Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.628442171216013
cohesive_energy=4.196040163280591
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.62269906279264e-21, 2.4330974799250796e-20, 8.642829699748619e-20, 1.80751159141344e-19, 2.77227827334288e-19, 3.5886513554312403e-19, 4.2395516347600793e-19, 4.75567681563684e-19, 5.16791686356504e-19, 5.49918290441088e-19, 5.766041444569919e-19, 5.98103752708638e-19, 6.15394442942766e-19, 6.292500664735979e-19, 6.40290665658492e-19, 6.49011313077354e-19, 6.55814155065318e-19, 6.61029240008988e-19, 6.64938550995948e-19, 6.677872210511999e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.6672978447276e-19, 6.630383695080239e-19, 6.580203522903359e-19, 6.51384136672308e-19, 6.42741995908512e-19, 6.315812334760679e-19, 6.172049025391859e-19, 5.9866932106044e-19, 5.747007586158e-19, 5.43605714503128e-19, 5.031539588478959e-19, 4.50440745412662e-19, 3.8167372210474793e-19, 2.9187011959241397e-19, 1.7442095926040998e-19, 2.0511225486131397e-20, -1.81675615059162e-19, -4.48450842033234e-19, -8.04486533640714e-19, -1.292338103457276e-18, -1.98882992108322e-18]
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: 0.01606263870541088
Energy: 0.7337446748340216
Energy: 0.016405199290156495
Energy: 0.016257716138326692
Energy: 0.7327542155794743
Energy: 0.016412566733252153
Energy: 0.7337446748334336
Energy: 0.10336297684702296
Energy: 0.10351011638169495
Energy: 0.10372311802600981
Energy: 0.10334816711930778
Energy: 0.10407979681013248
Energy: 0.016405199290156495
Energy: 0.10351011638200623
Energy: 0.10406452589957975
Energy: 0.01623214414046135
Energy: 0.10387978588131902
Energy: 0.10380625835567574
Energy: 0.016257716138326692
Energy: 0.10372311802600981
Energy: 0.01623214414046135
Energy: 0.016371352633258153
Energy: 0.10376601538008969
Energy: 0.016269009555598773
Energy: 0.7327542155803736
Energy: 0.10334816711930778
Energy: 0.10387978588131902
Energy: 0.10376601538008969
Energy: 0.1037879855406516
Energy: 0.10432969303825154
Energy: 0.016412566733528852
Energy: 0.10407979680982117
Energy: 0.10380625835567574
Energy: 0.016269009555598773
Energy: 0.10432969303856283
Energy: 0.016251724063763826

minimum gb energy = 0.01606263870541088 eV
minimum distance =  2.56304350703478 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.3354807584313595
Energy: -3.6493677501041883
Energy: -0.9862499353571919
Energy: -2.1016587956284067
Energy: -2.891053902335414
Energy: -1.6564821734806272
Energy: -0.7883563757927454
Energy: -4.115014584063716
Energy: -4.079283911020226
Energy: -4.275164938904946
Energy: -2.946763908988015
Energy: -4.344516754799879
Energy: -4.325855847194645
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Energy: -1.9094781477888034
Energy: -4.265922641818914
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Energy: -0.9546648444179053
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Energy: -4.672879388179033
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Energy: -4.2589370462623
Energy: -4.220423518090436
Energy: -2.8087864544812913
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Energy: -1.130906685006163
Energy: -2.901136041894114
Energy: -1.6745443942947766
Energy: -1.7307977579370328
Energy: -1.46540619824172
Energy: -5.017747280026896
Energy: -1.0318300864900845
Energy: -1.06211977117876
Energy: -1.4935790600697552
Energy: -3.418089594810821
Energy: -3.4927941819693857
Energy: -4.987264861592816
Energy: -1.0481557342484753
Energy: -4.364040780274449
Energy: -3.8375192419189843
Energy: -2.488010378555746
Energy: -3.927164127311884
Energy: -2.1019154192066813
Energy: -4.252807647012926
Energy: -4.042123427510231
Energy: -1.0375831616652142
Energy: -2.7161474020696157
Energy: -4.223118650287377
Energy: -0.8046510363700423
Energy: -2.392631925446542
Energy: -1.2116660330305826
Energy: -1.0308485635199447
Energy: -3.187660531638538
Energy: -3.2152151068918746
Energy: -4.813345034999497
Energy: -3.253052760230425
Energy: -2.5580035984169953
Energy: 1.250170419662704
Energy: -3.2183481735976978
Energy: -2.016285119470996
Energy: -2.6457978671360625
Energy: -4.326966310398383
Energy: -5.127000707496886

minimum gb energy = -5.127000707496886 eV
minimum distance =  2.349641988424 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8825721068652652
Energy: -3.287600250271777
Energy: -2.72026324924635
Energy: -2.186410655913242
Energy: -3.0661434142753174
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Energy: -1.1814016238180676
Energy: -3.662615154972438
Energy: 1.2441538783161583
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Energy: -3.0546244597191325
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Energy: -3.7107826339803283
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Energy: -0.6251312648035106
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Energy: -2.4505010467623864
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Energy: -2.8640838190613445
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Energy: -2.3659384084272346
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Energy: -3.025209294996929
Energy: -2.092074467934972
Energy: -2.8322800980876317
Energy: -2.817994823525636
Energy: -3.6082025722207796

minimum gb energy = -4.611505278736401 eV
minimum distance =  2.24376018704718 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

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Energy: -0.43492420318765057
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Energy: -0.6680794750375411
Energy: -0.5159196350611116
Energy: -1.24596626117195
Energy: -1.077583496673132
Energy: 1.4002609322268518
Energy: -0.8346196854897809
Energy: -1.178376919901596
Energy: -1.9262749864738573
Energy: -0.9656759698772114
Energy: -2.166854369656563

minimum gb energy = -2.6879078241113814 eV
minimum distance =  2.34078535793426 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.3047781306076354
Energy: -0.23359823251703304
Energy: 0.6566371638661557
Energy: 0.1822925596573486
Energy: -0.05576448208575286
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Energy: -0.041055883265742804
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Energy: -0.04292675629420258
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Energy: -0.2095307837693671
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Energy: -0.2091550485925918
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Energy: 0.0012280876864090961
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Energy: -0.20821858305063393
Energy: -0.20880599752685663
Energy: -0.2875069048380458
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Energy: -0.21144818644989258
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Energy: -0.20851542876940407
Energy: -0.2097394866770108
Energy: -0.039497617928412436
Energy: -0.19034071348881607
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Energy: -0.2839058601274224
Energy: -0.23761098400368785
Energy: -0.21095016915999423
Energy: -0.2841139212586421

minimum gb energy = -1.288644387163679 eV
minimum distance =  2.38379903129828 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.078660590677844
Energy: -0.41346372384088853
Energy: -0.3505101152308392
Energy: -1.3919199403636962
Energy: -1.6838958257130048
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Energy: -0.30309581339856845
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Energy: -0.552303361800646
Energy: -0.6011840339755785
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Energy: -0.6855514905741591
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Energy: -0.6087861453170167
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Energy: -0.42794085947619726
Energy: -0.4644211114063382
Energy: -0.6167840332073559
Energy: -0.44546461227503564
Energy: -0.3870840665231616
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Energy: -0.5520315412583456
Energy: -0.5367348131516632
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Energy: -0.38356150362800673
Energy: -0.47090372816680326
Energy: -0.4878676364173629
Energy: -0.43339413174711044

minimum gb energy = -1.6838958257130048 eV
minimum distance =  2.37667366042921 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.7515159790339672
Energy: -1.321535605249433
Energy: -2.4036893719150867
Energy: -1.344124493305206
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Energy: -1.6608560925744658
Energy: -3.1954858547635445
Energy: -1.4269688683684196
Energy: -1.6608232718989182

minimum gb energy = -4.638148450261435 eV
minimum distance =  2.33622067628792 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

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Energy: -0.7032183427202833
Energy: -0.6290978836347161
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Energy: -0.0364627566616526
Energy: -0.032061749724980014

minimum gb energy = -1.964220887892367 eV
minimum distance =  2.41904468553936 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

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Energy: -3.116995639381579
Energy: -2.178196719790103
Energy: -2.852243934624064
Energy: -2.565616720035198

minimum gb energy = -3.9760743430661636 eV
minimum distance =  2.37766658843856 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: -1.81063285657433
Energy: -1.742756216296559

minimum gb energy = -3.2301132335236735 eV
minimum distance =  2.38440999450692 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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minimum gb energy = -5.493107301786078 eV
minimum distance =  2.3286028047041 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: -0.7495461995191581
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Energy: -0.7285996107431443

minimum gb energy = -2.3949248240200522 eV
minimum distance =  2.3949024007204 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: -2.5334263321558237

minimum gb energy = -5.255114793063809 eV
minimum distance =  2.36407062762052 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -2.233912237269348
Energy: -1.6348943372318427
Energy: -1.9526737119607214
Energy: -1.4323807855843147
Energy: -3.205874387577097
Energy: -3.541809091300794
Energy: -2.8154041899291093
Energy: -3.2513073481493593
Energy: -3.5466121193115514
Energy: -1.3072849378585798
Energy: -2.38500920194045
Energy: -1.8687533862252343
Energy: -2.490319045897661
Energy: -1.796281153466856
Energy: -2.3764317028137563
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Energy: -3.531296961485618
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Energy: -2.3940859766937543
Energy: -2.287456866138751
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Energy: -2.1573019852144464
Energy: -2.5349701743784703
Energy: -3.1344266264412317
Energy: -2.1297928930593026
Energy: -2.9701555526110814
Energy: -1.799244641080561
Energy: -2.1411519246284385
Energy: -3.3603997195104123
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Energy: -2.33746043703053
Energy: -1.8736268595454948
Energy: -1.6894839298187787
Energy: -0.7538837183484118
Energy: -3.6899814129985025
Energy: -2.93843989984547
Energy: -0.7619502039903063
Energy: -3.6419887019572426
Energy: -1.4230432144444933
Energy: -1.821517471738692
Energy: -2.4707527878280002
Energy: -3.1175519467174597
Energy: -2.365277648450581
Energy: -2.485314202460945
Energy: -1.3899075350270775
Energy: -3.4710606201499776
Energy: -3.1627309797626055
Energy: -3.240841840140259
Energy: -2.9549163000939678
Energy: -3.4218962244818636
Energy: -1.4499697314323448
Energy: -2.527798895891325
Energy: -1.93744591208622
Energy: -1.9965816194207633
Energy: -1.7163627554338663
Energy: -2.2372962061399972
Energy: -1.4763844331542013
Energy: -3.5078857791603166
Energy: -3.0967772178914843
Energy: -2.5296827803043818
Energy: -3.1074998768956696
Energy: -3.2127624534109547
Energy: -1.516886537475944
Energy: -2.5506838154747067
Energy: -3.154419600928914
Energy: -2.9706780435322933
Energy: -1.726723537591678
Energy: -3.3898151091701787
Energy: -1.576664859941544
Energy: -2.4896781046052254
Energy: -3.3424186897859336
Energy: -2.3001409115911544
Energy: -3.349866874550314
Energy: -2.928542004939446
Energy: -1.827377524365007
Energy: -2.7169668104826834
Energy: -3.1750287399261268
Energy: -2.652071943219524
Energy: -2.94290026630532
Energy: -2.2985673788859717
Energy: -2.0452257036857477
Energy: -1.9098619577551754
Energy: -3.171646554887146
Energy: -1.6060017528800072
Energy: -3.146385036455943
Energy: -2.2465611087675463
Energy: -1.451366619703968
Energy: -3.2373237599978912
Energy: -0.7473516885447942
Energy: -0.7019480753605858
Energy: -2.1531817775605684
Energy: -3.710361514784167

minimum gb energy = -4.13301366614995 eV
minimum distance =  2.30726491358862 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -1.5109008423616563
Energy: -0.08522794936866594
Energy: -0.45621672722824497
Energy: -0.7382243625166762
Energy: -0.0883179066901569
Energy: -2.215316430583206
Energy: -1.1657165205614908
Energy: -2.3853269893519977
Energy: -1.625035553473356
Energy: -1.660965011155995
Energy: -2.1664647982101335
Energy: -1.6677631261986317
Energy: -0.9837989506803458
Energy: -0.7198571187240485
Energy: -0.7170402890423175
Energy: -0.6235539425448713
Energy: -0.666806058379543
Energy: -0.6619300451790544
Energy: -1.0115001400323427
Energy: -0.6772168072422756
Energy: -1.7594812703903326
Energy: -2.1875906810088277
Energy: -1.934431307803475
Energy: -1.6670506706815424
Energy: -1.1155106572033537
Energy: -1.0205347160676872
Energy: -1.385836948432923
Energy: -1.5690261316057157
Energy: -1.6411157194571033
Energy: -1.027379727367174
Energy: -0.9462142989527194
Energy: -1.2818276714702774
Energy: -0.8756622984936806
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Energy: -2.391755191049576
Energy: -0.8209842528891866
Energy: -1.1124423463219466
Energy: -2.4046671306491705
Energy: -1.4710344694073143
Energy: -1.0474273632101307
Energy: -0.6615932463336498
Energy: -0.6618881529771051
Energy: -0.6703020229444964
Energy: -0.6615945287940105
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Energy: -2.2536735341300256
Energy: -1.0013391213783298
Energy: -0.7196642145474734
Energy: -0.7088987701792482
Energy: -1.9999957034335263
Energy: -0.719899875942592
Energy: -0.7079685385852342
Energy: -0.6322077367433485
Energy: -0.9024179865988327
Energy: -2.147753628433364
Energy: -1.2409720659549686
Energy: -0.8168062664982759
Energy: -0.9171645180550447
Energy: -2.4403183630983856
Energy: -1.4454723858808072
Energy: -1.5900146531415744
Energy: -2.3921239214253727
Energy: -1.5409998346845215
Energy: -2.866417866032742
Energy: -0.6769346477044949
Energy: -1.2367808716765054
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Energy: -0.6062847504693043
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Energy: -2.0534000909281613
Energy: -2.61804272872757
Energy: -2.306268592676189
Energy: -2.581026075057204
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Energy: -2.060062060702466
Energy: -2.1023027064814706
Energy: -2.541062525281349
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Energy: -2.6046629423709833
Energy: -1.9769845048290737
Energy: -1.7889412029322778
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Energy: -1.411459530991549
Energy: -0.9626104017622582
Energy: -0.6893472628034083
Energy: -0.6875939961243172
Energy: -0.7085054234074274
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Energy: -0.6675431578007077
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Energy: -1.005355115042572
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Energy: -2.3986419902409364
Energy: -1.3830499131568388
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Energy: -2.4679249787593727
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Energy: -0.8173162205817828
Energy: -1.4393943440475632
Energy: -0.7948249598099155
Energy: -1.409415593712729
Energy: -0.574770532108387
Energy: -1.2044092562764563
Energy: -1.6809608961923845
Energy: -0.5131700716758697
Energy: -0.7327417956113608
Energy: -0.6431503010694607
Energy: -0.6479538639406509
Energy: -0.7460952016887594
Energy: -0.42850880372717903
Energy: -0.693534760519006
Energy: -2.4333982736214126
Energy: -2.473118310312695
Energy: -2.593700113228754
Energy: -2.738408416411281
Energy: -2.459165329158502
Energy: -2.5983855514619836
Energy: -1.0731326879485106
Energy: -0.6423247744990375
Energy: -0.6652855882126834
Energy: -2.6217531755312837
Energy: -0.6432330018131929
Energy: -0.6871450428491774
Energy: -1.1577762443211963
Energy: -0.7352423377864337
Energy: -2.6151968178242395
Energy: -1.5187738326090279
Energy: -1.4545422669869816
Energy: -2.6398744847449986
Energy: -2.026879263427363
Energy: -1.9196406547250988
Energy: -1.913697520821776
Energy: -2.431740983932898
Energy: -1.160360994205126
Energy: -2.205981468744343
Energy: -1.9764420865244705
Energy: -0.5844369566308225
Energy: -1.7041623324793893
Energy: -2.6496841020309025
Energy: -1.9459116051419696
Energy: -2.2431441796398612
Energy: -1.518923513014382
Energy: -1.9880349210508994
Energy: -1.3781604690636569
Energy: -1.7273006952772927
Energy: -1.9527794775424612
Energy: -0.8064369092316889
Energy: -1.4575250931723829
Energy: -0.6617551086153727
Energy: -0.6653457432800264
Energy: -1.9248928790917796
Energy: -2.3037590768897536
Energy: -0.6951034370737218
Energy: -0.937271785598266
Energy: -0.7381498468233252
Energy: -0.7555786627610551
Energy: -1.5473449766135832
Energy: -0.7240516425323578
Energy: -0.8187820338057147
Energy: -1.9129222928573626
Energy: -1.3216720372727333
Energy: -0.38419726201947596
Energy: -1.3945022503175497
Energy: -0.5306115756631088
Energy: -2.9038171093409537

minimum gb energy = -2.9038171093409537 eV
minimum distance =  2.31101096374267 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -1.7879839821343309
Energy: -0.5288742927548159
Energy: -0.9306573526422047
Energy: -0.887551707058008
Energy: -0.5293459148613754
Energy: -0.9317979776635715
Energy: -1.5114468014744813
Energy: -0.7536502093731958
Energy: -0.7984246885306195
Energy: -1.1757471950493052
Energy: -0.7545662539226327
Energy: -0.802133287238958
Energy: -1.9680525635161972
Energy: -0.7598128914251169
Energy: -0.7575246181147292
Energy: -0.8643586840378046
Energy: -0.7743315272711064
Energy: -0.7905814521792053
Energy: -1.9532747543441997
Energy: -0.7898648136068704
Energy: -0.7785917519853364
Energy: -0.9304015125947175
Energy: -0.7914093659526439
Energy: -0.7975128943931102
Energy: -1.7120945309152027
Energy: -0.9438675569034269
Energy: -0.7473040151666571
Energy: -1.7798809709184946
Energy: -0.9906043098052907
Energy: -0.8097031720153672
Energy: -1.4647207326283764
Energy: -1.4559340032853498
Energy: -0.8871388622802231
Energy: -0.8984463852852518
Energy: -0.7639440498653942
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Energy: -2.0407019253029732
Energy: -0.7561381342799132
Energy: -0.7990426635850043
Energy: -0.9805770024041333
Energy: -0.7522213976324323
Energy: -0.7998781595555273
Energy: -1.3898004004654128
Energy: -0.8669712531169314
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Energy: -2.2850807201681413
Energy: -0.8686893551478174
Energy: -0.8721772334930401
Energy: -2.0088036619696013
Energy: -0.8695324066388023
Energy: -0.868765661301654
Energy: -0.960628508855497
Energy: -0.870107587809153
Energy: -0.8681023689858914
Energy: -1.4448829827021892
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Energy: -0.8077246580116509
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Energy: -0.7653364624990535
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Energy: -0.8704123508414406
Energy: -0.8689163820309574
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Energy: -1.0363824977754659
Energy: -1.363824543758674
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Energy: -1.2081723248908158
Energy: -0.8692329945541897
Energy: -0.9292509296372875
Energy: -1.678075932522091
Energy: -0.7991807623377367
Energy: -0.7090882254976484
Energy: -0.828975534871792
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Energy: -0.9715987317363391
Energy: -1.5158819431219452
Energy: -0.7686322330883322
Energy: -0.7690145866038961
Energy: -0.8674264142857115
Energy: -0.7684919153025415
Energy: -0.7750235065770477
Energy: -2.232031844071266
Energy: -0.8471987952769434
Energy: -0.8262322187244303
Energy: -0.8015602475569772
Energy: -0.843652992682366
Energy: -0.8398621241906027
Energy: -2.1424668622980683
Energy: -0.8814146707411223
Energy: -0.8852968787191753
Energy: -0.9773072085414047
Energy: -0.8813478390733335
Energy: -1.2438395704046743
Energy: -1.6943389240827542
Energy: -1.2322178519936808
Energy: -1.1979354309168386
Energy: -0.9390563123999177
Energy: -1.0481433097246293
Energy: -0.8204580204086019
Energy: -2.022234700556186
Energy: -0.8732131272377996
Energy: -0.8722069742262503
Energy: -0.8887692206194655
Energy: -0.871423684676992
Energy: -0.8718349389505952
Energy: -1.5562287825896037
Energy: -0.8690605844557421
Energy: -0.8704928193071015
Energy: -0.8379706119836114
Energy: -0.869021228022986
Energy: -0.874025162299354
Energy: -1.9627281370745058
Energy: -0.8312927890202524
Energy: -0.8244437974944835
Energy: -1.00112708849582
Energy: -0.8526153483064841
Energy: -0.8694478417238829
Energy: -1.47592505416883
Energy: -0.7493107260317919
Energy: -0.7902942789073361
Energy: -0.523416577537851
Energy: -0.7645912337524415
Energy: -0.8186853812550293
Energy: -1.6193343699696314
Energy: -0.8308006709736909
Energy: -0.7771619984570676
Energy: -0.7970473467908937
Energy: -0.832495004226442
Energy: -0.7664425457193291
Energy: -3.2351738375942167
Energy: -0.8687170268230346
Energy: -0.9283567302783058
Energy: -1.1471582262275473
Energy: -0.868612173145211
Energy: -0.9267923625993969

minimum gb energy = -3.2351738375942167 eV
minimum distance =  2.39655477439439 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -1.5973280371649166
Energy: -0.8486374753886211
Energy: -1.2844657370618908
Energy: -0.9409339388329033
Energy: -1.3956768817779404
Energy: -0.9446845395000426
Energy: -1.4031469648797994
Energy: -1.0296891903112022
Energy: -0.9027848830511634
Energy: -1.086712270589582
Energy: -1.0053211467556165
Energy: -0.9420803432494381
Energy: -1.4802198025012285
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Energy: -1.0187009916201935
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Energy: -1.0244231024954433
Energy: -2.205711085326818
Energy: -1.3538797107269014
Energy: -1.1682965660142979
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Energy: -0.9995661222723257
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Energy: -1.872666006828714
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Energy: -0.9851970395770284
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Energy: -1.0060167693559388
Energy: -0.951530837759037
Energy: -2.520955812641958
Energy: -1.1516101180051135
Energy: -1.0474811975039773
Energy: -1.0258585639797806
Energy: -1.3965965363981396
Energy: -1.8688275702566788
Energy: -2.5508551946207243
Energy: -1.1389582727264191
Energy: -1.138582261035211
Energy: -1.6208290246941803
Energy: -0.8989798263380322
Energy: -1.665097447925785
Energy: -2.0159334122975654
Energy: -1.014212583737685
Energy: -0.9894081917968618
Energy: -1.831760710563007
Energy: -1.0156611845750547
Energy: -1.1330948321661636
Energy: -1.7819010440891878
Energy: -1.0160204499360384
Energy: -0.9527438785982169
Energy: -1.0430497638937606
Energy: -1.0366686942625214
Energy: -0.9678609595918656
Energy: -1.9924565192025276
Energy: -0.987477850814593
Energy: -0.9857350807078729
Energy: -1.0258858414505376
Energy: -1.0251004869490858
Energy: -0.983839896051566
Energy: -2.8965912509595824
Energy: -0.9933376978548143
Energy: -0.9099672109851735
Energy: -1.2131175497787083
Energy: -0.9797753029040945
Energy: -0.9570793365273206
Energy: -2.5286034179648027
Energy: -1.046410550075994
Energy: -1.0081954601198946
Energy: -0.920770820063792
Energy: -1.0485813731744618
Energy: -1.0172093780749543
Energy: -1.986269775017029
Energy: -1.0364758957173517
Energy: -0.9111727250597653
Energy: -1.030823836151481
Energy: -0.9733230060534946
Energy: -0.9662409406571868
Energy: -1.6050125490784644
Energy: -0.8863680823317511
Energy: -0.8920798478579948
Energy: -0.648467383701508
Energy: -0.8644545983208426
Energy: -0.9153109348794232
Energy: -1.7221653954012242
Energy: -1.0505399092659962
Energy: -0.8169316971879778
Energy: -1.1543749423727614
Energy: -1.022488355464332
Energy: -1.0765794878220607
Energy: -3.014028690115647
Energy: -0.9696637202043574
Energy: -0.9088557156726186
Energy: -0.9260941903458288
Energy: -1.0417127362724599
Energy: -0.9689438126381633

minimum gb energy = -3.014028690115647 eV
minimum distance =  2.37349064984045 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -1.8275423898532417
Energy: -1.3328536429863762
Energy: -1.68051086710294
Energy: -1.779663505044305
Energy: -1.295780770966297
Energy: -2.152349926768272
Energy: -1.6618263399210822
Energy: -2.4272659608622376
Energy: -2.4855594879883696
Energy: -1.7171754892825786
Energy: -2.548217377293362
Energy: -2.536938027361886
Energy: -1.7987916805596484
Energy: -1.5383066741172586
Energy: -1.7254141166052828
Energy: -1.4807964405058236
Energy: -1.7240029151589318
Energy: -1.697691434391773
Energy: -2.44898538287263
Energy: -1.8151131241644354
Energy: -1.4042020650990525
Energy: -2.7358220368702604
Energy: -1.8570218140608006
Energy: -1.7378313699297896
Energy: -2.314148172022643
Energy: -2.5994933877403814
Energy: -2.4806160008730656
Energy: -2.5315292130373215
Energy: -2.310203180838407
Energy: -2.523410252877333
Energy: -1.8849598994045096
Energy: -2.5100333757672764
Energy: -1.9312598890611485
Energy: -1.7942190331167716
Energy: -1.7629390693799638
Energy: -1.8219087315018845
Energy: -2.5039650238564715
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minimum gb energy = -3.9652625598547657 eV
minimum distance =  2.368459141527 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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minimum gb energy = -4.920666237062503 eV
minimum distance =  2.35712924216988 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

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Energy: -3.3703015743566187
Energy: -1.7322596861881883
Energy: -1.5405797176472635
Energy: -1.369056373947378
Energy: -1.7921009182635874
Energy: -1.4458238802423267
Energy: -1.9009283196596558
Energy: -2.157560595951495

minimum gb energy = -4.7264286260824395 eV
minimum distance =  2.32644584327575 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.01661430337562912
Energy: -0.003171484555379503
Energy: -0.007625855421104292
Energy: 0.018426355241593133
Energy: -0.0202619709432905
Energy: -0.00791779089916981
Energy: 0.01125047002567414
Energy: 0.019127354321981958
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Energy: -0.01722316061623314
Energy: 0.021067549931791225
Energy: 0.000831425013725513
Energy: 0.009420326555162842
Energy: -0.004359158280908876
Energy: -0.01170203079869707
Energy: -0.018008836447973967
Energy: -0.004000648076601305
Energy: -0.0122184188732106
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Energy: -0.005041147414651515
Energy: -0.02277587052397065
Energy: 0.02107965100069677
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Energy: -0.011479444915955945
Energy: -0.020901813228839584
Energy: -0.017854056143818398
Energy: -0.01753476711972162
Energy: -0.03499818102100221
Energy: -0.016134132529363816
Energy: 9.626429430937185e-05
Energy: 0.017838390759784755
Energy: 0.011300407636634915
Energy: -0.007371021730587585
Energy: 0.0187974255273802
Energy: 0.010910614474695888
Energy: -0.007412641660375471
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Energy: 0.017749171020287106
Energy: 0.011317981603377988
Energy: -0.017647336781987544
Energy: 0.020015763397834188
Energy: 0.0010418558746821186
Energy: 0.009657536587362958
Energy: 0.00924707629196298
Energy: -0.012006063233652343
Energy: -0.02009158678824507
Energy: -0.0029663875724267198
Energy: -0.01250486574147973
Energy: 0.018234012804930453
Energy: -0.0052817831585036485
Energy: -0.022450575064323266
Energy: 0.019554483349043986
Energy: -0.004855544229876174
Energy: -0.03097026330148001
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Energy: -0.01812071531582978
Energy: -0.019419467539462804
Energy: -0.022488142179063544
Energy: -0.015882308679484362
Energy: 0.00016520946052588661

minimum gb energy = -0.03499818102100221 eV
minimum distance =  2.46707110488332 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.00038095102899492287
Energy: -2.738469907871899
Energy: -2.2530071036624157
Energy: -2.7678820077422315
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Energy: -3.009780015626814
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Energy: 0.16914706656683026
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Energy: -2.842939495843245
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Energy: -2.9089376096341257
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Energy: -2.253070867679189
Energy: -2.9955929680272257
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Energy: -2.8958422457288275
Energy: -2.906103563934817
Energy: -2.837131043054018
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Energy: -3.0138570311693726
Energy: -1.8978996525787561
Energy: -2.8302589986396165
Energy: -2.9061712309393632

minimum gb energy = -3.465201884968063 eV
minimum distance =  2.34027067684703 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.35358847912104585
Energy: -3.5269721488210943
Energy: -4.455696495213456
Energy: -3.997310807005816
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Energy: -3.908594604169484
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Energy: -3.423604801213719
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Energy: -2.643617715088006
Energy: -3.7909743531560687
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Energy: -2.205573764734451
Energy: -4.1482392963200985
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Energy: -3.1843439623518055
Energy: -3.4301364209667895
Energy: -3.8933139240728116
Energy: -3.410850678105275

minimum gb energy = -4.455696495213456 eV
minimum distance =  2.33341765460985 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

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Energy: -4.017589775628768
Energy: -4.4422449061219025
Energy: -3.8977255485745013
Energy: -2.45932002456191
Energy: -4.3696864073102875
Energy: 0.5320048377526231
Energy: -1.62939671384921
Energy: -1.7426992225856581
Energy: -1.6867352536225522
Energy: -1.624263156393873
Energy: -1.8422100802173558
Energy: -3.1583451408572043
Energy: -1.5295193147891533
Energy: -1.4682757845727594
Energy: -2.504608231394897
Energy: -1.6968918457600821
Energy: -1.5509617359659331
Energy: 0.05046933690059794
Energy: -1.7280885159739032
Energy: -2.2848332652863594
Energy: -2.1595467681340144
Energy: -1.5664919257786947
Energy: -1.5801337523871386
Energy: -2.1720644285983233
Energy: -1.7517756379075637
Energy: -1.491894377550957
Energy: -1.5822121970752043
Energy: -2.1658401713544824
Energy: -1.329183015510607
Energy: 0.15813265790562406
Energy: -1.9289400504093195
Energy: -2.4272491401059293
Energy: -2.1302809419631497
Energy: -2.3939025074539138
Energy: -2.456119273836141
Energy: -4.705486012670796
Energy: -1.7196674967138337
Energy: -1.5276715995285646
Energy: -2.4510375886164346
Energy: -1.8329847639043304
Energy: -2.808474694037855
Energy: -2.899574122395795
Energy: -3.1896446395868394
Energy: -1.877534609716245
Energy: -1.7657213035427013
Energy: -1.2530919322796075
Energy: -2.6397810014541228

minimum gb energy = -4.705486012670796 eV
minimum distance =  2.34515694493183 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.5318962811725307
Energy: -2.0331285240131676
Energy: -1.7811236404943824
Energy: -1.913780619962976
Energy: -1.8254083340327638
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Energy: -1.2997019657417301
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Energy: 0.6666069004725128
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Energy: -1.6503316440953708
Energy: -2.095353264886099
Energy: -1.5598371129076052
Energy: 0.5669750152982046
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Energy: -1.3535647611685306
Energy: -1.6478916254918847
Energy: 0.46408775312812467
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Energy: -1.7187407900640035
Energy: -1.9407645007616243
Energy: -1.6520860630847385
Energy: -2.0688537628265276
Energy: 0.7929550392487387
Energy: -1.7277856867523362
Energy: -1.6931650297129939
Energy: -0.5429062294654822
Energy: -1.72870742160714
Energy: -0.6954481775236142
Energy: 0.7850036981284183
Energy: -1.505819763465062
Energy: -1.472571328063069
Energy: -0.5940389517695069
Energy: -1.922095898339321
Energy: -1.50382193166007
Energy: 0.5099153349291938
Energy: -1.707813835607029
Energy: -1.3308272668176444
Energy: -1.87250616151893
Energy: -1.8228954924740697
Energy: -1.3383750258658276
Energy: 0.5311775433519057
Energy: -2.1824639187859938
Energy: -1.240920496890424
Energy: -1.7435729684192538
Energy: -0.8158687505818049
Energy: -1.589007960741799
Energy: 0.5234911814911769
Energy: -1.5451754516018363
Energy: -1.3843590079030403
Energy: -1.6720674928216994
Energy: -2.00605258064629
Energy: -1.291968575354292
Energy: 0.6157701815935632
Energy: -1.901956164470346
Energy: -1.8159097190114812
Energy: -1.5065143425655014
Energy: -1.8208998922015966
Energy: -1.9806361603098541
Energy: 0.7582166254539915
Energy: -1.8364595440548859
Energy: -1.5623041891486298
Energy: -1.4343672817078739
Energy: -1.393073225494948
Energy: -1.6867525965526924
Energy: 0.4543068099611143
Energy: -1.358852288771127
Energy: -1.4205511410031872
Energy: -2.3535391798569947
Energy: -1.374433221373916
Energy: -1.8335925658978451

minimum gb energy = -2.3535391798569947 eV
minimum distance =  2.37819330362487 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: -1.053318111049957
Energy: -1.287081072245958
Energy: -0.6236226462321193
Energy: -2.0838610214476074
Energy: -1.2949157380128697
Energy: -1.6557180786920265
Energy: 0.9455567082412272
Energy: -2.294611220354584
Energy: -1.773620448921274
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Energy: -1.705363627258924
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Energy: -1.0967743458386972
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Energy: -1.7727135417717546
Energy: 0.6183705104803446
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Energy: 0.6287947536796279
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Energy: -1.5609277667443355
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Energy: -2.26553362053076
Energy: -1.993746183278997
Energy: 0.6186365028390716
Energy: -2.2667914920615786
Energy: -1.8205590502569715
Energy: -2.8207368807537287
Energy: -1.5785852739082638
Energy: -1.8538269711478896
Energy: 0.6892786786290391
Energy: -1.3491676998968982
Energy: -1.8288165459942403
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Energy: -1.6046464636764912
Energy: -1.9549076728254582
Energy: -1.2879406732738836
Energy: -2.766942893041703
Energy: -1.6722083958705927
Energy: -2.4470330479181297
Energy: -2.6336189541243638
Energy: -1.8955185185376584
Energy: 0.6047116898925893
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Energy: -2.2662268482499823
Energy: -1.607687110066077
Energy: -1.6372547350035607
Energy: -0.8663019165540966
Energy: 0.604400031445708
Energy: -2.1522607368541156
Energy: -1.5709167375477113
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Energy: -1.2580795558659312
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Energy: -1.6321130415542455
Energy: -2.260215034128152
Energy: -2.5586644716662863
Energy: -1.6591093030787005
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Energy: -2.1511112072308403
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Energy: -1.69057840600893
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Energy: -1.6767558684301986
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Energy: -2.07135114778645
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Energy: -1.2952902402908535
Energy: -0.9554687846162794
Energy: -1.3854142305649493
Energy: -2.6610368051942617
Energy: -1.3540215789432664
Energy: -1.3650907562279413
Energy: 0.6331830873118317
Energy: -1.6457172508702225
Energy: -1.855678563580256
Energy: -1.7032823006707447
Energy: -1.675933952023324
Energy: -1.8461297221889286
Energy: 0.6372145294618715
Energy: -1.7686620139860125
Energy: -1.3378050001924942
Energy: -2.0095683539408338
Energy: -1.689626349473816
Energy: -2.5131879401126906
Energy: 0.6527406738570439
Energy: -1.680681213358558
Energy: -1.055904296136012
Energy: -2.2505193794926877
Energy: -1.846673088088496
Energy: -2.0847231282843968
Energy: -2.1165387520467736
Energy: -1.6994655715487763
Energy: -1.060441314714492
Energy: -1.4938848051546258
Energy: -1.6563933920189844
Energy: -0.6148987256743601
Energy: -1.0826221058212107
Energy: -2.0168516448014846
Energy: -2.145720613516915
Energy: -2.146993350756075
Energy: -1.5998010543560568
Energy: -2.356456276204399
Energy: 0.5829493917859198
Energy: -1.3225329347061459
Energy: -1.2945447526873208
Energy: -1.7710051634448984
Energy: -1.2439179521538826
Energy: -1.7728164583752581

minimum gb energy = -3.083194886681021 eV
minimum distance =  2.33579964725707 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.4410822545455186
Energy: -0.7710824969360264
Energy: -0.28327602157300863
Energy: -0.3420412689959215
Energy: -1.1367139644655404
Energy: -0.4253141613776891
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Energy: -0.33517152009963946
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Energy: -0.38622159938585054
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Energy: -0.8855494894990954
Energy: -0.34185155702852515
Energy: -0.19059688287231968
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Energy: -0.21745932528212333
Energy: -0.19429799749291166
Energy: -0.21889053261046632
Energy: -0.19959353952095632
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Energy: -0.5211105600218181
Energy: -0.18475002345372218
Energy: -0.21359044787663994
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Energy: -0.21982771401143117
Energy: 0.7962274456675968
Energy: -0.6220514229743646
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Energy: -2.4877186049385096
Energy: -0.23780280935266052
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Energy: -0.23200874589474754
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Energy: -0.2604260055234386
Energy: -0.16061009726069023
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Energy: -0.7153610497174523
Energy: -0.9702434628134282
Energy: -0.2324341852034994
Energy: -0.954176565653596
Energy: -0.8823039180084048
Energy: 0.7592694321752653
Energy: -0.27580811276602446
Energy: -0.2541761890790537
Energy: -0.21572924863017842
Energy: -0.5748252454515425
Energy: -0.2530322102789136
Energy: 1.1118850142457755
Energy: -0.2685713169700418
Energy: -0.2702240622169962
Energy: -0.392397990245196
Energy: -0.5754989538703069
Energy: -0.18249113003025652
Energy: 0.7960328958566407
Energy: -0.2722280156308552
Energy: -0.3987543178448745
Energy: -0.15668492190681468
Energy: -0.27993307385630045
Energy: -0.24897335179260546

minimum gb energy = -2.4877186049385096 eV
minimum distance =  2.39642696380451 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: -1.928342750015958
Energy: -2.1233464384128182
Energy: -0.688277324956482
Energy: -1.0157418994502574
Energy: -1.3296609244384006
Energy: -0.9130330976921334
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Energy: -1.8818831337270536
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Energy: -0.8749612207880592
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Energy: -0.7959423966798437
Energy: -3.619744779415909
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Energy: -3.0521999829869957
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Energy: -3.621636745052885
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Energy: -3.7692263875240775
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Energy: -3.1322477337052437
Energy: -3.979969859838263
Energy: 0.8689883678729146
Energy: -1.2366607615015512
Energy: -3.4771449522320204
Energy: -3.7153299585684167
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Energy: -1.0355171017474387
Energy: -3.0275169149296355
Energy: -1.0017930929746264
Energy: -2.0941802120070405
Energy: -3.5649644126202658
Energy: -3.120745087877372
Energy: 0.8324535748046548
Energy: -3.4154464558828397
Energy: -3.373728231904331
Energy: -1.0032081451474921
Energy: -1.6313008563705544
Energy: -2.7062401511622163
Energy: 1.1482945037209111
Energy: -3.8394323989642527
Energy: -3.9263122012995324
Energy: -1.4800240599131478
Energy: -3.698275556865093
Energy: -1.6085089448286563
Energy: 0.8927247426592497
Energy: -3.5686532363501904
Energy: -2.1013593871973906
Energy: -1.1390724853557521
Energy: -3.8170286284483863
Energy: -1.165941347326498

minimum gb energy = -3.979969859838263 eV
minimum distance =  2.30499785452917 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6033980739480818
Energy: -2.551967083509978
Energy: -2.6497272622522487
Energy: -2.7700417218955034
Energy: -2.865651337323966
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Energy: -0.7912490229719867
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Energy: -0.5207116526574219
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Energy: -1.8461294396179524
Energy: -1.2181352604762605
Energy: -1.0421390897585645
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Energy: -1.743313495164068
Energy: 0.9026303093294227
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Energy: -3.39682276226572
Energy: -1.6400605620563276
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Energy: -2.4320280073470104
Energy: -2.0593795253648275
Energy: -1.7891053949297564

minimum gb energy = -3.39682276226572 eV
minimum distance =  2.31269667390702 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

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Energy: -0.49652661468904624

minimum gb energy = -2.3200080946833137 eV
minimum distance =  2.32898426899286 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

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Energy: -1.1875986563745833
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Energy: -1.0398027904526967
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Energy: -0.5188550586766045
Energy: -3.0360434668236946
Energy: -2.3973220245935454
Energy: -1.0819641819470736
Energy: -2.358629890694957

minimum gb energy = -3.270714116296797 eV
minimum distance =  2.29280419380722 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.018172801192649312
Energy: -1.963747999798482
Energy: -3.0284083032586597
Energy: 0.01920161419984138
Energy: -1.9489214610421377
Energy: -3.327321793978362
Energy: 0.39759430376403454
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Energy: -3.532608330223221
Energy: -3.548280549598527
Energy: -3.288073310075703
Energy: -3.379909754854373
Energy: 1.3315837395855925
Energy: -2.038868894231374
Energy: -2.066995045852164
Energy: -1.9866278599441909
Energy: -2.0044703692178203
Energy: -2.077529619213529
Energy: 0.018987386752302278
Energy: -3.391882343648871
Energy: -3.5184258634775722
Energy: -3.6464428724118507
Energy: -3.4580245046428826
Energy: -3.5930056084870126

minimum gb energy = -3.6464428724118507 eV
minimum distance =  2.42779539615127 Angstroms
sigma value = 1