Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_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=3.6583663821220402
cohesive_energy=4.00235933929048
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=[1.0231756332985438e-19, 1.94278336462206e-19, 2.53892124660078e-19, 3.08872418032422e-19, 3.63783817809504e-19, 4.1530501182904196e-19, 4.600457943334919e-19, 4.973733055524239e-19, 5.2764643305185395e-19, 5.51695104328194e-19, 5.70910008699756e-19, 5.864094654570719e-19, 5.989865520339719e-19, 6.09226062901866e-19, 6.17570198811738e-19, 6.243073515577079e-19, 6.29621771452686e-19, 6.336688696301699e-19, 6.36596046340488e-19, 6.38606778016158e-19, 6.39915756326136e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39375822800478e-19, 6.375269109648419e-19, 6.34737521445048e-19, 6.308922975234479e-19, 6.25996045729944e-19, 6.200631856542419e-19, 6.13082502059904e-19, 6.04858529397582e-19, 5.9496028215273e-19, 5.828286006800819e-19, 5.67553448651526e-19, 5.471305030979279e-19, 5.17938844826448e-19, 4.75208793997668e-19, 4.1415304682919595e-19, 3.32885841422814e-19, 2.31767667521172e-19, 1.152807744755484e-19, -8.66155914460008e-21, -1.542612513277782e-19, -3.4849584836787596e-19, -6.2096360892255e-19, -1.046235761591706e-18, -1.7620738620731997e-18, -2.9885080318675195e-18, -5.1356650479226195e-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: 0.01507159963526673
Energy: 0.5542826622396593
Energy: 0.01607764811742265
Energy: 0.016106792204705248
Energy: 0.5554948913329951
Energy: 0.02011385541804097
Energy: 0.5542826594722381
Energy: 0.02868270590671082
Energy: 0.031158717992370643
Energy: 0.032329191647883095
Energy: 0.029563321189085043
Energy: 0.02829056196640608
Energy: 0.016077648116844243
Energy: 0.031157195292279543
Energy: 0.02821710439260143
Energy: 0.015924529014222925
Energy: 0.028201978009941085
Energy: 0.029370343991283493
Energy: 0.016106792204705248
Energy: -5.160324693241264
Energy: 0.015924529014222925
Energy: 0.016647741252331028
Energy: -5.12306939612992
Energy: 0.015999496630119334
Energy: 0.555495067400584
Energy: 0.02956324412584592
Energy: 0.028202877055614164
Energy: 0.03235417725323549
Energy: 0.031139254890744303
Energy: 0.027797089442131623
Energy: 0.0201138554189256
Energy: 0.028289093080351588
Energy: 0.02937332990819143
Energy: 0.015999496632194802
Energy: 0.027771751744335858
Energy: 0.015753535741517635

minimum gb energy = -5.160324693241264 eV
minimum distance =  2.57324882990195 Angstroms
sigma value = 1


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

Energy: 0.6858978974286362
Energy: -4.045407852409891
Energy: -2.8192765585373274
Energy: -2.493419800258276
Energy: -3.973994999038832
Energy: -2.837338672479476
Energy: -2.820501908391561
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Energy: -3.102362767388689
Energy: -4.302142374096511
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Energy: -2.708910329026255
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Energy: -2.7899490622372944
Energy: -3.3284974475377163
Energy: -2.773334479307035
Energy: -2.991480266345105
Energy: -2.666235013059568
Energy: -3.141949675082961
Energy: -3.8488102718911965
Energy: -2.8886597229129354
Energy: -2.9372433002990266
Energy: -2.5906396680702795
Energy: -2.732609371086035
Energy: -4.3626206078093155
Energy: -2.641319386215492
Energy: -2.968501837404398
Energy: -2.368075165594881
Energy: -2.7474250287936886
Energy: -2.536863351369714
Energy: -2.4743448999501374
Energy: -4.349486227374724
Energy: -3.316472081022756
Energy: -2.485376578071534
Energy: -2.63850319303646
Energy: -2.868001701243072
Energy: -2.865942753176862
Energy: -3.1187294575622637
Energy: -2.8206615304096148
Energy: -3.264176854067087
Energy: -2.527290455999393
Energy: -3.334818729184959
Energy: -3.26997047929313
Energy: -2.584645314454008
Energy: -3.679955083921702

minimum gb energy = -5.757143700735383 eV
minimum distance =  2.30843732154428 Angstroms
sigma value = 33


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

Energy: 1.051358025217515
Energy: -3.632644982608428
Energy: -2.1278862023753367
Energy: -4.0503676289099735
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Energy: -1.9541742243303524
Energy: -2.308644312145355
Energy: -2.0711331243420448
Energy: -2.048733875673013

minimum gb energy = -4.525526209229698 eV
minimum distance =  2.26763524113309 Angstroms
sigma value = 51


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

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Energy: -1.6807898915086465
Energy: 0.6397513442999142
Energy: -1.5658936921268924
Energy: -1.712003035441061
Energy: -1.8793343902556232
Energy: -1.6129701382745296
Energy: -1.5606646942833975
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Energy: -1.7851138300219438
Energy: -1.6915314412009945
Energy: -1.8361535738891295
Energy: -1.6973202284506728
Energy: -1.5519503272091506

minimum gb energy = -2.666944777404989 eV
minimum distance =  2.28743909386127 Angstroms
sigma value = 19


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

Energy: 0.6425391516719219
Energy: -1.6039594339741374
Energy: -1.3802402732424055
Energy: -0.9196646433943372
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Energy: -1.580413458342374
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Energy: -1.6668609223496218
Energy: -1.5445476525995938
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Energy: -1.582916540413864
Energy: -0.4100749490448675
Energy: -1.639459002749474
Energy: -1.587534678197368
Energy: -0.42455459220956093
Energy: -1.6388741173006833
Energy: -1.5910613413492043
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Energy: -0.4274191610010387
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Energy: -0.11482929716703606
Energy: -1.365425281658366
Energy: -1.493024658831187
Energy: -0.09482597174160193

minimum gb energy = -2.1055983778245855 eV
minimum distance =  2.30429197081089 Angstroms
sigma value = 27


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

Energy: 0.6481841999277603
Energy: -2.705775744793829
Energy: -1.735818035465658
Energy: -1.2426194042101992
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Energy: -1.8904238658215728
Energy: -1.932753608613991
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Energy: -2.1177102348461085
Energy: -1.537068076086138
Energy: -2.1276251411117126
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Energy: -1.9020192677437693
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Energy: -1.97229792561821
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Energy: -2.1582254304813113
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Energy: -1.6806513693563365
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Energy: -2.0536340097863577
Energy: -2.052353805616831
Energy: -1.7338699156488742
Energy: -2.207425797306049
Energy: -1.71094766807861
Energy: -0.8352317459086398
Energy: -1.8633207549519488
Energy: -1.955233305424015
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Energy: -1.7918782214090245
Energy: -1.9119109576116329
Energy: -1.2306652028897929
Energy: -2.158131787810851
Energy: -1.622877057974582

minimum gb energy = -2.705775744793829 eV
minimum distance =  2.33540539044132 Angstroms
sigma value = 9


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

Energy: -2.816706009625422
Energy: -2.467924592418781
Energy: -2.580283159874321
Energy: -2.5637840758241346
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Energy: -2.5419718499532324
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Energy: -2.942689138417193
Energy: -3.1135495183965833
Energy: -2.927641012223015
Energy: -2.826807576378111

minimum gb energy = -4.9728265334676545 eV
minimum distance =  2.32820150728713 Angstroms
sigma value = 57


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

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Energy: -2.55711259808706
Energy: -2.2411283181240425
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Energy: -0.30425497667013685
Energy: -0.4674552932644463
Energy: -2.018197408300504
Energy: -1.9849648304330758
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Energy: -1.9564941494968568
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Energy: -0.45949602843005133
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Energy: -2.231043584320915
Energy: -0.43855346212244767
Energy: -0.5580522922945776
Energy: -0.5856645227933692
Energy: -0.5467416144378193
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Energy: -0.3917278887290382
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Energy: -0.7323251411089043
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Energy: -0.5721250512943047
Energy: -0.5827307663087422
Energy: -2.3456238891746275
Energy: -1.998334667404747
Energy: -0.6821107252977442
Energy: -1.9705141540613933
Energy: -2.2130043727591837
Energy: -0.8135724562689343
Energy: -0.5539317854715736
Energy: -0.5550433741395783
Energy: -0.4524025568358026
Energy: -2.356048186593103
Energy: -0.5580154493447711
Energy: -0.8233631732601612
Energy: -0.3368968372812093
Energy: -0.49976933868117246
Energy: -0.3999157047205577
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Energy: -0.3815397594692856
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Energy: -0.3908039244534535
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Energy: -0.44023300637001783
Energy: -2.3391036238005483
Energy: -0.45413917186846314
Energy: -0.4619574934112991

minimum gb energy = -2.782892795905985 eV
minimum distance =  2.36842148635636 Angstroms
sigma value = 11


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

Energy: -3.1532409450844443
Energy: -3.014884969074567
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Energy: -4.00436638303433
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Energy: -2.9529588842590355
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Energy: -3.66237642346135
Energy: -3.599196267074142
Energy: -3.9248768558597678
Energy: -3.5788775653079856
Energy: -3.237272320251797
Energy: -3.7640246180627708
Energy: -3.1628203520951224
Energy: -4.284567208992839
Energy: -4.055749680280298
Energy: -3.800562912976495
Energy: -4.448564973767145
Energy: -3.6684135689669075
Energy: -3.4421862146952944
Energy: -4.025189594596337
Energy: -3.9770707818803177
Energy: -3.880623888430803
Energy: -3.983554225014077
Energy: -4.123545399591349
Energy: -3.0337113662902064
Energy: -3.35144235502701
Energy: -4.079770506316145
Energy: -3.8892752609597165
Energy: -3.9230343100158453
Energy: -3.7047150781370872

minimum gb energy = -5.00345707761737 eV
minimum distance =  2.30896410177591 Angstroms
sigma value = 41


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

Energy: -2.157335935995351
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Energy: -1.8413151759558286
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Energy: -1.5409809675316604
Energy: -2.217615940685843
Energy: -1.8243311895308656
Energy: -1.7104026142249602

minimum gb energy = -3.2044688650042823 eV
minimum distance =  2.30525210911698 Angstroms
sigma value = 33


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

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minimum gb energy = -4.894657796571958 eV
minimum distance =  2.23108610455276 Angstroms
sigma value = 67


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

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Energy: -1.6396932805837594

minimum gb energy = -2.273408580868483 eV
minimum distance =  2.37624228105435 Angstroms
sigma value = 3


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

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minimum gb energy = -7.714418705646721 eV
minimum distance =  2.25841615766965 Angstroms
sigma value = 81


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

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Energy: -2.103771661676123
Energy: -2.8785859719214906
Energy: -2.124676560784939
Energy: -2.3476503241000115
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Energy: -3.32389761472177
Energy: -2.7134146795700618
Energy: -2.1498497295889574
Energy: -2.473856998396498
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Energy: -2.6569600133707296
Energy: -2.247267146991953
Energy: -2.717193972684169
Energy: -3.076359207846687
Energy: -2.0151954115310953
Energy: -2.121808308269611
Energy: -1.949971576282683
Energy: -2.030538615680833
Energy: -2.754660385362286
Energy: -1.7720220144400889
Energy: -1.7713481643938593
Energy: -2.2791639210880015
Energy: -2.0748162283001608
Energy: -1.775030897426895
Energy: -2.8355353874683638
Energy: -1.7481250737263436
Energy: -2.1470138333295483
Energy: -2.3028002106918217
Energy: -2.1927926498181383
Energy: -2.3729884358804147
Energy: -2.532869732680733
Energy: -2.3225994775632834
Energy: -2.308319322036084
Energy: -1.9105897611644032
Energy: -2.3196363139088527
Energy: -2.326584797297397
Energy: -2.8572472137659513
Energy: -3.767939954009289
Energy: -2.5780408395176777
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Energy: -1.7600319682338537
Energy: -3.3753333858973247
Energy: -2.804276231420896
Energy: -2.448743031350393
Energy: -2.3624864676691617
Energy: -2.2180224717853725
Energy: -2.396059163357323
Energy: -2.3243912502081305
Energy: -2.801589429895669
Energy: -2.4020125775610683
Energy: -2.4654837848938946
Energy: -2.130760849485213
Energy: -2.287887494460602
Energy: -2.266845641067787
Energy: -2.74548469471983
Energy: -2.4758849802332863
Energy: -2.474973729501133
Energy: -2.6728908664882547
Energy: -1.8650239535861548
Energy: -2.1638688962562513
Energy: -2.6898077912425475
Energy: -1.7779328532181746
Energy: -1.7070118038469932
Energy: -2.1376254865251996
Energy: -1.7070975314670735
Energy: -2.1817916745131343
Energy: -2.7279823974584896
Energy: -1.8869655656083737
Energy: -1.9466218924677108
Energy: -1.8158204058031564
Energy: -1.8933847791839666
Energy: -2.0440545529619154
Energy: -2.3524165688927448
Energy: -2.2629403471376257
Energy: -1.7692637752859113
Energy: -2.169709509173471
Energy: -1.9764798464496465
Energy: -1.7732763046133566

minimum gb energy = -3.767939954009289 eV
minimum distance =  2.40002302050309 Angstroms
sigma value = 43


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

Energy: -1.568775212968013
Energy: -1.2332585707779562
Energy: -1.397779771173509
Energy: -3.420817242146106
Energy: -1.2586264825685238
Energy: -3.233243509373372
Energy: -2.15316809444142
Energy: -1.819616466310314
Energy: -1.7730205634100866
Energy: -1.684087162556135
Energy: -2.189224747810701
Energy: -2.6792578121321524
Energy: -1.8140374499133864
Energy: -3.265361942349631
Energy: -3.3794804177558677
Energy: -1.996373195802332
Energy: -2.2988111139605354
Energy: -2.027425667003357
Energy: -2.228991756276354
Energy: -2.717176746419694
Energy: -3.4190624265889977
Energy: -2.1113778892838204
Energy: -2.030401140895065
Energy: -2.230849074063465
Energy: -2.2220660849098546
Energy: -1.7276544527701838
Energy: -1.6793994418398723
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Energy: -1.8681917839943465
Energy: -1.672849643005917
Energy: -2.252369108656648
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Energy: -1.6681549403255016
Energy: -1.7422917076452626
Energy: -2.956435349895513
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Energy: -2.154189423451391
Energy: -2.828616973339394
Energy: -1.9983872751356515
Energy: -1.9323448590500776
Energy: -2.2877546307034833
Energy: -1.851752895315488
Energy: -2.0392134606610153
Energy: -2.126321444663992
Energy: -2.021104265039069
Energy: -3.2200457582251665
Energy: -1.9667416636106223
Energy: -1.9713512101478654
Energy: -2.0447635702930227
Energy: -1.863704977638929
Energy: -1.745011071387188
Energy: -2.690208191954379
Energy: -1.7694856160964334
Energy: -1.9225513351396517
Energy: -1.9494845894091744
Energy: -2.13579676872785
Energy: -3.319594512409378
Energy: -1.8756432135238954
Energy: -2.4735863399198537
Energy: -3.537280057411361
Energy: -1.9911628150574683
Energy: -1.9445566586836711
Energy: -2.0540254222857186
Energy: -2.167939229629932
Energy: -2.489042797703306
Energy: -1.9401909588008326
Energy: -1.8626400337528166
Energy: -1.9771665146562745
Energy: -1.7688272667355796
Energy: -1.8884022060139514
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Energy: -1.9086713265700084
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Energy: -1.865125626289026
Energy: -1.8851095445003323
Energy: -1.816902795035152
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Energy: -1.6810173174319032
Energy: -1.7042894761304297
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Energy: -2.756193918869547
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Energy: -3.0151160953984126
Energy: -3.2140040493177358
Energy: -3.6455185420187624
Energy: -2.094789483306621
Energy: -3.3004335373371583
Energy: -2.2423624577603407
Energy: -3.347591269370967
Energy: -3.1287093877125485
Energy: -3.8457843208706994
Energy: -3.362454715668552
Energy: -2.185221224816053
Energy: -2.2428481355343823
Energy: -2.604955344131284
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Energy: -1.94416868594012
Energy: -2.6714158590458537
Energy: -2.769679404328845
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Energy: -1.4315298757973374
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Energy: -1.6994685152302997
Energy: -2.452039937153272
Energy: -1.6141516669436524
Energy: -1.7911158622359367
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Energy: -1.7552998352902585
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Energy: -2.728890454110382
Energy: -2.91871440076457
Energy: -2.1713590152258226
Energy: -1.7152191394904706
Energy: -1.5726939152166586
Energy: -1.902193711016383
Energy: -2.324182525169969
Energy: -1.7154297343349987
Energy: -1.7632368086638237
Energy: -1.5918834464617022
Energy: -2.7871848488967608
Energy: -1.394975724241685
Energy: -2.795816370176838
Energy: -2.7881797086800253
Energy: -2.2461957957438186
Energy: -2.338448980838829
Energy: -2.4563525702602873
Energy: -2.015472480228775
Energy: -1.703737792351767
Energy: -2.3448761823317557
Energy: -2.011561870795598
Energy: -3.7309564468070744
Energy: -3.7269522523017273
Energy: -1.7960789051127775
Energy: -3.2322774112243775
Energy: -3.3735753701235622
Energy: -1.9998848033400798
Energy: -1.8450457993122755
Energy: -1.771390136094515
Energy: -1.958587233063028
Energy: -1.9284472080334243
Energy: -1.925588258920227
Energy: -2.264200033600816
Energy: -1.9339277109727353
Energy: -2.297570813020353
Energy: -2.3492308513879148
Energy: -2.9945082799469467
Energy: -1.6817015825961583
Energy: -2.231666278623732
Energy: -1.8047435689234759
Energy: -1.899616947470302
Energy: -1.7495223706624135
Energy: -1.8896097208835863
Energy: -1.6933013452213863
Energy: -2.196768232285586
Energy: -2.623403667003095
Energy: -1.7852254804477845
Energy: -1.807401337272256
Energy: -2.7007066401170237
Energy: -1.7613158955988573
Energy: -1.8280981794960318
Energy: -3.0696138600333582
Energy: -2.96296534458575
Energy: -1.5399688167535546
Energy: -3.685657112453467
Energy: -1.777528920317513
Energy: -2.01267029802633
Energy: -1.3980261127671412
Energy: -1.4686171714649792
Energy: -1.6528293624742711
Energy: -1.7280697332083441
Energy: -1.7845596675114719
Energy: -1.7298091033527507
Energy: -1.4184630616754565
Energy: -1.5699154819539043
Energy: -2.0573859223457784
Energy: -1.5773263158928161
Energy: -1.4432778349656445

minimum gb energy = -3.8457843208706994 eV
minimum distance =  2.33035405732599 Angstroms
sigma value = 57


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

Energy: -2.2428860283999192
Energy: -2.1984701841068137
Energy: -2.168891098090628
Energy: -1.6370593223327818
Energy: -2.092723813279525
Energy: -2.165707232105556
Energy: -2.9090880119825444
Energy: -2.5939542884637565
Energy: -2.563591996463144
Energy: -2.309711028934577
Energy: -2.4403693339788712
Energy: -2.2179565581739555
Energy: -2.3066106200136773
Energy: -2.2156412901222264
Energy: -2.182280865949842
Energy: -2.330010400472977
Energy: -2.026965351760918
Energy: -2.108081190006196
Energy: -3.189735786964054
Energy: -1.8318332796649706
Energy: -1.724269082743752
Energy: -2.174628630807596
Energy: -2.02511328296818
Energy: -2.105845805222405
Energy: -3.2650914293052677
Energy: -1.9699997249042986
Energy: -1.826934073722831
Energy: -2.4616161332137754
Energy: -2.1006342136607956
Energy: -2.4847909473209246
Energy: -2.911057254669307
Energy: -1.6923359579906785
Energy: -1.8985677796414364
Energy: -2.2606501669746417
Energy: -2.2620957893045226
Energy: -1.9754401400185624
Energy: -3.11275638291571
Energy: -2.262477166709516
Energy: -2.689220739478336
Energy: -2.0216550355776475
Energy: -2.0635058739207794
Energy: -2.28301974759272
Energy: -2.5685134228515945
Energy: -2.3739944021386186
Energy: -2.3971326723936133
Energy: -2.2313680440274757
Energy: -2.3835789465980635
Energy: -2.417565650661105
Energy: -3.282130142365431
Energy: -2.5297335657260724
Energy: -2.6241011302091777
Energy: -1.7834496381647733
Energy: -2.1051479580275894
Energy: -2.0854231226836135
Energy: -2.7661282882850955
Energy: -2.0420707199929993
Energy: -2.2705477701411683
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Energy: -1.8680591560457664
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Energy: -1.8992173171762747
Energy: -2.3815454872532915
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Energy: -2.7213558570620076
Energy: -2.324860201825026
Energy: -2.1417465462173575
Energy: -1.5357885671750506
Energy: -2.3701542975995826
Energy: -2.1709826812862394
Energy: -2.7477074915410444
Energy: -1.7823751563980215
Energy: -2.3442749129604716
Energy: -2.168106547639815
Energy: -2.2360112609172393
Energy: -2.3862353338942595
Energy: -2.291580083459585
Energy: -2.2012247782902388
Energy: -2.185736669856763
Energy: -2.3131886921770097
Energy: -2.8096493761634878
Energy: -2.0419741888028216
Energy: -3.264513066065432
Energy: -2.080979326516227
Energy: -2.18419329916499
Energy: -2.2289320825950023
Energy: -2.119407965897426
Energy: -2.3013293635345033
Energy: -3.215531954380347
Energy: -2.2191473377775774
Energy: -2.1982329253531225
Energy: -2.2508413636886053
Energy: -2.239241503915538
Energy: -2.245083328390464
Energy: -3.187529566628779
Energy: -2.1666609495500118
Energy: -2.2371725392447677
Energy: -2.2010326695309375
Energy: -1.9225719465194977
Energy: -2.3319415646840764
Energy: -3.248575529187125
Energy: -2.2890473648519194
Energy: -2.371170984362435
Energy: -2.4718807911695047
Energy: -2.3123248197338873
Energy: -2.366666637388493
Energy: -3.145352299125985
Energy: -2.411184021757123
Energy: -2.371786777612504
Energy: -2.0675122728807143
Energy: -2.3728079465334337
Energy: -2.3672226573631336
Energy: -2.983900590814637
Energy: -2.0059176023772483
Energy: -2.0678486082490255
Energy: -2.109178621946438
Energy: -2.137136437009905
Energy: -2.0729459222500535
Energy: -2.718294093519912
Energy: -2.111908903874865
Energy: -1.8887952184252756
Energy: -1.9466353167122572
Energy: -2.0516636918287077
Energy: -1.8623430744619478
Energy: -2.8887416885808075
Energy: -1.8256235126802522
Energy: -2.3400141426625707
Energy: -2.164409881666917
Energy: -2.0093173479596182
Energy: -2.2993828091953183
Energy: -2.737852172279052
Energy: -2.3001604386804235
Energy: -2.1419052130813214
Energy: -1.5370328660124384
Energy: -2.3100689425624346
Energy: -2.1707858391708488

minimum gb energy = -3.282130142365431 eV
minimum distance =  2.34904554232742 Angstroms
sigma value = 17


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

Energy: -3.0405162309757903
Energy: -2.0609807348607245
Energy: -2.360801056891408
Energy: -2.111743570408716
Energy: -2.045375219421292
Energy: -1.8252893417981895
Energy: -3.300256330339063
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Energy: -2.131687407176084
Energy: -2.1826758813397986
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Energy: -1.964478642463558
Energy: -2.1620949801057536
Energy: -2.224951930305833
Energy: -2.0439113695129567
Energy: -1.9781466064494053
Energy: -3.1547163684427035
Energy: -1.9148483210943146
Energy: -1.9537048708287685
Energy: -2.2825619080332524
Energy: -2.2409095502886514
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Energy: -3.4281628450118604
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Energy: -2.53063155579842
Energy: -2.273629465083324
Energy: -2.1235736737182886
Energy: -2.234271183975481
Energy: -3.1935927156592703
Energy: -2.1466044120894745
Energy: -2.3789084541589673
Energy: -2.29132997713057
Energy: -2.457009027732064
Energy: -2.3520788252856843
Energy: -3.224762556192383
Energy: -2.0207790911549277
Energy: -2.3834445773181616
Energy: -2.218817754676334
Energy: -2.150533477648168
Energy: -2.71675770111298
Energy: -3.404784920187
Energy: -2.7513058875546434
Energy: -2.1013674883285725
Energy: -3.240961849451837
Energy: -2.437040387066908
Energy: -2.242466684325047
Energy: -3.323888504996386
Energy: -2.351109369631403
Energy: -2.620200241239524
Energy: -2.028800015494463
Energy: -2.1100508362696946
Energy: -1.9410335560727028
Energy: -3.114699839351233
Energy: -2.1579950386389366
Energy: -2.2585795099841115
Energy: -2.3449011644447886
Energy: -2.0288331781439517
Energy: -2.2316323494210613
Energy: -3.2906280856027674
Energy: -2.1493401027683543
Energy: -2.007316228813368
Energy: -2.2570067642799407
Energy: -2.0801838326261395
Energy: -2.031591535083602
Energy: -2.9664856527076564
Energy: -2.189156305599319
Energy: -2.301690439994617
Energy: -2.0007438156304773
Energy: -2.1973685051099348
Energy: -2.2105856499442487
Energy: -2.9280138627191
Energy: -2.3907050316170206
Energy: -2.3441923875603567
Energy: -1.8011681294038506
Energy: -2.432908651824531
Energy: -2.2735784650303685
Energy: -3.4961589347920774
Energy: -2.2839068663777504
Energy: -2.1169101441815283
Energy: -2.020088606016895
Energy: -2.1513197190569353
Energy: -2.047220780297655
Energy: -3.51279963072583
Energy: -2.219065525298881
Energy: -2.29322666457134
Energy: -2.1520272630322057
Energy: -2.1118957720693823
Energy: -2.09541450344975
Energy: -3.111845037203161
Energy: -2.2276554498827927
Energy: -2.1354341566975004
Energy: -2.2258560921135415
Energy: -2.1871267886895605
Energy: -2.1806859840859434
Energy: -2.5343815485672456
Energy: -2.414715364099944
Energy: -2.2297319606066153
Energy: -1.969949971122974
Energy: -2.3251193816929927
Energy: -1.9537864160117215

minimum gb energy = -3.51279963072583 eV
minimum distance =  2.29382006505051 Angstroms
sigma value = 17


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

Energy: -4.099502926845602
Energy: -2.8461021517242484
Energy: -2.798458728669018
Energy: -3.387426364720157
Energy: -2.828950121002312
Energy: -2.798453007064191
Energy: -3.367379744233176
Energy: -3.1561552677572093
Energy: -3.1971376485843503
Energy: -2.9968751753699383
Energy: -2.824649395236081
Energy: -3.1361265349784198
Energy: -3.7335316997902743
Energy: -2.878544646684689
Energy: -3.089024907908117
Energy: -3.0816289216631594
Energy: -2.741227034326892
Energy: -3.149438653448654
Energy: -4.4355620788967824
Energy: -3.222004067782898
Energy: -3.042167480039013
Energy: -3.422513263829807
Energy: -3.1363289637344924
Energy: -2.83092931681698
Energy: -4.627900755858611
Energy: -3.0806572332698825
Energy: -2.9688350752140518
Energy: -3.4629086107181086
Energy: -2.9219297780057945
Energy: -2.922144159811749
Energy: -4.582787544266769
Energy: -3.1368194307381434
Energy: -2.8870553727723753
Energy: -2.9243766065869155
Energy: -3.172332126175306
Energy: -2.8356462408237966
Energy: -4.939640846200869
Energy: -3.17838682400261
Energy: -3.1713958900454933
Energy: -3.450223763406727
Energy: -2.7204267082105127
Energy: -3.0161915245703352
Energy: -4.363308584283363
Energy: -3.066214799732154
Energy: -2.9720551186486492
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minimum gb energy = -5.0153977378270245 eV
minimum distance =  2.33773177514527 Angstroms
sigma value = 57


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

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Energy: -4.5150208306255655
Energy: -3.552630626734252
Energy: -4.45018204991685
Energy: -3.768363749978338

minimum gb energy = -5.598515875302795 eV
minimum distance =  2.31337150244112 Angstroms
sigma value = 43


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

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Energy: -3.0726747595371786
Energy: -2.563615329588003
Energy: -2.4253768945927923
Energy: -2.409649411698475

minimum gb energy = -4.57538397840214 eV
minimum distance =  2.31456716454676 Angstroms
sigma value = 81


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

Energy: 0.1455850934413366
Energy: -1.1161574936568732
Energy: -1.071361787492296
Energy: 0.010236031545251661
Energy: -1.4280304530919559
Energy: 0.20197381357159996
Energy: -3.735509084351835
Energy: -1.2991057676435422
Energy: -1.57953693012828
Energy: -1.2832917460842248
Energy: -1.368179677216372
Energy: -1.7241801968872152
Energy: -2.008797767775758
Energy: -0.07010586356536204
Energy: -0.07627360236062315
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Energy: -1.1176335094698315
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Energy: -0.07637600177258487
Energy: -1.7383645046198577
Energy: -0.06994391769121427
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Energy: -1.48280837271023
Energy: -1.2860574021469464
Energy: -0.13513059686109397
Energy: -1.5010121328373958
Energy: -1.1922719888067814

minimum gb energy = -3.735509084351835 eV
minimum distance =  2.3132502509292 Angstroms
sigma value = 3


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

Energy: -1.5096701894712181
Energy: -2.965012581932432
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Energy: -1.7595469933604144
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Energy: -2.6551386522202303
Energy: -2.4520353777496
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Energy: -3.9412348658346414
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Energy: -3.6104880667038177
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Energy: -2.551537544742693
Energy: -2.9163562794226583
Energy: -2.484307162630712
Energy: -2.3741224162606076
Energy: -3.5017211103409047

minimum gb energy = -4.7572592582979745 eV
minimum distance =  2.33284320798561 Angstroms
sigma value = 67


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

Energy: -2.213999388616401
Energy: -4.266870134957728
Energy: -2.9588198591613115
Energy: -1.5767755238184138
Energy: -4.5055155258535535
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Energy: -4.88345608597456
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Energy: -6.390935055464094
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Energy: -4.983823959535205
Energy: -6.599359398877333
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Energy: -4.2912857735531365
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Energy: -3.8945933683970093
Energy: -5.149064661312723
Energy: -4.4588335529258405
Energy: -4.682965317211932
Energy: -5.00854347442446

minimum gb energy = -7.00254297169343 eV
minimum distance =  2.27728961724839 Angstroms
sigma value = 33


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

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Energy: -3.1351293958989617
Energy: -3.44504946772496
Energy: -2.4601644771041875
Energy: -3.9423178678030264
Energy: -3.3078762322702966
Energy: -2.3696830036276086
Energy: -2.9464268808034917
Energy: -3.851470815156879
Energy: -2.983441611455203
Energy: -2.526121424066472
Energy: -2.851499827634009
Energy: -3.2241639019701944
Energy: -3.1145785422586982
Energy: -2.2961449073760876
Energy: -2.823908914180034
Energy: -3.3323217214960748
Energy: -2.6286445665279787
Energy: -4.622008254860015
Energy: -3.0223911605462015
Energy: -2.7587036483472906
Energy: -2.75414951442512
Energy: -3.0246666390457713
Energy: -2.741209641214879
Energy: -2.6523120140781464
Energy: -3.6993654091620174
Energy: -1.4492814498617854
Energy: -2.1390970589098535
Energy: -2.7298871883233558
Energy: -4.344150230993244
Energy: -2.34516619801518
Energy: -4.13123041893184

minimum gb energy = -5.940402302825487 eV
minimum distance =  2.25834695244272 Angstroms
sigma value = 41


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

Energy: -2.208625429617888
Energy: -2.1383612757555195
Energy: -1.4683695614933527
Energy: -2.635214647882074
Energy: -1.9163793189446412
Energy: -1.4445410623779864
Energy: -2.573719681280226
Energy: -2.7991091840535045
Energy: -3.171567050903146
Energy: -2.5177347551076883
Energy: -2.0889144918650704
Energy: -2.425673761552019
Energy: -2.2179474692912806
Energy: -2.582827323750957
Energy: -2.470093056770027
Energy: -2.3534136868573134
Energy: -2.1038016871668406
Energy: -2.808529953955959
Energy: -2.9548045957119236
Energy: -2.6279762052078115
Energy: -1.995824749771622
Energy: -2.593640924170607
Energy: -2.54352382901159
Energy: -2.4955006562891118
Energy: -2.6498623849809135
Energy: -2.4159262401940627
Energy: -2.5252019523013267
Energy: -2.8199705519554787
Energy: -2.1331872484641474
Energy: -2.308246927359977
Energy: -3.515034745791283
Energy: -1.820729053931555
Energy: -1.8143399181338156
Energy: -2.844226932823829
Energy: -1.7008445167694266
Energy: -2.156313849927057
Energy: -1.3809591552510767
Energy: -2.995963859533348
Energy: -2.240950995088278
Energy: -1.5941825226075506
Energy: -2.2882811509873378
Energy: -2.459667596348967
Energy: -1.9851443105471178
Energy: -2.41627017263255
Energy: -2.6664329092441483
Energy: -2.39096829993784
Energy: -2.8991236044913173
Energy: -2.6751778371422104
Energy: -2.0503510051068847
Energy: -2.741750823148314
Energy: -2.797924999656548
Energy: -2.80764617736125
Energy: -2.8878232751665016
Energy: -2.964919222444816
Energy: -2.8076851173822552
Energy: -1.9561249985913285
Energy: -2.4645208823270206
Energy: -2.70304529944413
Energy: -1.7102508235538068
Energy: -2.7080714612560937
Energy: -2.9231067276543277
Energy: -2.740970365623658
Energy: -2.465422791207135
Energy: -2.635868020594585
Energy: -2.4685585680724804
Energy: -2.604242876847957
Energy: -2.8346947275323604
Energy: -3.12817440560791
Energy: -1.39752141698897
Energy: -2.1415902215479026
Energy: -3.146096458846048
Energy: -1.9329875980521949
Energy: -2.4726478186336713
Energy: -2.5980101637241195
Energy: -2.560508926927605
Energy: -2.392160523523163
Energy: -2.058557132747553
Energy: -2.6085233283190865
Energy: -3.6792539922995102
Energy: -2.0752333538336116
Energy: -1.5145095828159245
Energy: -2.949777429315214
Energy: -1.8832370032893218
Energy: -1.6297510779821935

minimum gb energy = -3.6792539922995102 eV
minimum distance =  2.34527948571696 Angstroms
sigma value = 11


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

Energy: -1.9147469709325313
Energy: -1.8656864838576195
Energy: -1.1570867319269174
Energy: -0.6782627779940169
Energy: -1.9543696889142084
Energy: -1.6176154196847237
Energy: -1.2301331649780824
Energy: -2.1968056703374015
Energy: -2.9552718421013675
Energy: -1.9354497569058242
Energy: -1.7703781646509305
Energy: -1.7047343828400605
Energy: -1.7933758437973384
Energy: -1.6008232642346634
Energy: -2.0332057024026082
Energy: -2.1225151020746056
Energy: -1.8988019946059744
Energy: -1.9717421641049913
Energy: -2.3025464233300896
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Energy: -1.8527618358323454
Energy: -2.173062179985608
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Energy: -1.6309143866139442
Energy: -2.20072343781871
Energy: -1.796022433335817
Energy: -3.228237113235851
Energy: -3.1872101346101758
Energy: -2.1317975449052535
Energy: -2.323432551186706
Energy: -1.7184939092332356
Energy: -1.7884792053301029
Energy: -2.028317318315235
Energy: -2.512555101515129
Energy: -1.6426772235787308
Energy: -2.4413311554229855
Energy: -1.9346146514246523
Energy: -2.1309881057972446
Energy: -2.3512377017481123
Energy: -3.324213455669752
Energy: -2.255222041211416
Energy: -2.363051907923017
Energy: -2.1804547200134925
Energy: -1.7781542032508666
Energy: -2.916733193021398
Energy: -2.700905693072449
Energy: -2.941016079937612
Energy: -2.6589138373190324
Energy: -2.3445974493986315
Energy: -3.031717189069783
Energy: -2.898102262518678
Energy: -1.544304123530696
Energy: -3.058007588986476
Energy: -2.7689875302206306
Energy: -1.9172961992355377
Energy: -1.879610601005939
Energy: -1.8091806679857085
Energy: -1.7602558061728804
Energy: -2.1779126241630444
Energy: -1.9231062675598554
Energy: -2.3784640725344826
Energy: -2.044705974542699
Energy: -2.0660795441085162
Energy: -1.7234737177138495
Energy: -1.8744147781504221
Energy: -1.8807962472276234
Energy: -2.6164249803258186
Energy: -1.5059721092176281
Energy: -1.6119696308159996
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Energy: -2.00511619775946
Energy: -1.9372873142448477
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Energy: -2.524882055701896
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Energy: -1.1772558214800652
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Energy: -1.9593029586841215
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Energy: -1.3095493389015864
Energy: -2.7365815837998686
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Energy: -2.629710863293592
Energy: -1.6606768762320847
Energy: -1.9959367527627356
Energy: -2.3169464818980603
Energy: -1.9125381861211543
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Energy: -1.5040765515844527
Energy: -2.002727851133954
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Energy: -1.6838867101255761
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Energy: -1.7570078878396311
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Energy: -2.365359408807828
Energy: -1.6796701389443551
Energy: -1.6941856092130956
Energy: -2.3007715335717984
Energy: -2.5753347073768693
Energy: -2.357903708514697
Energy: -1.888948460137785
Energy: -2.0032328926504004
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Energy: -2.5532613648715645
Energy: -1.7005757041789569
Energy: -2.4589798641708
Energy: -1.6167640344749787
Energy: -1.570154289465764
Energy: -1.6044511903497891
Energy: -2.3553845712021757
Energy: -2.176622200602371
Energy: -1.5675947394284193
Energy: -1.8422464698688643
Energy: -1.680270326756865
Energy: -2.067515919361896
Energy: -2.350162066959549
Energy: -2.142002436116697
Energy: -2.186250361600339
Energy: -1.8306283404464767
Energy: -2.1120811170346756
Energy: -1.7799625918102089
Energy: -1.9155721717457672
Energy: -2.1642436899217747
Energy: -1.93744390186133
Energy: -2.117737115248488
Energy: -2.388044686593563
Energy: -2.7068597551080678
Energy: -2.3949088761464963
Energy: -2.2172398972761727
Energy: -1.9789386631468597
Energy: -2.6361074739884582
Energy: -1.7290581641581504
Energy: -2.0974972150809403
Energy: -1.757004294856345
Energy: -2.1518878742869854
Energy: -2.2321095372952184
Energy: -3.227101403142767
Energy: -1.6167712068867042
Energy: -1.669434030153101
Energy: -1.9482565667612968
Energy: -2.192842718215751
Energy: -1.9350731106082883
Energy: -2.8240126678857584
Energy: -1.6284109122294534
Energy: -1.7338621027968142
Energy: -1.6549377053183163
Energy: -2.0843374006825326
Energy: -1.8376090555115903
Energy: -1.7046356773908744
Energy: -1.583391972555991
Energy: -1.705955035047492
Energy: -2.589118876963656
Energy: -1.40280290496261
Energy: -1.7743795201746195
Energy: -1.3542887849286955
Energy: -2.0912229714884396
Energy: -2.503334695103218
Energy: -1.8063415677720733
Energy: -1.7096149634135713
Energy: -1.972296266927531
Energy: -3.2361065357527474
Energy: -1.8257567140588067
Energy: -2.0626479156106377
Energy: -2.861538945660603
Energy: -2.625609365972905
Energy: -1.7392462090251013
Energy: -1.7585849868762915
Energy: -1.6867807047517045
Energy: -2.1310281258419437
Energy: -1.9405720141991922

minimum gb energy = -3.324213455669752 eV
minimum distance =  2.26552352035068 Angstroms
sigma value = 57


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

Energy: -0.3092909410996777
Energy: -1.6118418985676584
Energy: -1.280019901131348
Energy: -1.0355348510237026
Energy: -1.5659658293933851
Energy: -0.8018260618471504
Energy: -2.00048439912425
Energy: -1.4963152151282848
Energy: -1.533396363577847
Energy: -1.6813258420921904
Energy: -1.4839491711251078
Energy: -1.4508079256045772
Energy: -1.930924162243817
Energy: -1.3055274178439593
Energy: -4.385759785767994
Energy: -1.4596786197908556
Energy: -1.2242161832792469
Energy: -1.3914152753194229
Energy: -2.0076041079272473
Energy: -1.976920165276677
Energy: -1.7983062441763966
Energy: -1.751902529385555
Energy: -1.231465542558457
Energy: -2.062107540036243
Energy: -2.0632868507327045
Energy: -1.5661181794968533
Energy: -1.62516034579148
Energy: -1.7833230876770714
Energy: -1.5848037337090792
Energy: -1.4624847688943379
Energy: -2.025181557562761
Energy: -1.679809781136389
Energy: -1.7372945836015659
Energy: -1.7202355148909902
Energy: -1.020527568679739
Energy: -3.883050557342725
Energy: -0.9740136584823126
Energy: -1.4360451545055901
Energy: -1.495079900729527
Energy: -1.3059173079972415
Energy: -1.4307839405589298
Energy: -1.7470843823341669
Energy: 0.6244401705305577
Energy: -1.768777113162319
Energy: -1.7571284520521946
Energy: -1.482405192040011
Energy: -1.6734745123321708
Energy: -1.795870487442713
Energy: -2.012318300162631
Energy: -1.2946752066296332
Energy: -1.1656510288749335
Energy: -1.4424397930613484
Energy: -1.4473481319409713
Energy: -1.544581697816081
Energy: -1.9829518943742275
Energy: -1.3439637599880836
Energy: -1.5428366904144368
Energy: -1.494458902547144
Energy: -1.7331933686146268
Energy: -1.4734860466782238
Energy: -1.9954356145593184
Energy: -1.9620743821831614
Energy: -1.8128488940853453
Energy: -1.8344113971291727
Energy: -1.6591302433315427
Energy: -1.8258036830744937
Energy: -1.4376247660311283
Energy: -1.2350188269142564
Energy: -0.9657839067786025
Energy: -1.4148744666744864
Energy: -1.2919764782423484
Energy: -2.9690958653949284
Energy: -2.0252947592464667
Energy: -1.479289058282335
Energy: -1.6825990689604695
Energy: -1.7155527205643106
Energy: -1.4803029506090168
Energy: -2.015390850435177
Energy: -2.0217214771874237
Energy: -1.7683167262341395
Energy: -1.6673415748384393
Energy: -3.9942841406897407
Energy: -3.4091053084527845
Energy: -1.385281380905575
Energy: -2.195334040511797
Energy: -1.6042583237996606
Energy: -1.7416356730614215
Energy: -1.7515188494454241
Energy: -1.5701973284314066
Energy: -1.7686142502790732
Energy: 0.731262597089205
Energy: -1.5310505533643652
Energy: -1.0306986761704173
Energy: -0.8576974375028236
Energy: -1.5484215736616718
Energy: -1.5117494543931673
Energy: -1.7782758563249288
Energy: -1.5449940141171903
Energy: -1.6002040103191686
Energy: -1.413051835816427
Energy: -1.5119958772244813
Energy: -1.4159538470874442

minimum gb energy = -4.385759785767994 eV
minimum distance =  2.27498547975698 Angstroms
sigma value = 9


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

Energy: -2.2176004443388506
Energy: -2.5756249760368926
Energy: -2.167476458923883
Energy: -2.4870232965687946
Energy: -2.3133978521603993
Energy: -2.03570720873349
Energy: -2.551612596600754
Energy: -2.352002054931238
Energy: -2.201867571288956
Energy: -2.608945741766969
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Energy: -2.2383028770802094
Energy: -2.4173990260244564
Energy: -3.368969079638551
Energy: -2.4430584035441583
Energy: -2.6044997604267306
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Energy: -2.079025245473627
Energy: -2.3184358622241086
Energy: -2.47799041759608
Energy: -3.7436799621871386
Energy: -2.375632071384746
Energy: -3.0738621841382954
Energy: -2.854365774830372
Energy: -2.4932056335535373
Energy: -2.326667639870498
Energy: -2.941425330779938
Energy: -2.5786485546504654
Energy: -2.776061170751205
Energy: -2.538205005087134
Energy: -2.4290823641906045
Energy: -3.3713231699970962
Energy: -2.6763774203706334
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Energy: -2.872970510223586
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Energy: -2.235192165736049
Energy: -2.4713678341651732
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Energy: -2.5587184419818776
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Energy: -2.725973704488084
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Energy: -2.499498575659827
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Energy: -2.559303645278117
Energy: -2.564460588127642
Energy: -2.6958173131480963
Energy: -2.7749776757074365
Energy: -2.4882289098236283
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Energy: -2.4988663950661176
Energy: -4.922122415541723
Energy: -3.4462155999498267
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Energy: -2.86497535625619
Energy: -2.601259557979839
Energy: -3.7423700647946516
Energy: -2.9069543441282804
Energy: -3.414914555847627
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Energy: -2.694675656170857
Energy: -2.252956204237029
Energy: -2.8079409116055163
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Energy: -2.577288699052819
Energy: -2.7398216974194862
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Energy: -2.5220403118591057
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Energy: -3.01796154866007
Energy: -3.204080204007143
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Energy: -2.172579365810942
Energy: -1.9796478825279118
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Energy: -2.6318506562348536
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Energy: -2.946303529116045
Energy: -2.54460271769162
Energy: -2.6008080909920013
Energy: -3.1120471493507793
Energy: -3.722827833893175
Energy: -2.5170411108247377
Energy: -2.0058513130246256
Energy: -2.17396103680521
Energy: -2.559607657583253
Energy: -2.4027173286503336
Energy: -2.6483701438533775
Energy: -2.9901463066047387
Energy: -2.420779567612035
Energy: -2.3260740173803884
Energy: -3.1977966513425975
Energy: -2.3800772600809093
Energy: -4.312353509365781
Energy: -2.2222762192289305
Energy: -4.25285729584817
Energy: -2.6098604021193523
Energy: -2.296775485365928
Energy: -3.0794168987657327
Energy: -2.7966432372871606
Energy: -2.512796064657237
Energy: -3.289827811744452
Energy: -2.4473709527020118
Energy: -2.452140806355383
Energy: -2.606809874880199
Energy: -2.499135418220701
Energy: -2.6398008523467427
Energy: -2.565885349766275
Energy: -2.552333759788474
Energy: -2.6530855338798296
Energy: -2.655533364751823

minimum gb energy = -4.922122415541723 eV
minimum distance =  2.29870682297759 Angstroms
sigma value = 27


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

Energy: -1.1846678153181236
Energy: -3.444274966550111
Energy: -3.778277040475087
Energy: -2.873476026613575
Energy: -2.5929314518259643
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Energy: -2.2268980914444025
Energy: -1.829186832986723
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Energy: -2.499293640665931
Energy: -2.659936699799067
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Energy: -2.20482693072384
Energy: -3.320727517144906
Energy: -2.81477185913449
Energy: -2.5183389618820784
Energy: -2.8057231431647165
Energy: -1.4251569417322
Energy: -2.6506198987476393
Energy: -3.3435419989329827
Energy: -1.8635907546081023
Energy: -2.053247994484601
Energy: -2.945464248404221
Energy: -1.993925120426335
Energy: -2.834414705237561
Energy: -3.556708746911845
Energy: -3.353638972416877
Energy: -2.0727630869495934
Energy: -3.3046827554082596
Energy: -2.2646676752538077
Energy: -3.353773687301709
Energy: -3.0744543329976404
Energy: -2.353659090040962
Energy: -2.9322229616584377
Energy: -2.1301948728165434
Energy: -2.1656640410921546
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Energy: -3.0729148262750408
Energy: -2.886878295690502
Energy: -3.458647929456081
Energy: -2.490627642354347

minimum gb energy = -4.3762517792089985 eV
minimum distance =  2.24368687542396 Angstroms
sigma value = 19


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

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Energy: -1.7882295380886086
Energy: -1.581936268431644
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Energy: -2.0089422131304095
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Energy: -1.808759789992632
Energy: -1.7751558684821926
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Energy: -1.5176829746746725
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Energy: -1.9162849689891739
Energy: -1.54690650722103
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Energy: -1.9101694063643158
Energy: -1.167918789388873
Energy: -1.6646814520555286
Energy: -1.1999425613714338

minimum gb energy = -3.5214522219826896 eV
minimum distance =  2.28698970357344 Angstroms
sigma value = 101


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

Energy: -2.0062914714760445
Energy: -1.5055488646323334
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Energy: -1.922487459370925
Energy: -1.5415463584973397
Energy: -1.5657973316300384
Energy: -1.603533628746746
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Energy: -2.260782387935884
Energy: -3.0925793824419516
Energy: -1.6547332765452425
Energy: -1.7442794055670925
Energy: -1.7194752436744176
Energy: -1.7851782018759073
Energy: -1.6958356157999024
Energy: -1.5527199723122769
Energy: -1.5457624960097274
Energy: -1.5679539920110657
Energy: -1.631460501646865
Energy: -1.427660225608166
Energy: -1.939451206497116
Energy: -3.373589558905892
Energy: -4.260335531307561
Energy: -1.424407841663598
Energy: -1.3771453730804672
Energy: -1.8341025843296868

minimum gb energy = -4.260335531307561 eV
minimum distance =  2.31767130381137 Angstroms
sigma value = 33


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

Energy: 0.01705156851433748
Energy: -3.0046442148286383
Energy: -1.8638305008243743
Energy: 0.018190752992676633
Energy: -3.5474337965961795
Energy: -1.8515463624860866
Energy: 0.2522662380462675
Energy: -2.7502320573246086
Energy: -3.2400014734197002
Energy: -1.4459141418459345
Energy: -2.537030875512548
Energy: -2.150917765976438
Energy: 1.246906936620123
Energy: -3.1783916425068233
Energy: -3.241112812845485
Energy: -2.8845885106984963
Energy: -2.235474610482874
Energy: -3.242484029091195
Energy: 0.017697066014238205
Energy: -3.9801947002169142
Energy: -3.07893504951135
Energy: -1.4459145008381715
Energy: -4.089420966301318
Energy: -2.1509677480586524

minimum gb energy = -4.089420966301318 eV
minimum distance =  2.41178918350608 Angstroms
sigma value = 1