1.912745017481609
Energy: 2.032047622270477
Energy: 1.9113710269486788
Energy: 1.8332069813952045
Energy: 1.9702923125746619
Energy: 1.8280225113098736
Energy: 1.8862118666417975
Energy: 1.9448617388305502
Energy: 1.9295312555837096
Energy: 2.0084320034773864
Energy: 1.937444891598835
Energy: 1.923362834611663
Energy: 1.9856857481043033
Energy: 2.1037108336447727
Energy: 1.8574293040056293
Energy: 2.145823218440069
Energy: 2.085209993622123
Energy: 2.0777769134623267
Energy: 2.011808173016858
Energy: 1.912185032522438
Energy: 2.055427325997148
Energy: 1.935764267472979
Energy: 2.0525045025646125
Energy: 2.00484579101822
Energy: 2.0133969586600062
Energy: 2.095910352679325
Energy: 2.068709532753917
Energy: 2.0406223956944527
Energy: 1.9556561318887342
Energy: 2.225374254756681
Energy: 1.9753655854050536
Energy: 1.87992215197371
Energy: 2.1235048682310005
Energy: 2.00041255661765
Energy: 2.009755374262808
Energy: 1.9667755198440262
Energy: 2.1510333199027882
Energy: 1.973262975065449
Energy: 1.9189020514944903
Energy: 2.0737770657183514
Energy: 1.8517425702459775
Energy: 2.0030670359453175
Energy: 2.070979642886445
Energy: 2.0455722304766577
Energy: 1.9949650726099573
Energy: 1.914195857848334
Energy: 2.0204136036584166

minimum gb energy = 1.6311157326533738 eV
minimum distance =  2.17214406353808 Angstroms
sigma value = 365


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

Energy: 1.771669073975689
Energy: 1.729983435422905
Energy: 1.7506731668656565
Energy: 1.7311556946752233
Energy: 1.7280304154862896
Energy: 1.7499976414178162
Energy: 1.7307401418437514
Energy: 1.6589293567933905
Energy: 1.9943055294865384
Energy: 1.7072339882446796
Energy: 1.7109855278425223
Energy: 1.7104044232243971
Energy: 1.7098476870720245
Energy: 1.9945030648701776
Energy: 1.7607601964505448
Energy: 1.9995512388642933
Energy: 1.7115747628402205
Energy: 1.7093174200747405
Energy: 1.708325615864233
Energy: 1.7101298670391112
Energy: 1.7278776309439423
Energy: 1.761956758884018
Energy: 1.9997989598889803
Energy: 1.7116029716669015
Energy: 1.7103387053831676
Energy: 1.7095302556962186
Energy: 1.7116190788298724
Energy: 1.7317355080955599
Energy: 1.6603217635452987
Energy: 1.99305193158341
Energy: 1.6297626303344166
Energy: 1.9661790513407598
Energy: 1.7083152311646999
Energy: 1.629233363359045
Energy: 1.9968706328838233
Energy: 1.7087899364824757
Energy: 1.9990024140691158
Energy: 1.7087920427297734
Energy: 1.7300937600641895
Energy: 1.7087603548896857
Energy: 1.7107772384503483
Energy: 1.729688404281428
Energy: 1.7617813093778867
Energy: 1.993812869381155
Energy: 1.7116715325119265
Energy: 1.7099103234413338
Energy: 1.7092976986324386
Energy: 1.7103362687716124
Energy: 2.146979581897837
Energy: 1.760526245032443
Energy: 1.96523868161799
Energy: 1.7114985080523772
Energy: 1.7093538883852488
Energy: 1.7082639815770042
Energy: 1.7099456383172191
Energy: 1.9958519261390064
Energy: 1.7618149583984866
Energy: 2.0001495382762178
Energy: 1.7078399243730733
Energy: 1.7103014472147884
Energy: 1.709607227324329
Energy: 1.7126232544957833
Energy: 1.7313777668918264
Energy: 1.6295751517330224
Energy: 1.9937860218660892
Energy: 1.6288745420610766
Energy: 1.9664261990410907
Energy: 2.147401341278096
Energy: 1.628951892882835
Energy: 1.9960565873807505
Energy: 1.7611615182586162
Energy: 2.0004146411121115
Energy: 1.7079404746334046
Energy: 1.7099934216822512
Energy: 1.7106291801456943
Energy: 1.7102924665410537
Energy: 1.730893500336288
Energy: 1.76008410838448
Energy: 1.9968699909577028
Energy: 1.7109009786764735
Energy: 1.7090283586028843
Energy: 1.708474030824943
Energy: 1.710174308237172
Energy: 1.9941905349560949
Energy: 1.761893941958144
Energy: 1.9936961005398726
Energy: 1.707732634463431
Energy: 1.7105853807527143
Energy: 1.7096556510250003
Energy: 1.7109172785395566
Energy: 1.995441660267636
Energy: 1.7099915858699992
Energy: 1.9997730212168263
Energy: 1.707858081608404
Energy: 1.731149371263191
Energy: 1.730098511901649
Energy: 1.7085328880339725
Energy: 1.7319406449625092
Energy: 1.6590092734093436
Energy: 2.147392405136737
Energy: 1.6293587649423198
Energy: 1.7119529460342997
Energy: 1.7094686331612698
Energy: 1.7073007849977564
Energy: 1.9950380017863258
Energy: 1.7604280933715801
Energy: 2.0381482068835024
Energy: 1.7121747383811632
Energy: 1.7100915975046682
Energy: 1.7093671276306657
Energy: 1.7101624541222678
Energy: 1.727737718320555
Energy: 1.7606216752312394
Energy: 1.9968963626123737
Energy: 1.7118549700062875
Energy: 1.70936184515035
Energy: 1.7086935222327113
Energy: 1.7106142533517694
Energy: 1.7281561685834734
Energy: 1.658878285554254
Energy: 1.9938548189728258
Energy: 1.7072918790767935
Energy: 1.7111930855701076
Energy: 1.7116927486983422
Energy: 1.7069623240441214
Energy: 1.9951300826393452
Energy: 1.7283456796577519
Energy: 2.0006457064680885
Energy: 1.7097721507483754
Energy: 1.730979362130668
Energy: 1.7289532418713591
Energy: 1.7094059950354994
Energy: 1.730114262891269
Energy: 1.7125255067923435
Energy: 1.9937111032316341
Energy: 1.7073123476566205
Energy: 1.7105928321587274
Energy: 1.7099514877424797
Energy: 1.7100168306087253
Energy: 1.9954257473914154

minimum gb energy = 1.6288745420610766 eV
minimum distance =  2.21782650871394 Angstroms
sigma value = 23