Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
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=3.658403597772121
cohesive_energy=3.8927084027090397
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=[9.72870491344212e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-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: 0.014658391157678249
Energy: 0.567380992835165
Energy: 0.015145564307724782
Energy: 0.01608656199873162
Energy: 0.5684765940943916
Energy: 0.01513943974750133
Energy: 0.5673809924120153
Energy: -5.394834521940334
Energy: -5.428540139191011
Energy: -5.414008107935267
Energy: -5.43352836989259
Energy: 0.04066645307209584
Energy: 0.015145564308030992
Energy: -5.428741119870528
Energy: 0.03943330214739426
Energy: 0.0151409321472137
Energy: -5.378413780228978
Energy: 0.04225747857164563
Energy: 0.01608656199903783
Energy: -5.458414608429015
Energy: 0.015140932149289132
Energy: 0.016564606177744752
Energy: -5.450111791284769
Energy: 0.015233117339210348
Energy: 0.5684765943870954
Energy: -5.474741584785834
Energy: -5.378412371269074
Energy: -5.522746217452911
Energy: -5.421816088913764
Energy: -5.47028465063217
Energy: 0.01513943974780754
Energy: 0.04067223247223912
Energy: 0.04225612923867724
Energy: 0.015233117339516558
Energy: -5.531961784932681
Energy: 0.015201452376907076

minimum gb energy = -5.531961784932681 eV
minimum distance =  2.57601620781274 Angstroms
sigma value = 1


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

Energy: 0.7815159627852281
Energy: -4.637473682609762
Energy: -2.895853296230794
Energy: -2.636595001362097
Energy: -3.0957500111358414
Energy: -2.8251181116494464
Energy: -2.5968154442654154
Energy: -3.6121882790665443
Energy: -3.032339012000918
Energy: -3.7200979735121695
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Energy: -2.659421297901038
Energy: -2.7602844861257037
Energy: -3.584935727115129
Energy: -2.8734058610145685
Energy: -2.8897825472213747
Energy: -2.8950915293106196
Energy: -2.952216403093734
Energy: -2.5688304001422173
Energy: -3.10810146684707
Energy: -2.840651610567068
Energy: -3.128525739386775
Energy: -3.2749428236358065
Energy: -2.8678808775315363
Energy: -2.6002830771450407
Energy: -3.046098086261683
Energy: -2.7449071659333026
Energy: -2.5958646204056253
Energy: -2.8311640974712726
Energy: 0.5154475468146409
Energy: -2.6637892815966846
Energy: -2.8764142646202724
Energy: -2.4941674241413736
Energy: -4.219746365434155
Energy: -3.0299305322131636
Energy: -3.063893802312285
Energy: -2.823069116328447
Energy: -2.4972052462003993
Energy: -2.9519334073629344
Energy: -2.8801634757492307
Energy: -3.429956924575085
Energy: -2.8710314650165567
Energy: -3.3491880504674927
Energy: -3.455716926886199
Energy: -3.862151334722715
Energy: -3.068934428254562
Energy: -3.23785495117064

minimum gb energy = -5.589898853129293 eV
minimum distance =  2.26332485507019 Angstroms
sigma value = 33


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

Energy: 1.0039123206932645
Energy: -2.659448428993025
Energy: -1.9957832407608103
Energy: -3.94206723733465
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Energy: -2.6564165669315765
Energy: -2.847357473511949
Energy: -2.267379350979559
Energy: -2.650704712998936

minimum gb energy = -5.339609460615423 eV
minimum distance =  2.28018790174188 Angstroms
sigma value = 51


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

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Energy: -1.7760891471619507
Energy: -1.812350659100818
Energy: -1.8967602680504447
Energy: -1.6058652452403315
Energy: -1.6215999390698141
Energy: 0.7525142355989555
Energy: -1.7275549840193078
Energy: -1.38254031266994
Energy: -1.6199150582152688
Energy: -1.7354188457179238
Energy: -1.8317426148733407

minimum gb energy = -2.9409154931334136 eV
minimum distance =  2.27469111294128 Angstroms
sigma value = 19


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

Energy: 0.8705942164088866
Energy: -1.7778270203000826
Energy: -1.5165779784594497
Energy: -1.340730605448315
Energy: -1.8920359050412394
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Energy: -1.24471386865729
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Energy: -1.3839655309730432
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Energy: -1.1936344687805465
Energy: -1.4999030888031752
Energy: -1.5401745221634426
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Energy: -1.5566177791223401
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Energy: -1.5799642576395554
Energy: -1.5283524868404723
Energy: -1.430941051064641
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Energy: -1.7767950144081899
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Energy: -1.5689282566301388
Energy: -1.5855831795229196
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Energy: -1.485178470555029
Energy: -1.419563514438464
Energy: -1.4234754144773645
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Energy: -1.6516929026078795
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Energy: -1.6609413329064773
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Energy: -1.511042313984959
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Energy: -1.312719545791524
Energy: -1.3333598531035193
Energy: -1.4452279917356567
Energy: -1.6006411604761426
Energy: -1.3472406479572039
Energy: -1.4394530306859332
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Energy: -1.5289336369722475
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Energy: -1.595610302216885
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Energy: -1.461835958600547
Energy: -1.7823864051815483
Energy: -1.8016375662294533
Energy: -1.4341369889424795
Energy: -1.6263667682544303

minimum gb energy = -3.017820150723133 eV
minimum distance =  2.23931116895116 Angstroms
sigma value = 27


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

Energy: 0.6992269134996921
Energy: -2.1774768317489377
Energy: -1.666299733900692
Energy: -1.3522047990703714
Energy: -1.9421525657029295
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Energy: -1.9083619963461633
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Energy: -2.1250867089651844
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Energy: -1.9073239151228076
Energy: -2.149021161815845
Energy: -2.004474834568428
Energy: -1.9680990122175859
Energy: -2.1826730022264624
Energy: 0.4157610896261381
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Energy: -1.6947829421522342
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Energy: -0.5063112616868662
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Energy: -1.9578666394604034
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Energy: 0.34516382139149976
Energy: -1.7436812879928207
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Energy: -0.8516558349952478
Energy: -1.8325131497073988
Energy: -1.9859016822175957
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Energy: -0.9793889075219823
Energy: -2.1646184683829883
Energy: -2.0045057422184844
Energy: -1.8464541813506181
Energy: -2.164002107623065
Energy: -1.8352112018641569
Energy: -1.2031552527592662
Energy: -1.959344481556498
Energy: -1.9305670738711882
Energy: -1.9925211383026484
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Energy: -1.8701372603005548
Energy: -1.8617616875993448
Energy: -1.4559726610442374
Energy: -1.8756361581970191
Energy: -1.649092980801756

minimum gb energy = -2.4045192371941067 eV
minimum distance =  2.33798604669229 Angstroms
sigma value = 9


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

Energy: -2.8217185394889914
Energy: -2.5164150055146854
Energy: -2.815276308053525
Energy: -2.3515639204803
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Energy: -2.4691389126790972
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Energy: -3.0038609487368277
Energy: -3.6381669147192404
Energy: -2.8075803830396318
Energy: -3.1608931129513604

minimum gb energy = -6.363332019079923 eV
minimum distance =  2.30436512428358 Angstroms
sigma value = 57


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

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Energy: -1.8781723828705332
Energy: -1.918247472221635
Energy: -2.3295144380460986
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Energy: -2.338028896955405
Energy: -2.00109636498029
Energy: -0.363601446665786
Energy: -2.340554552325361
Energy: -0.2245410980880709
Energy: -0.4110176224765046
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Energy: -0.6878370239418355
Energy: -2.1763723486340374
Energy: -0.33179932999958234
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Energy: -0.36116072365851426
Energy: -0.39402698884845994
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Energy: -0.7238671671594519
Energy: -1.690165030270439
Energy: -0.9300827079142441
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Energy: -1.875459589299352
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Energy: -0.4885152664543711
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Energy: -0.3725989653570834
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Energy: -0.4685685572607798
Energy: -0.4233476683038149
Energy: -2.155719459585223
Energy: -2.307709517939518
Energy: -0.6044712569035224
Energy: -2.1546888681883583
Energy: -2.3955082603680444
Energy: -0.5923796496278828
Energy: -0.4670216376272935
Energy: -0.4728585369679983
Energy: -0.37165390378414376
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Energy: -0.4669930295324378
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Energy: -0.43757377444700285
Energy: -0.3174534567761454
Energy: -0.4070844852313734
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Energy: -0.38840721260017824
Energy: -0.6741361441758875
Energy: -0.4311121048307238
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Energy: -0.47657517703467334
Energy: -2.178431287046659
Energy: -0.3838500321839821
Energy: -0.4760690180540996

minimum gb energy = -2.5283594591694034 eV
minimum distance =  2.38866953166472 Angstroms
sigma value = 11


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

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Energy: -2.9750021881543907
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Energy: -3.226506754028889
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Energy: -3.8193117566341446
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Energy: -4.172328878217848
Energy: -3.1395960520344373
Energy: -3.6287976109548272
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Energy: -3.757922774370132
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Energy: -3.8397410452627385
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Energy: -3.2783608231087342
Energy: -4.027987455209739
Energy: -3.881426712699761
Energy: -3.942829051502568
Energy: -3.9429058566266617
Energy: -4.232663476537182
Energy: -3.4623924816965674
Energy: -4.032732788602563
Energy: -3.9596001936136505
Energy: -4.132000933587788
Energy: -3.593536197704436
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Energy: -2.9509870345550673
Energy: -3.89840209855742
Energy: -3.5041292282339147
Energy: -3.9179211950538653
Energy: -3.604552375110443
Energy: -3.2556254941375955

minimum gb energy = -4.569443052201773 eV
minimum distance =  2.27147480728483 Angstroms
sigma value = 41


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

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Energy: -1.7243868262357112
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Energy: -2.518292590916313
Energy: -1.7144853024693862
Energy: -1.0414276253214407

minimum gb energy = -2.951682916146442 eV
minimum distance =  2.26157703713046 Angstroms
sigma value = 33


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

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minimum gb energy = -4.854446937005576 eV
minimum distance =  2.32479683639244 Angstroms
sigma value = 67


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

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minimum gb energy = -2.060469630935246 eV
minimum distance =  2.37606963243323 Angstroms
sigma value = 3


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

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minimum gb energy = -7.594867050413443 eV
minimum distance =  2.26316399147571 Angstroms
sigma value = 81


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

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Energy: -3.327650668044118
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Energy: -3.277570807611967
Energy: -3.079491543159792
Energy: -1.8335398327217578
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Energy: -4.181616870341656
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Energy: -2.4848707960366823
Energy: -3.1021485174998666
Energy: -3.62192568140874
Energy: -3.7104515043379838
Energy: -3.250057653482717
Energy: -4.610710060084126
Energy: -3.5834776220886457
Energy: -2.256923273882707
Energy: -2.9319521029227724
Energy: -2.7851345525455233
Energy: -4.05109808225432
Energy: -3.0538240153607545
Energy: -4.121252568982754
Energy: -1.9592974409619983
Energy: -3.7685721029751087
Energy: -1.94145527942765
Energy: -2.1833719746895945
Energy: -4.3519867666485474
Energy: -1.5643361876501707

minimum gb energy = -5.117591191122461 eV
minimum distance =  2.39428824111652 Angstroms
sigma value = 43


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

Energy: -1.6051142406704635
Energy: -1.204752610913237
Energy: -1.3707288832202755
Energy: -1.5192903192612892
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Energy: -1.9803668708185207
Energy: -2.0569513697956054
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Energy: -1.8083252566147512
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Energy: -2.1498562754141175
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Energy: -3.303505407988616
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Energy: -2.053077846268011
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Energy: -2.06185040836619
Energy: -2.3171365377550224
Energy: -1.7366027069360184
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Energy: -1.9530055956429375
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Energy: -3.270098572888783
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Energy: -3.474752028618655
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Energy: -1.7580430470013555
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Energy: -1.7743257569775845
Energy: -1.5882245367884316
Energy: -3.513137722349897
Energy: -1.48757563319086
Energy: -1.727386933473984
Energy: -3.406980432132642
Energy: -2.156706042705494
Energy: -2.067179943580138
Energy: -2.288956957560248
Energy: -2.317180373694599
Energy: -1.7221354924561385
Energy: -2.359890470830539
Energy: -2.142100817414697
Energy: -3.1447959163299837
Energy: -3.4111547213353006
Energy: -2.4974152244689516
Energy: -3.3783205412881974
Energy: -2.7140453248011394
Energy: -1.9047432477239787
Energy: -1.6745712419103358
Energy: -1.792592897384275
Energy: -1.9156482956380922
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Energy: -1.7834080601436333
Energy: -2.2591274407546793
Energy: -2.926501389066575
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Energy: -2.8137102556758258
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Energy: -1.7946668854263668
Energy: -2.3047148932208033
Energy: -2.1556528074562378
Energy: -2.989131066667029
Energy: -2.6975834796412976
Energy: -1.776167253419489
Energy: -1.7153550599643894
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Energy: -2.4683374637846542
Energy: -2.662854588496157
Energy: -2.9354707329402716
Energy: -2.8033706748857976
Energy: -1.847527336059918
Energy: -1.9925122091440433
Energy: -1.666789850820784
Energy: -3.4120505973844644
Energy: -1.7227154430722276
Energy: -3.1778082242645165
Energy: -3.4467858323353564
Energy: -2.0847385037789965
Energy: -2.487322890251109
Energy: -1.562633057617195
Energy: -1.772612825673567
Energy: -1.5939617014523346
Energy: -1.626027650048633
Energy: -1.6772960354735131
Energy: -1.3544517447129465
Energy: -1.5283589816851382
Energy: -2.7989849983575135
Energy: -1.5379962115503443
Energy: -3.0357753049890146

minimum gb energy = -3.853946278579806 eV
minimum distance =  2.29240639554053 Angstroms
sigma value = 57


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

Energy: -2.166795628261031
Energy: -2.1928875007523354
Energy: -2.173160306391414
Energy: -2.8550437100240456
Energy: -1.9856153029910908
Energy: -2.150489235273026
Energy: -2.7359732546590756
Energy: -2.5451151132674874
Energy: -2.416535532250883
Energy: -2.34045188526874
Energy: -2.0676896250194434
Energy: -2.42733510666951
Energy: -2.4300225400694475
Energy: -2.098528459926688
Energy: -2.1797006696117767
Energy: -2.2897201147350565
Energy: -1.8692198430186941
Energy: -2.1114656760040122
Energy: -3.2975982149247844
Energy: -1.755409951328782
Energy: -1.9552123094820781
Energy: -2.208408265017472
Energy: -2.0634808027142033
Energy: -2.1425221240269283
Energy: -3.26432790492373
Energy: -2.1987978855769543
Energy: -2.1439488160358797
Energy: -2.3088008497518797
Energy: -1.996103307267057
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Energy: -3.0874387906459373
Energy: -1.8796210742064916
Energy: -1.9580590082976754
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Energy: -2.3681525997834205
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Energy: -2.0361436395855925
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Energy: -2.3622210970014166
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Energy: -2.1621866855309566
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Energy: -2.376338253545315
Energy: -2.3844439356892564
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Energy: -2.218909617678621
Energy: -3.2535298625952813
Energy: -3.310325244583993
Energy: -2.3154072162866144
Energy: -2.2367335580936825
Energy: -2.682360041606372
Energy: -2.286080496568925
Energy: -2.346608254703287
Energy: -3.267254303845402
Energy: -2.4388254926292907
Energy: -2.3860739303640304
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Energy: -2.313204657134951
Energy: -2.3927287181458126
Energy: -3.2815775441438158
Energy: -2.2505124989859007
Energy: -2.073827733386633
Energy: -2.036699526107114
Energy: -2.4781168717241218
Energy: -2.164465473681275
Energy: -2.6773835499355974
Energy: -1.5747988963078932
Energy: -2.110794946189771
Energy: -2.088098543491822
Energy: -2.3371777106121705
Energy: -2.3527822297335628
Energy: -2.675614338445791
Energy: -2.1198489552105175
Energy: -2.2682967742098965
Energy: -2.368937561229263
Energy: -2.37606092007997
Energy: -2.3013229333166607
Energy: -2.768329276542023
Energy: -2.311582047560513
Energy: -2.2619938927700773
Energy: -2.0627898610015833
Energy: -2.3018498306809017
Energy: -2.358712758386725

minimum gb energy = -3.3707258122424153 eV
minimum distance =  2.3473432361765 Angstroms
sigma value = 17


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

Energy: -3.016641881623823
Energy: -2.1911725195963117
Energy: -2.258866894007987
Energy: -2.0427719128860193
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Energy: -3.3917452683122313
Energy: -1.8650952794637337
Energy: -2.204499576998684
Energy: -2.2414040548489864
Energy: -2.075381122958269
Energy: -2.1028849447129034
Energy: -3.526485403751221
Energy: -2.6514234991370444
Energy: -2.0593185580777233
Energy: -2.9880954358265712
Energy: -2.549451442330741
Energy: -2.3449120529869516
Energy: -3.6580335707373197
Energy: -1.9696608071290258
Energy: -2.5967252273859285
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Energy: -2.2050946938636833
Energy: -2.4425213352043467
Energy: -3.441637618296131
Energy: -2.327021534966137
Energy: -2.1770140427227793
Energy: -2.272670513102977
Energy: -2.441019612391309
Energy: -2.0962761086350374
Energy: -3.435878404333116
Energy: -2.1785361397314076
Energy: -2.0588139521219286
Energy: -2.24075517539567
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Energy: -2.965812013526479
Energy: -2.182039105794982
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Energy: -2.314108058149187
Energy: -2.2930971380656486
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Energy: -2.8738471685723215
Energy: -2.3846862145579983
Energy: -2.3155960228685557
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Energy: -2.2777717522537744
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Energy: -2.3260742388048135
Energy: -2.0857084226639415
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Energy: -2.3526514982789704
Energy: -2.134513202295656
Energy: -3.5572384160681225
Energy: -2.159743034738533
Energy: -2.324792486443877
Energy: -2.1256025908312393
Energy: -2.271073206846281
Energy: -1.7025334963185954
Energy: -3.000666155830479
Energy: -2.1823504585784326
Energy: -2.1615963483840126
Energy: -2.275021121970375
Energy: -2.2102301678379765
Energy: -2.0915643172562453
Energy: -2.663456576275302
Energy: -2.3216902951588434
Energy: -2.2905477066885913
Energy: -2.077950092949507
Energy: -2.3180382883311275
Energy: -1.9211193514777223

minimum gb energy = -3.6580335707373197 eV
minimum distance =  2.31640897073756 Angstroms
sigma value = 17


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

Energy: -4.497429687628821
Energy: -3.1071365552114796
Energy: -2.62457888214131
Energy: -2.6927859459411008
Energy: -3.0611440067769187
Energy: -2.7863962094568024
Energy: -4.5500017404355955
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Energy: -3.0228090550122277
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Energy: -3.1563984996121595
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Energy: -3.091300608320189
Energy: -2.8826237145083025
Energy: -4.520167467862138
Energy: -2.8900111419954504
Energy: -2.9599087714694425
Energy: -2.9381948410811933
Energy: -3.0438350837871297
Energy: -3.23118678758401
Energy: -4.818012761122361
Energy: -3.2303473939772536
Energy: -3.281097659673572
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Energy: -3.887411499122829
Energy: -2.972186200687611
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Energy: -3.110772570015818
Energy: -3.382468384954634
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minimum gb energy = -5.063991213695143 eV
minimum distance =  2.29911071428274 Angstroms
sigma value = 57


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

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Energy: -3.7902175811511754
Energy: -4.104742058161261
Energy: -4.3992533985694156
Energy: -3.7392427794157883

minimum gb energy = -6.229472383948274 eV
minimum distance =  2.31135137827768 Angstroms
sigma value = 43


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

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Energy: -2.5991492775686793
Energy: -2.5687543995670765
Energy: -2.5759165802720747
Energy: -2.586541570666407

minimum gb energy = -4.471672699406678 eV
minimum distance =  2.29036533529077 Angstroms
sigma value = 81


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

Energy: 0.004112416890912683
Energy: -0.24652255655413619
Energy: -0.07306150016479737
Energy: 0.005718294799349417
Energy: -0.06594622576636942
Energy: -0.07276338274206778
Energy: -0.10171059850861124
Energy: 0.007513073725000958
Energy: 0.005046223238260299
Energy: -0.10755630063980465
Energy: 0.006121319069642304
Energy: -0.07198895569155349
Energy: -0.032276818218270616
Energy: -0.06755898092599132
Energy: -0.07556708330386677
Energy: -0.10271639044747215
Energy: -0.06849274067260637
Energy: -0.07570745834321094
Energy: 0.005668759016823159
Energy: -0.06820044078606766
Energy: -0.06773629604343379
Energy: 0.006270492315351118
Energy: -0.06835356284545312
Energy: -0.0752919354411674
Energy: -0.10654157481683683
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Energy: -0.10133183806290545
Energy: 0.005078970133832935
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Energy: -0.0702049535367578
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Energy: -0.10666767997461248
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Energy: -0.07594970717952138
Energy: 0.006232786394591217
Energy: -0.06819011177735265
Energy: -0.06808491726989244
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Energy: -0.11248175673407192
Energy: -0.10681454573346379
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Energy: -0.107409481455678
Energy: -0.06786885988111936
Energy: -0.10625081878791738
Energy: -0.06518744748495701

minimum gb energy = -0.24652255655413619 eV
minimum distance =  2.42824898686183 Angstroms
sigma value = 3


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

Energy: -1.3718857992413622
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Energy: -2.5495150971043112
Energy: -1.8169746821568329
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Energy: -2.6595795235908057
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Energy: -1.251703096594006
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Energy: -2.323742028222094
Energy: -3.0040672460520637
Energy: -4.319524082627734
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Energy: -3.394955321862458
Energy: -4.158556408907603
Energy: -4.16478671203961
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Energy: -2.562141727768279
Energy: -4.623125559168619
Energy: -2.3960491761905085
Energy: -3.3953171521915233
Energy: -2.9112184236587684

minimum gb energy = -4.889429286764183 eV
minimum distance =  2.28390357434362 Angstroms
sigma value = 67


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

Energy: -2.098869962987281
Energy: -4.65005715676119
Energy: -6.9154263512481675
Energy: -2.9969863077422407
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Energy: -5.246401856645752
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Energy: -4.9906775757434
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Energy: -6.219558687431509
Energy: -5.474153133349291
Energy: -4.437746423672533
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Energy: -5.243802999581378
Energy: -5.543313395821616
Energy: -5.4053742851158955
Energy: -5.694882871226903

minimum gb energy = -7.661913655766726 eV
minimum distance =  2.29463906072156 Angstroms
sigma value = 33


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

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Energy: -0.7023234278861276
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Energy: -3.008975982601258
Energy: -3.10193443846603
Energy: -3.86515394346604
Energy: -2.653032809675586
Energy: -3.12059851654857
Energy: -3.148410704108766
Energy: -3.03133015917163
Energy: -2.9092507180323106
Energy: -3.610177914409817
Energy: -2.93072231343037
Energy: -2.4443355649201512
Energy: -2.783068892417004
Energy: -3.2155363840473044
Energy: -3.259843187612894
Energy: -2.4614370406454493
Energy: -3.3048968136735506
Energy: -3.313908710991692
Energy: -2.5235057212518828
Energy: -4.483470572667367
Energy: -3.0207191130696054
Energy: -3.062163073917614
Energy: -2.8923188031080684
Energy: -3.2101597589371975
Energy: -3.3523201770447
Energy: -3.240597540220873
Energy: -3.008968419274534
Energy: -4.350974835523
Energy: -2.2608618464218977
Energy: -2.718325070360125
Energy: -4.53055840952592
Energy: -2.309611410817685
Energy: -4.4614679065319365

minimum gb energy = -5.852252585014892 eV
minimum distance =  2.27904565604873 Angstroms
sigma value = 41


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

Energy: -0.1894571452815549
Energy: -2.320601880156713
Energy: -1.4673189439208247
Energy: -2.4993525744736216
Energy: -1.8964206962145898
Energy: -1.4566214653004539
Energy: -1.6718769390345491
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Energy: -2.81883815190335
Energy: -2.086442212412575
Energy: -2.4995677595447727
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Energy: -2.428168288976421
Energy: -2.9486629145281373
Energy: -3.302805585179903
Energy: -2.364278834691797
Energy: -2.561060321972191
Energy: -2.663954213848629
Energy: -2.6217530946633194
Energy: -2.5461702585212382
Energy: -2.845510506361162
Energy: -2.1983952725074474
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Energy: -2.075068529399622
Energy: -2.5826001042842694
Energy: -2.802649020618605
Energy: -1.7429302616037727
Energy: -2.2193612871516746
Energy: -2.529353317651698
Energy: -2.0972308342077253
Energy: -2.1185968828003654
Energy: -1.9762711426738155
Energy: -2.8536863304784807
Energy: -2.3223309453858483
Energy: -1.718561056890527
Energy: -2.5392689393981325
Energy: -2.2531203953835646
Energy: -2.125351652930448
Energy: -2.55278863078896
Energy: -2.6241895242550237
Energy: -2.294690528909026
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Energy: -2.793045361259108
Energy: -2.7455064329954144
Energy: -2.76764371426647
Energy: -2.8851640787544266
Energy: -2.8573518207713815
Energy: -2.7678866143656466
Energy: -2.7373228070405777
Energy: -1.9624453861703721
Energy: -2.4802864769748303
Energy: -2.8240557462136535
Energy: -1.4188165616478423
Energy: -2.6557454674568746
Energy: -2.8930495983482167
Energy: -2.3136579106589092
Energy: -2.585298629146608
Energy: -2.869444498707769
Energy: -2.5654201788335533
Energy: -2.691394944629609
Energy: -1.9237767421229863
Energy: -2.1261526678048197
Energy: -1.802275317197177
Energy: -1.8676246429270098
Energy: -2.4407975123609518
Energy: -1.981608670441503
Energy: -1.8999492713960469
Energy: -2.878744138337145
Energy: -3.0178342747756037
Energy: -2.0032777737492187
Energy: -2.421112835201978
Energy: -2.8840318257256263
Energy: -4.008468091671489
Energy: -2.1474096041004116
Energy: -2.0868922032001413
Energy: -2.7066742376210513
Energy: -2.1362314601266785
Energy: -1.6965268543879604

minimum gb energy = -4.008468091671489 eV
minimum distance =  2.328392760754 Angstroms
sigma value = 11


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

Energy: -2.088218390377113
Energy: -2.5606854096643867
Energy: -1.0030605342416454
Energy: -1.0358868376167227
Energy: -2.1932626512255746
Energy: -1.2015707355290315
Energy: -1.1375302231947073
Energy: -2.303126670159652
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Energy: -2.4444473651370227
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Energy: -1.9954462068528727
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Energy: -2.572321690063688
Energy: -2.2145070400200084
Energy: -3.275568114678584
Energy: -2.249320686085058
Energy: -2.646821024672736
Energy: -1.8923138260423804
Energy: -1.8963250400543872
Energy: -2.747479795922901
Energy: -2.8591711577788277
Energy: -2.4283587829130053
Energy: -3.1652616727265874
Energy: -2.2779104517139315
Energy: -2.063831272459596
Energy: -2.955409795607896
Energy: -2.307201967483695
Energy: -2.127403448633422
Energy: -2.0793920551883867
Energy: -2.9268762225816047
Energy: -3.2048481244289455
Energy: -2.5967865197016136
Energy: -2.124750771047451
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Energy: -2.583602591889279
Energy: -3.121817819032081
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Energy: -1.8270492352548025
Energy: -2.9205751570222382
Energy: -2.1269943537199927
Energy: -1.7674202523996354
Energy: -2.1042119189567354
Energy: -1.4153900550128435
Energy: -1.99388564481327
Energy: -2.38608533156497
Energy: -1.603755385582391
Energy: -2.265605331098584
Energy: -2.04465554036531
Energy: -2.1314991933751175
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Energy: -2.0901689213417542
Energy: -1.718361911178602
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Energy: -2.4233543974141165
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Energy: -1.8524836764445427
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Energy: -2.4023225644554116
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Energy: -1.5629362054393636
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Energy: -1.7464809314676175
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Energy: -2.451225698268515
Energy: -2.064247464954496
Energy: -3.2093313504246033
Energy: -2.445162629847181
Energy: -1.6980953800414085
Energy: -2.2860220273976726
Energy: -1.7561381865918775
Energy: -2.536197724907898
Energy: -2.344610414572462
Energy: -2.334825603979053
Energy: -2.24252151959227
Energy: -3.150711674894114
Energy: -1.5492489480326124
Energy: -2.566363934302097
Energy: -1.2532118652247235
Energy: -2.1483870737437343
Energy: -3.0809568768403857
Energy: -2.2766526654562154
Energy: -2.18199883175679
Energy: -2.0557683597014673
Energy: -2.448124504929029
Energy: -1.4761009218968326
Energy: -1.8266314067720115
Energy: -2.2631883981596412
Energy: -2.7010468568429404
Energy: -1.2544614590630596
Energy: -1.5424175893089185
Energy: -2.995290212466277
Energy: -2.6722906127906927
Energy: -1.8644399115830448
Energy: -2.7845646725755304
Energy: -2.277399110940306
Energy: -2.469662632140326
Energy: -1.596171187505884
Energy: -1.7554696451524652
Energy: -2.225930193208613
Energy: -2.5881103462013257
Energy: -2.4470311516437917

minimum gb energy = -3.6300326986857514 eV
minimum distance =  2.29224834547478 Angstroms
sigma value = 57


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

Energy: -0.12634603810137995
Energy: -1.5802588354972391
Energy: -1.5941870018917559
Energy: -0.9308686562374312
Energy: -3.3011874791186204
Energy: -2.0646914447026523
Energy: -2.1486502091285304
Energy: -1.5342385758599733
Energy: -1.9792744427431654
Energy: -1.7123447098217333
Energy: -1.434515858523386
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Energy: -1.2724455376426214
Energy: -1.0731608109122792
Energy: -1.3543742297468395
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Energy: -1.741543099761825
Energy: -2.005642470882478
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Energy: -1.8261701529433316
Energy: -1.7175646308984611
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Energy: -1.9959468536400649
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Energy: -1.9709513536497456
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Energy: -1.6390633881611554
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Energy: -1.7201854357627107
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Energy: -1.4578832702475968
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Energy: -1.4071761453015148
Energy: -1.5068331301671547
Energy: 0.7280947714101673
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Energy: -1.7114225222955153
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Energy: -1.7383535574782347
Energy: -1.6842453190156468
Energy: -1.8508547533005675
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Energy: -1.1946540157421777
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Energy: -1.1624436785066405
Energy: -1.4334631878514177
Energy: -1.9448036456241
Energy: -2.2496114829877794
Energy: -1.542561312363092
Energy: -1.4964372797662098
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Energy: -2.0356567640855308
Energy: -1.7974000514946713
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Energy: -1.9473978297637313
Energy: -1.6784750755836546
Energy: -1.170049013442378
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Energy: -1.302503639471173
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Energy: -2.0178120014945953
Energy: -1.562906218958226
Energy: -1.8453808329318921
Energy: -1.7367641529530142
Energy: -1.6658256158763163
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Energy: -1.9937026502301671
Energy: -2.310016186474342
Energy: -1.9074417468696994
Energy: -1.758749019369856
Energy: -2.211228751539163
Energy: -1.9349925860112733
Energy: -2.0023514266703493
Energy: -1.502235983006046
Energy: -1.7127604929386866
Energy: -1.740820041601842
Energy: -1.5093117603961368
Energy: -2.0278915596215543
Energy: 0.7630654011631617
Energy: -1.525935835922282
Energy: -1.1171559226175127
Energy: -1.4245340687619044
Energy: -1.5516290654484441
Energy: -2.479925671643965
Energy: -2.0080769786330293
Energy: -1.5472410516210575
Energy: -1.5465942056719606
Energy: -1.424940830287548
Energy: -1.3698372046168854
Energy: -1.399551140438113

minimum gb energy = -3.7680193891048095 eV
minimum distance =  2.27873560273943 Angstroms
sigma value = 9


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

Energy: -2.4171508035487745
Energy: -2.4918201067734116
Energy: -2.870478810747875
Energy: -1.7086160997753537
Energy: -1.9631188900439465
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Energy: -3.6727015550243305
Energy: -2.1562769830628445
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Energy: -3.7348289314254393
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Energy: -2.421836795915078
Energy: -2.5763298771082677
Energy: -2.825679686829067
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Energy: -3.271431978172982
Energy: -2.745746760513014
Energy: -4.7540354583777145
Energy: -3.2898547372295277
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Energy: -2.651121188818034
Energy: -3.112853997160453
Energy: -2.4358788048097657
Energy: -2.514740637034507
Energy: -2.5991943928513845
Energy: -2.4816419888782084
Energy: -4.0086397669832925
Energy: -2.2534272578327514
Energy: -3.7758066875139655
Energy: -2.9884379929012783
Energy: -2.1759855032908724
Energy: -3.5692940442730556
Energy: -2.6688545877041223
Energy: -2.428851318945082
Energy: -2.8389165166583945
Energy: -2.2203483496689738
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Energy: -2.6789061859338865
Energy: -2.5116012181680567
Energy: -2.7419316853026663
Energy: -2.8460823239126536
Energy: -2.396915901426006

minimum gb energy = -4.7540354583777145 eV
minimum distance =  2.30539785295415 Angstroms
sigma value = 27


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

Energy: 1.3028896506577958
Energy: -2.479678734371216
Energy: -2.649841408018378
Energy: -2.573024646779023
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Energy: -2.802328130907352
Energy: -2.9322304388375975
Energy: 0.6978701112434263
Energy: -2.9994200990125943
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Energy: -3.8694361156373476
Energy: -3.210823356170275
Energy: -3.074139163174308
Energy: -2.8252010543182124

minimum gb energy = -3.993626432557694 eV
minimum distance =  2.24266409748283 Angstroms
sigma value = 19


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

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Energy: -1.7469781494034287
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Energy: -1.4279557352189223
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Energy: -1.2558036699378596
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Energy: -1.8340414537822705
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Energy: -2.0568090615485266
Energy: -1.803485835576218
Energy: -1.4497409134451635
Energy: -1.7559110481873674
Energy: -1.666433733753266
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Energy: -1.4593866701526683
Energy: -1.705248900059769
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Energy: -1.7077456225579344
Energy: -1.7452435246020426
Energy: -1.20381232460063
Energy: -1.6116943762465417
Energy: -1.108650323127475

minimum gb energy = -3.2968526555319837 eV
minimum distance =  2.27883391591984 Angstroms
sigma value = 101


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

Energy: -1.662730392958356
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Energy: -1.7954286170900726
Energy: -2.195936165299183
Energy: -1.5534114786367805
Energy: -1.6235900696340027
Energy: -1.6926712107541917
Energy: -1.581120356032929
Energy: -1.7517077107242516
Energy: -1.597574399879139
Energy: -1.6649764382165861
Energy: -1.5795441429516865
Energy: -1.5750882486390898
Energy: -1.5939562579277502
Energy: -1.4852042658006548
Energy: -2.157879663605983
Energy: -1.5528433626620446
Energy: -1.4447831656011079
Energy: -1.542792295471122
Energy: -2.93732515695478
Energy: -1.7870929211504427

minimum gb energy = -3.249874171509382 eV
minimum distance =  2.30268165602521 Angstroms
sigma value = 33


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

Energy: 0.016584076484807028
Energy: -3.6998046767326347
Energy: -3.8673532222873703
Energy: 0.017971380106507975
Energy: -3.9138487956198924
Energy: -1.7734427514413371
Energy: 0.2750287536275621
Energy: -2.703484465713198
Energy: -4.097937829062872
Energy: -1.4095454409833335
Energy: -2.923340059255178
Energy: -1.7109067459551306
Energy: 1.2599388886409588
Energy: -3.293701792555745
Energy: -3.2127594417303134
Energy: -2.7235309910136887
Energy: -3.3912299134052
Energy: -3.3130397308921737
Energy: 0.0172801962797713
Energy: -4.219143851306276
Energy: -2.703983024168856
Energy: -1.4050223518915719
Energy: -4.146569007556808
Energy: -1.7109067520535495

minimum gb energy = -4.219143851306276 eV
minimum distance =  2.4090200637024 Angstroms
sigma value = 1