Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_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=3.658099144697189
cohesive_energy=3.753663665727904
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.141421623913241 eV

========================================
theta = 0.0
========================================

Energy: 0.014158386946909655
Energy: 1.0850164472019739
Energy: 0.014158386946909655
Energy: 1.0850164471992856
Energy: 0.014158386946909655
Energy: 1.0850164472001704
Energy: 1.0850164472007828
Energy: 0.01453480891263542
Energy: 1.0850164472016677
Energy: 0.014534808921006582
Energy: 1.0850164472007828
Energy: 0.014534808921006582
Energy: 0.014158386946909655
Energy: 1.0850164472007828
Energy: 0.014158386946909655
Energy: 1.0850164471992856
Energy: 0.014158386947215915
Energy: 1.0850164471998642
Energy: 1.0850164472004766
Energy: 0.014534808925804684
Energy: 1.0850164471989794
Energy: 0.014534808923694879
Energy: 1.0850164471992856
Energy: 0.014534808926995704
Energy: 0.014158386946909655
Energy: 1.0850164472004766
Energy: 0.014158386947215915
Energy: 1.0850164471992856
Energy: 0.014158386947215915
Energy: 1.0850164472001704
Energy: 1.0850164472004766
Energy: 0.014534808926995704
Energy: 1.0850164472004766
Energy: 0.014534808921312842
Energy: 1.0850164472001704
Energy: 0.014534808923116387

minimum gb energy = 0.014158386946909655 eV
minimum distance =  2.58265083736946 Angstroms
sigma value = 1


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

Energy: -3.6377729935363132
Energy: -3.072975169369599
Energy: -2.564758608922387
Energy: -3.0553582294406993
Energy: -2.6425255907845764
Energy: -3.053175156299335
Energy: -2.5543583087546655
Energy: -2.8332232776721455
Energy: -3.5700428332789818
Energy: -3.3617548235716086
Energy: -2.131189663318951
Energy: -3.074309773005867
Energy: 0.6088726784278351
Energy: 0.6284597910500866
Energy: 0.6088616532829543
Energy: 0.6284597858742017
Energy: 0.6087941574457456
Energy: 0.6284597813306085
Energy: -2.553970235038244
Energy: 0.5036218442538186
Energy: -2.6965933625653618
Energy: 0.5036214503752465
Energy: -2.5238339185711802
Energy: 0.5036210505787877
Energy: 0.5756182517593933
Energy: -2.5184598250984913
Energy: 0.5756182519391722
Energy: -2.9200034763428966
Energy: 0.575618249380718
Energy: -2.8247884677555555
Energy: 0.6416088637134378
Energy: -3.6211058286456894
Energy: 0.6416088965503827
Energy: -2.582852123072142
Energy: 0.6416083252687758
Energy: -2.0485210888752206
Energy: 0.5883949151125178
Energy: 0.669807645579995
Energy: 0.5883949151007224
Energy: 0.6698071374315503
Energy: 0.5883949150248232
Energy: 0.6698067176677568
Energy: 0.531850776886592
Energy: 0.7874807572752532
Energy: 0.5318507768681954
Energy: 0.7874807570173636
Energy: 0.531850776874093
Energy: 0.787480756623124
Energy: -2.579633929551153
Energy: -2.665032257601748
Energy: -2.433629101203155
Energy: -2.6329417958556283
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Energy: -2.717051749634829
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Energy: -2.687682919931862
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Energy: -4.725802804768414
Energy: -2.3889640044414313
Energy: -4.8818155353984585
Energy: -2.5540375730340186
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Energy: -2.5687642732556126
Energy: 0.3841486940601956
Energy: -3.016143710724344
Energy: 0.38414869406167
Energy: -2.8732487443642043
Energy: 0.3841486940587212
Energy: -3.2768731217734026
Energy: -2.335915314976171
Energy: 0.3415070460648807
Energy: -3.315294731067273
Energy: 0.3415070460685667
Energy: -3.0462338975300742
Energy: 0.34150704606340626
Energy: 0.5669812398191605
Energy: 0.5837865780368529
Energy: 0.5669811728166171
Energy: 0.5837721591481733
Energy: 0.5669810148665118
Energy: -4.1825996832575685
Energy: -3.0496869252192718
Energy: -2.409479526341803
Energy: -3.9161495220732823
Energy: -2.337094956727482
Energy: -3.7987667379816017
Energy: -2.259342617569541
Energy: 0.8033170127586331
Energy: -2.862837737568138
Energy: 0.8033068831783184
Energy: -2.827410908199078
Energy: 0.8029837183171231
Energy: -3.3247315656318097
Energy: 0.6256745448359743
Energy: -2.4967728374980855
Energy: 0.6256745416099095
Energy: -2.6799842660436983
Energy: 0.625674530067378
Energy: -3.0063903444540285
Energy: 0.6286697296307233
Energy: 0.5383792364336614
Energy: 0.6286697296358837
Energy: 0.5383792362855492
Energy: 0.6286697294634437
Energy: 0.5383792361602904
Energy: -2.5083738283089385
Energy: 0.5236675284052246
Energy: -2.695865533109117
Energy: 0.5236630559704606
Energy: -2.6860289154971775
Energy: 0.5236565347134783
Energy: -2.3956650636696324
Energy: 0.5436781569456213
Energy: -4.567091493673176
Energy: 0.5436781569500445
Energy: -4.482879266742558
Energy: 0.5436781568652989
Energy: 0.46384834351600895
Energy: -2.5180438958043267
Energy: 0.46384834351600895
Energy: -2.586230848491608
Energy: 0.46384834351600895
Energy: -2.611938713502819
Energy: -2.5677258515034045
Energy: -2.5685634819066565
Energy: -2.5068723448761796
Energy: -2.599532661955966
Energy: -2.7421493431006416
Energy: -2.577342962708967
Energy: -2.662284017489104
Energy: 0.759083855102268
Energy: -2.553143932909728
Energy: 0.7590765531872734
Energy: -2.586848763101757
Energy: -2.7235963740165747

minimum gb energy = -4.8818155353984585 eV
minimum distance =  2.31413532642566 Angstroms
sigma value = 33


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

Energy: 0.8194820767435103
Energy: -2.1782709010142307
Energy: 0.7035650471705391
Energy: -1.8957257963556282
Energy: 0.8194820759480175
Energy: -1.952113669329508
Energy: 0.7969553576237576
Energy: -2.6050633545082285
Energy: 0.7969553068466647
Energy: -2.5730555324175364
Energy: 0.7969551200107882
Energy: -2.250254786966621
Energy: 0.5282205541421566
Energy: 0.6381506867312843
Energy: 0.5282205541421566
Energy: 0.6381496363308453
Energy: 0.5282205541421566
Energy: 0.6381485744452399
Energy: -2.176798287637872
Energy: 0.8481345404970436
Energy: -2.682706375804534
Energy: 0.8481345405016563
Energy: -2.629387138792635
Energy: 0.8481345404983016
Energy: -2.129773210776057
Energy: 0.6958566125135873
Energy: -3.5615465177336763
Energy: 0.6958566125152644
Energy: -2.119031728757574
Energy: 0.6958566125152644
Energy: 0.5850414585691411
Energy: -2.9253882786598595
Energy: 0.5850414559415522
Energy: -3.087138228421154
Energy: 0.5850414492521389
Energy: -3.0964220596380527
Energy: 0.8661920232549214
Energy: -3.6524091909543355
Energy: 0.8661735139382283
Energy: -1.9513175537681853
Energy: 0.8661010397971947
Energy: -1.8144471210884534
Energy: 0.38659077586589
Energy: -2.0963629166534736
Energy: 0.38659077587008317
Energy: -2.471213129415352
Energy: 0.38659077586672863
Energy: -2.0053837992271735
Energy: 0.48199613899017757
Energy: 0.5265430601683969
Energy: 0.48199613898808097
Energy: 0.5265430601679777
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Energy: -2.7858354283640434
Energy: 0.5295672580433347
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Energy: 0.5295672580466892
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Energy: 0.8723459625281665
Energy: -2.328220300826572
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Energy: 0.8723401327361187
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Energy: -2.1799835197304858
Energy: -2.4175557792534916
Energy: -2.140240096197647
Energy: -3.3156184211844533
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Energy: 0.37731338432167955
Energy: -2.56239471715886
Energy: 0.37731338431832495
Energy: -2.0871802044007306
Energy: 0.3773133843187443
Energy: -2.022967876121243
Energy: 0.6110414831411234
Energy: 0.5261750404244411
Energy: 0.6110173747560359
Energy: 0.5261750404244411
Energy: -2.044143610494653
Energy: 0.5261750404236025
Energy: 0.45568511360722663
Energy: 1.090603716051849
Energy: 0.45567756418106165
Energy: 1.0906037158980337
Energy: 0.4556851136068072
Energy: 1.0906037156666821
Energy: -3.7684947564714246
Energy: -2.1170260817036106
Energy: -4.4601168745267525
Energy: -1.90007767652699
Energy: -3.5637472614036567
Energy: -1.8284787265180424
Energy: 0.5292220636839058
Energy: -2.3700855467489466
Energy: 0.5294045679988133
Energy: -2.629577039038847
Energy: 0.5292220636851637
Energy: -2.4813377027211625
Energy: -2.717595645495015
Energy: 0.828893733778607
Energy: -1.9389840918150574
Energy: 0.8288937158760151
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Energy: -1.7939485543806961
Energy: -1.902762335747827
Energy: -1.8590000466357428
Energy: -1.9541483449898496
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Energy: 0.6057040246187985
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Energy: 0.5279680027000045
Energy: 0.6057040245995096
Energy: 0.8748142658164689
Energy: -2.7979437522023116
Energy: 0.8748142658093405
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Energy: 0.8748142657988957
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Energy: 0.4557239223939822
Energy: 0.986418048133935
Energy: 0.45572392239440146
Energy: 0.9864180481289031
Energy: 0.4557239223935629
Energy: 0.986418048133935
Energy: -1.9619308539252627
Energy: -2.3376296867765634
Energy: -2.4385986036539755
Energy: -1.925451539120104
Energy: -1.9672845546647975
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Energy: -1.8646045274938883
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Energy: -2.2461988470493615
Energy: -2.024694101329865
Energy: -2.6291799206668056
Energy: -2.110636147168934
Energy: 0.7468117250478041
Energy: -2.589739277102481
Energy: 0.7468117168578644
Energy: -2.129662675484079
Energy: 0.7468117051170257
Energy: 0.6352641725049057
Energy: 0.5311655731658366
Energy: -3.1902454448604636
Energy: 0.5311655731691912
Energy: -3.0670076475523476
Energy: 0.5311655731691912
Energy: -3.3898503122684907
Energy: -2.397315018865719
Energy: -2.548016997936049
Energy: -2.2084838874279376
Energy: -1.9397984484820667
Energy: -2.5342617731595833
Energy: 0.5390102225082068
Energy: -2.7294589661898527
Energy: 0.5391190465640673
Energy: -2.4441660951342548
Energy: 0.5390102225082068
Energy: -2.087980216822153
Energy: 0.653542081273263
Energy: -2.00646193120054
Energy: 0.6483209249221447
Energy: -1.9765582876587153
Energy: 0.6535420812736824
Energy: -1.9679332679530754
Energy: 0.6926414787806252
Energy: -1.8354190631485523
Energy: -1.9832913781770516
Energy: -2.020207157375858
Energy: -1.978854236493891
Energy: -2.056752776114639
Energy: -2.1026354731619152
Energy: 0.3775079646459838
Energy: -1.975439601973804
Energy: 0.3775079646459838
Energy: -2.1217133705286884
Energy: 0.3775079646459838
Energy: 0.5253288714349198
Energy: 0.4775730837102605
Energy: 0.5253288714357585
Energy: 0.47757308370900253
Energy: 0.5253288714349198
Energy: 0.4775730837106798

minimum gb energy = -4.4601168745267525 eV
minimum distance =  2.34531390170583 Angstroms
sigma value = 51


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

Energy: 0.7092050765816654
Energy: 0.6576295512011483
Energy: 0.7092050765787508
Energy: 0.6576292997865217
Energy: 0.7092050765787508
Energy: 0.6576289603038112
Energy: -1.8137774887363771
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Energy: -1.8091742952739236
Energy: 0.48760919449323203
Energy: -1.8114401615613933
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Energy: -1.8479681887801152
Energy: 0.7649993059082679
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Energy: -1.7106640048063189
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Energy: -1.7051155922457624
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Energy: 0.7140002600812672
Energy: 0.731997057283342
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Energy: -1.7583810723037958
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Energy: -1.8276447619903868
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Energy: -1.4780134584031188
Energy: 0.48574396807266534
Energy: -1.5903888351580406
Energy: -1.581372008864934
Energy: -1.699596132129724
Energy: -1.606875364251767
Energy: -1.5591191602907013
Energy: -1.5773727512782478
Energy: 0.595561257627438
Energy: 0.6470653968866208
Energy: 0.5955612576332232
Energy: 0.6470653746136921
Energy: 0.5955612576332232
Energy: 0.6470653577422177
Energy: -1.6103190065016224
Energy: -1.6422303442333537
Energy: -1.9472088141923125
Energy: -1.6639177372647884
Energy: -1.7510679242429692
Energy: -1.6423078263532074
Energy: 0.6382802212321116
Energy: -1.7852358728769377
Energy: -1.5903073623132817
Energy: -1.8085048071475436
Energy: -1.4288253389555412
Energy: -1.7914049716675147
Energy: -1.51625132509131
Energy: 0.629542587560461
Energy: -1.5161048258897678
Energy: 0.6295419216207989
Energy: -1.525917092010471
Energy: 0.6295405388327563

minimum gb energy = -1.9472088141923125 eV
minimum distance =  2.346960026879 Angstroms
sigma value = 19


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

Energy: 0.5150192316605535
Energy: 0.24091553417696726
Energy: 0.5150192316599772
Energy: 0.24091553419250125
Energy: 0.5150192316599772
Energy: 0.24091553417350944
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Energy: 0.24065460756595541
Energy: 0.7401492039763647
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Energy: 0.24558278895824542
Energy: 0.5351312900677174
Energy: 0.24558278896227953
Energy: 0.5351312900682936
Energy: 0.24558278896458477
Energy: 0.3969226707929239
Energy: 0.5124864526236167
Energy: 0.3969226707917713
Energy: 0.5124864526236167
Energy: 0.396922670791195
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Energy: 0.39762915220325307
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Energy: 0.3976291522021005
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Energy: 0.3976291521997953
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Energy: 0.5351318826152145
Energy: 0.24438921166841948
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Energy: 0.5351318826077225
Energy: 0.2443892116718773
Energy: 0.23468445332690036
Energy: 0.7389626306542189
Energy: 0.23468445332228996
Energy: 0.7386777180949493
Energy: 0.23468445332286625
Energy: -1.3857174735990638
Energy: 0.84873945154039
Energy: 0.7401382355207573
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Energy: 0.5150192316594009
Energy: 0.24091553419826428
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Energy: 0.39762915220325307
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Energy: 0.39762915219921896
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Energy: 0.24438921167302993
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Energy: 0.24438921167591143
Energy: 0.2346844533136454
Energy: 0.7389609924671442
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Energy: -1.513634537803412
Energy: 0.23468445332056107
Energy: -1.5478466481635496
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Energy: 0.7401382355645302
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Energy: 0.7401382353404528
Energy: 0.8487394510703358
Energy: 0.7401382351503513
Energy: 0.5150192316588247
Energy: 0.24091553417696726
Energy: 0.5150192316588247
Energy: 0.24091553418964592
Energy: 0.515019231657672
Energy: 0.24091553419192493
Energy: 0.8485479662645242
Energy: 0.7402495607668993
Energy: 0.8485479662190224
Energy: 0.7402495606534197
Energy: 0.8485479660358365
Energy: 0.7402495604224268
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Energy: 0.7401492691221976
Energy: 0.24065460756595541
Energy: 0.74014920798047
Energy: 0.24065460759013393
Energy: 0.7401491138352748

minimum gb energy = -1.5478466481635496 eV
minimum distance =  2.34020283125164 Angstroms
sigma value = 27


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

Energy: 0.4326142263975822
Energy: 0.24885673197502067
Energy: 0.4326142263975822
Energy: 0.24885673197219735
Energy: 0.4326142263975822
Energy: 0.24885673197643232
Energy: -1.7714480178543492
Energy: 0.03336829116567305
Energy: -1.8078589979721569
Energy: 0.03276642678648446
Energy: -1.7479110594858427
Energy: 0.03307336881751705
Energy: 0.16478462495155974
Energy: 0.5848001234213664
Energy: 0.1647846249501481
Energy: 0.5848001234185433
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Energy: 0.5848001234199549
Energy: -0.6263570659111278
Energy: 0.24443423683389462
Energy: -0.606180421077029
Energy: 0.24443423682118978
Energy: -0.7375373201547462
Energy: 0.2444342368240131
Energy: -0.5429262397142769
Energy: 0.2633183395110537
Energy: -0.7750443586424894
Energy: 0.2633183395054071
Energy: -0.8653578782730503
Energy: 0.2633183394983489
Energy: -0.21652509909525852
Energy: 0.7253038761179049
Energy: -0.6036385388071508
Energy: 0.7253037043046596
Energy: -0.21678659541596954
Energy: 0.7253035792950807
Energy: 0.24138399112053704
Energy: 0.03400227841914572
Energy: 0.24138399112053704
Energy: 0.03389318199714968
Energy: 0.24138399112332823
Energy: 0.03365799710404001
Energy: 0.43457099258322945
Energy: 0.24952812436497115
Energy: 0.43457099258464116
Energy: 0.24952812436779448
Energy: 0.43457099258464116
Energy: 0.24952812436779448
Energy: -0.37668304530648833
Energy: 0.15485216156900872
Energy: -2.2452624772295495
Energy: 0.15485216158453685
Energy: -0.3745687010115808
Energy: 0.1548521615746553
Energy: 0.2813705526942596
Energy: -1.89974925947114
Energy: 0.2813705526956713
Energy: -1.1464281769235505
Energy: 0.2813705526956713
Energy: -1.175433044340598
Energy: -0.9805976950213321
Energy: 0.2561681312240038
Energy: -0.9514005006884758
Energy: 0.2561681312310299
Energy: -0.8938082825163429
Energy: 0.2561681312268271
Energy: -1.1918539516521447
Energy: 0.04850829165602271
Energy: -0.5744126970472148
Energy: -0.07313406443568554
Energy: -1.2185476637653798
Energy: -0.0735370824207502

minimum gb energy = -2.2452624772295495 eV
minimum distance =  2.34328100840413 Angstroms
sigma value = 9


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

Energy: 0.6030089775080122
Energy: -4.631646081468379
Energy: 0.6030089775040458
Energy: -3.8006384829333193
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Energy: -5.812054233816807
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Energy: -6.093231396296044
Energy: -2.847051238733783
Energy: -3.863172171441392
Energy: -3.923325835649572
Energy: -3.142255803000653
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Energy: -3.2720169298922572
Energy: -5.350013378796632
Energy: -3.0556617879450205
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Energy: -3.2710668692423126
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Energy: -3.8615529023559843
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Energy: -5.714444294240987
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Energy: 0.28737719753630175
Energy: -2.656775623560756
Energy: -2.792530423910532
Energy: -3.5171594230437346
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Energy: -2.860457549371444
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Energy: -5.248758983491856
Energy: -3.866990769645318
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Energy: -2.9946919922099537
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Energy: -2.8083899035272712
Energy: -2.924325735133306
Energy: -5.752174952349668
Energy: -2.9213600193927887
Energy: -3.83771600156624
Energy: -2.9915235502972792
Energy: -5.896285475127412
Energy: -2.7822807607224838
Energy: 0.6030089774909928
Energy: -5.3720414185764715
Energy: 0.6030089774937692
Energy: -6.260968373493582
Energy: 0.6030089774957524
Energy: -4.638294747612105
Energy: -2.9234686647378476
Energy: -2.976867037311764
Energy: -3.5211671117486905
Energy: -6.379023677554115
Energy: -5.373555625353755
Energy: -5.915635117629111
Energy: -4.250231863454014
Energy: -2.663480572758787
Energy: -4.388986826149515
Energy: -3.1516507016198885
Energy: -2.837877441919482
Energy: -3.058217582283532
Energy: -4.189820138179546
Energy: 0.32400789333086766
Energy: -3.6186764879056814
Energy: 0.32400789333007435
Energy: -5.095601223214409
Energy: 0.3240078933312643
Energy: -3.520980941481826
Energy: -5.8167341409083635
Energy: -4.3295710046496145
Energy: -6.10483880558777
Energy: -3.283597468103444
Energy: -4.214202493442745

minimum gb energy = -6.633115292685689 eV
minimum distance =  2.30188725696023 Angstroms
sigma value = 57


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

Energy: 0.3868538362292664
Energy: 0.39178207767359635
Energy: 0.3868538362292664
Energy: 0.39178207767359635
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Energy: -0.5616790012132932
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Energy: -0.5029415526110839
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Energy: 0.30437349551168413
Energy: 0.16779730011661986
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Energy: 0.16779730892763653
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Energy: 0.16779729917711733
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Energy: 0.4465388182652613
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Energy: 0.4464414508980131
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Energy: 0.39199988320123275
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Energy: -0.5059027612773564
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Energy: 0.39178207767359635
Energy: 0.3868538362283635
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Energy: 0.31813718129303115
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Energy: 0.3043734878910515
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Energy: 0.3918592168943091
Energy: 0.1677973272861853
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Energy: 0.16779728987874298
Energy: 0.3918592168943091
Energy: 0.4465388182661641
Energy: 0.44288378341708756
Energy: 0.4465388182652613
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Energy: 0.44288378341708756
Energy: 0.10413927561336653
Energy: 0.4131453708385052
Energy: 0.1041392756205897
Energy: 0.4131453708376023
Energy: 0.10413927561426943
Energy: 0.4131453708394081
Energy: 0.13055764807941753
Energy: 0.413124115830463
Energy: 0.13055764806767994
Energy: 0.4131241158313659
Energy: 0.1305576480830291
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Energy: 0.4464414508980131
Energy: 0.442755522016243
Energy: 0.4464414508980131
Energy: 0.442755522016243
Energy: 0.44644145089981896
Energy: 0.4427555220153402

minimum gb energy = -1.9549545957792476 eV
minimum distance =  2.47298447928159 Angstroms
sigma value = 11


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

Energy: -3.3319405773889987
Energy: 0.28883810968385115
Energy: -3.0218458428408668
Energy: 0.28883788961012674
Energy: -3.026156844051968
Energy: 0.2888374264104206
Energy: -3.7052377726962837
Energy: -3.5416139129712274
Energy: -3.742581320393795
Energy: -3.5372259751296538
Energy: -3.4887778685860518
Energy: -3.135464464616669
Energy: -4.014567340564881
Energy: -3.766602389612724
Energy: -2.853447691777508
Energy: -3.390934491360338
Energy: -3.130481138971584
Energy: -3.42465091427166
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minimum gb energy = -4.339271173050108 eV
minimum distance =  2.30271696297296 Angstroms
sigma value = 41


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

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minimum gb energy = -3.5572111136385347 eV
minimum distance =  2.3179671073614 Angstroms
sigma value = 33


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

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Energy: -3.5216543251083245
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Energy: -4.526134762848067
Energy: -2.9140735221331457
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Energy: -2.852814668402587
Energy: 0.1343585657118086
Energy: -3.4599839736895417
Energy: 0.13454450386879274

minimum gb energy = -6.75108179581131 eV
minimum distance =  2.40280311444083 Angstroms
sigma value = 67


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

Energy: 0.06391137967947792
Energy: -0.46121363013333466
Energy: 0.06391137967483788
Energy: -0.4612136301321121
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Energy: -0.46121363013625205
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Energy: 0.013955227670194694
Energy: 0.40473248321695976
Energy: 0.013955216899641892
Energy: 0.404732483219905

minimum gb energy = -0.4612136301377246 eV
minimum distance =  2.41975066908602 Angstroms
sigma value = 3


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

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minimum gb energy = -5.716449482154762 eV
minimum distance =  2.29004922123239 Angstroms
sigma value = 81


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

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Energy: -0.7017806412089288
Energy: -0.9420767591831812
Energy: -0.7636125231662418
Energy: -0.53652929926071
Energy: -0.6181152014945847
Energy: -0.5365292992945033
Energy: -0.6181152014977813
Energy: -0.5365292991808349
Energy: -0.618115201500978
Energy: -0.8184342807961195
Energy: -0.6149120806366705
Energy: -0.8184342807974895
Energy: -0.6149120806362138
Energy: -0.8184342807970326
Energy: -0.6149120806348438

minimum gb energy = -3.555446470215106 eV
minimum distance =  2.39227750495636 Angstroms
sigma value = 43


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

Energy: -0.14560560303559744
Energy: -0.45912737317099633
Energy: -0.1456056030384021
Energy: -0.45912737317043545
Energy: -0.14560560303559744
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Energy: -0.8009464907096432
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Energy: -0.4802888448746702
Energy: -0.6279028808946808
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Energy: -0.7029855799221025
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Energy: -0.6912982144920882
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Energy: -0.8693162541283351
Energy: -0.30896647852394293
Energy: -0.870202613375315
Energy: -0.3089664785346007
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Energy: -0.6788136630075318
Energy: -0.3948563372350355
Energy: -2.1441356480430644
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Energy: -2.3862947814029627
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Energy: -0.38300074015527114
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Energy: -0.5129584940888616
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Energy: -0.31132521769022864
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Energy: -0.6985259421137981
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Energy: -0.6985259421098716
Energy: -0.33125519542462656
Energy: -1.0240421786884135
Energy: -0.39925029046834365
Energy: -2.397162212492866
Energy: -0.39925029047002647
Energy: -2.280391005705763
Energy: -0.3992502904677828
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Energy: -0.5120485410469479
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Energy: -0.5120485410503136
Energy: -0.35440329271274723
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Energy: -0.6442861726610484
Energy: -0.2950833107105963
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Energy: -0.2950833102009379
Energy: -0.6442861694645732
Energy: -0.85551954544641
Energy: -0.4894121588324293
Energy: -0.855053035424848
Energy: -0.48941215880943095
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Energy: -0.6825751716522068
Energy: -0.49339470195465107
Energy: -0.6825751716454758
Energy: -0.49521714096806196
Energy: -0.6825751716482803
Energy: -0.3705156688151178
Energy: -0.6779965864330089
Energy: -0.37051566881960524
Energy: -0.666445271244131
Energy: -0.3705156688151178
Energy: -0.6657353100531933
Energy: -0.3243855361287076
Energy: -0.42074219851774375
Energy: -0.32438553612702475
Energy: -0.42074219842075333
Energy: -0.32438553613207316
Energy: -0.42074219843589855
Energy: -0.5656177824911699
Energy: -0.379873721984926
Energy: -0.5537222006742729
Energy: -0.3798737219882916
Energy: -0.5591709307679502
Energy: -0.3798737219652934

minimum gb energy = -2.8419126943918966 eV
minimum distance =  2.39681866183494 Angstroms
sigma value = 57


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

Energy: -0.5496065900823947
Energy: -1.0691116650342716
Energy: -0.6501130650914588
Energy: -1.0691114672471782
Energy: -0.5496065901012782
Energy: -1.0691113468291173
Energy: -0.7495971054816375
Energy: -2.8872624102807793
Energy: -0.7390122160914671
Energy: -2.887262410638674
Energy: -0.7385502420843586
Energy: -2.887262410571162
Energy: -1.2783181531595649
Energy: -0.6633507239018864
Energy: -1.1408166213316329
Energy: -0.6633507239033389
Energy: -1.2783182548143093
Energy: -0.6633507239164121
Energy: -0.6486491288093738
Energy: -1.0758990581192671
Energy: -0.6486491288028372
Energy: -1.0756243733121278
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Energy: -1.073036541428305
Energy: -0.9240385512617874
Energy: -1.6738303650742679
Energy: -0.9240382648873199
Energy: -1.1571197177607968
Energy: -0.9240376941689211
Energy: -1.169946718277827
Energy: -1.3681268348442395
Energy: -1.021534432464633
Energy: -1.3637110288238943
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Energy: -1.0295284865950611
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Energy: -1.013652584909856
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Energy: -1.1166442829382126
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Energy: -1.1568461228975724
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Energy: -1.5081627955299401
Energy: -1.193269189594709
Energy: -1.5081627956185144
Energy: -1.193269189617917
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Energy: -1.6137870498749
Energy: -0.9104752301188133
Energy: -1.6137870498741735
Energy: -0.9104752301246236
Energy: -1.6137870498763525
Energy: -0.9104752301231711
Energy: -0.9728344600633113
Energy: -1.093266970785966
Energy: -0.9728343707332752
Energy: -1.0932669708055756
Energy: -0.9728341888811017
Energy: -1.0932669708680032
Energy: -1.1974450101040013
Energy: -1.0649144405435726
Energy: -1.1974450098491733
Energy: -1.0649144426387152
Energy: -1.1974450097845666
Energy: -1.0649144433407383
Energy: -1.056169376507952
Energy: -1.1975146746660137
Energy: -1.0906321133514822
Energy: -1.1975146743777763
Energy: -1.0847303121836784
Energy: -1.1975146748024896
Energy: -1.5144778370812289
Energy: -2.665271732043313
Energy: -1.4694971993813521
Energy: -2.6652717326937694
Energy: -1.5059159489313694
Energy: -2.66527173376818
Energy: -0.8866324646416746
Energy: -1.1678824323517494
Energy: -0.9956597944949028
Energy: -2.4071952716827494
Energy: -1.1001525390223117
Energy: -2.1814051764672455

minimum gb energy = -2.887262410638674 eV
minimum distance =  2.37486858539019 Angstroms
sigma value = 17


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

Energy: -1.3583377228554732
Energy: -1.38689300964232
Energy: -1.3583377227148037
Energy: -1.3868930095488985
Energy: -1.3583377227948963
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Energy: -0.9595555908462643
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Energy: -1.957278059666953
Energy: -1.7363961567367119
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Energy: -1.7363961698791175
Energy: -2.02280997453947
Energy: -1.8448486274745175
Energy: -1.8120660598321106
Energy: -1.8448486250094613
Energy: -1.8425281613313766
Energy: -1.8448486292290824
Energy: -1.8295508933720892
Energy: -1.6504772714867293
Energy: -1.4597362340827826
Energy: -1.658298499501812
Energy: -1.4597362346228178
Energy: -1.6547085451609786
Energy: -1.4597362290161797
Energy: -1.4090930961410453
Energy: -1.4902509315080479
Energy: -1.4068330282268358
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Energy: -1.4072585751070121
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Energy: -1.9992502788118556
Energy: -1.4243323175906544
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Energy: -2.034678544040707
Energy: -2.1499243923774762
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Energy: -2.0789466804089787
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Energy: -2.030819086241804
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Energy: -1.8429537537524108
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Energy: -1.3541077677028168
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Energy: -1.9001923911336425
Energy: -1.8568610699210586
Energy: -1.9817166103560953
Energy: -1.8138026202434383
Energy: -1.9517734795629218
Energy: -1.8060734369253055
Energy: -1.9935621554028622
Energy: -1.774484799550533
Energy: -1.3856791259787815
Energy: -1.7638083411336891
Energy: -1.3856790860443755
Energy: -1.7709628949347769
Energy: -1.3856791740639
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Energy: -2.0667688777448605
Energy: -1.3999247558456744
Energy: -2.066768877573377
Energy: -1.3999247414938514
Energy: -2.066768877292085

minimum gb energy = -2.1499243923774762 eV
minimum distance =  2.38679168376945 Angstroms
sigma value = 17


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

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Energy: -2.2552983252278977
Energy: -2.4190875857661123
Energy: -2.2552983373929707
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Energy: -2.4189761574673585
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Energy: -2.6727284077417703
Energy: -2.4201553460818572
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Energy: -2.420155342229804
Energy: -2.5658732364080343
Energy: -2.9977717999148434
Energy: -2.565873234704035
Energy: -2.7768421087704582
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Energy: -3.0877956102409083
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Energy: -2.131097734652259
Energy: -2.717661298697884
Energy: -2.13109773468637
Energy: -2.6428675244033624
Energy: -2.1310977346348072

minimum gb energy = -3.5753084049873536 eV
minimum distance =  2.37877199392999 Angstroms
sigma value = 57


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

Energy: -3.1262745136872616
Energy: -3.2654571569508715
Energy: -3.1262745332392816
Energy: -3.26545715783659
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Energy: -4.007325634253628
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Energy: -3.00113549005206
Energy: -3.692258638739056
Energy: -3.0010704855487815
Energy: -3.8248327569866665
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Energy: -3.8170097546883976
Energy: -2.944477411063513
Energy: -3.7282392770994357
Energy: -2.944477411160328
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Energy: -3.688088546595709
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Energy: -2.705204954572794
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Energy: -2.930648708849609
Energy: -3.695045758828338
Energy: -3.185797243869663
Energy: -3.7483865565086196
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Energy: -3.0374081544123177
Energy: -3.6995377049438667
Energy: -2.9172895867284874
Energy: -3.0443539803304627
Energy: -3.9506797188496208
Energy: -3.044353980297526
Energy: -3.9506796647484967
Energy: -3.04435398029688
Energy: -3.950679390446903
Energy: -3.4910759344607962
Energy: -3.3329037496247755
Energy: -3.456775659693739
Energy: -3.332896492212472
Energy: -3.5351761842081966
Energy: -3.332897596369263
Energy: -3.86518384304019
Energy: -4.139167282649646
Energy: -3.682168126560547
Energy: -3.8054717719049465
Energy: -3.695499946062807
Energy: -3.475659483882183
Energy: -3.4977616362899857
Energy: -4.165179332150139
Energy: -3.4977616360885473
Energy: -4.234124500384335
Energy: -3.4977616360169197
Energy: -4.143379549482137
Energy: -3.350211591154905
Energy: -2.9546766638680197
Energy: -3.4026202017546425
Energy: -2.954676663870603
Energy: -3.389524820209789
Energy: -2.9546766638421866

minimum gb energy = -4.234124500384335 eV
minimum distance =  2.3741164459323 Angstroms
sigma value = 43


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

Energy: -1.980000978282622
Energy: -2.465582933372221
Energy: -1.9800009795633309
Energy: -2.4655829333185784
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Energy: -2.0220009083047916
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Energy: -2.4440827301690677
Energy: -2.674001938678471
Energy: -2.4059966461720004
Energy: -2.564503137095637
Energy: -2.3938241854432816
Energy: -2.653364770447024
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Energy: -2.654156028464035
Energy: -2.384242179000449
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Energy: -2.0857388571774163
Energy: -2.3927375768699735
Energy: -2.0439753701131234
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Energy: -2.0418916352503165
Energy: -1.8918786425242164
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Energy: -2.6812543128704114
Energy: -2.5607676752670825
Energy: -2.333949844579043
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Energy: -2.3339498444143936
Energy: -3.178934690159824
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Energy: -2.859477873413687
Energy: -2.661377545341057
Energy: -2.856840907678524
Energy: -2.6613775453424693
Energy: -2.819006463482056
Energy: -2.6613775453542328
Energy: -2.6914535867057228
Energy: -2.6389219432436115
Energy: -2.6525719874337534
Energy: -2.638921943278903
Energy: -2.607944899535359
Energy: -2.6389219432563165
Energy: -2.3447894847613227
Energy: -3.1746993992169212
Energy: -2.344789485453202
Energy: -3.241651675345421
Energy: -2.344789485782416
Energy: -3.1779061451693997
Energy: -2.8191460192987283
Energy: -2.597617812851973
Energy: -2.884305129573352
Energy: -2.597617812828916
Energy: -2.8143992811052
Energy: -2.597617812856678

minimum gb energy = -3.241651675345421 eV
minimum distance =  2.37122992020362 Angstroms
sigma value = 81


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

Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.6258243156045376
Energy: -0.10728144137003764
Energy: 0.6258243156028087
Energy: -0.10728144137003764
Energy: 0.6258243156028087
Energy: -0.10728144137003764
Energy: 0.6258398492950868
Energy: -0.1074525341653892
Energy: 0.6258398492950868
Energy: -0.1074525341653892
Energy: 0.6258398492950868
Energy: -0.1074525341653892
Energy: 0.0036428282177511802
Energy: -0.10656561531306812
Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.0036428282177511802
Energy: -0.10656561531306812
Energy: 0.6258243156028087
Energy: -0.10728144137003764
Energy: 0.6258243156028087
Energy: -0.10728144137003764
Energy: 0.6258243156028087
Energy: -0.10728144136830874
Energy: 0.6258398492968158
Energy: -0.1074525341653892
Energy: 0.6258398492950868
Energy: -0.10745253416366028
Energy: 0.6258398492950868
Energy: -0.10745253416366028
Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.0036428282177511802
Energy: -0.10656561531306812
Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.6258243156028087
Energy: -0.10728144137003764
Energy: 0.6258243156028087
Energy: -0.10728144136830874
Energy: 0.6258243156028087
Energy: -0.10728144137003764
Energy: 0.6258398492950868
Energy: -0.10745253416366028
Energy: 0.6258398492950868
Energy: -0.10745253416366028
Energy: 0.6258398492950868
Energy: -0.1074525341653892
Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.0036428282177511802
Energy: -0.10656561531479704
Energy: 0.0036428282177511802
Energy: -0.10656561531479704

minimum gb energy = -0.1074525341653892 eV
minimum distance =  2.43415370176649 Angstroms
sigma value = 3


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

Energy: -1.3315080936582546
Energy: -1.093324432981067
Energy: -1.331510958993186
Energy: -1.1250740648288273
Energy: -1.3315184846516042
Energy: -1.1128265227286496
Energy: -1.131988605653417
Energy: -2.808458783991676
Energy: -1.081145814978132
Energy: -2.897655099054449
Energy: -1.0944097115795324
Energy: -2.898284424056121
Energy: -3.3229262239089006
Energy: -1.4348500374257531
Energy: -4.237663697411845
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Energy: -3.8086588595390154
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Energy: -1.001184233658744
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Energy: -3.085763091547907
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Energy: -5.007563218798223
Energy: -1.2371962971451815
Energy: -4.92851266231971
Energy: -1.236969853547481
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Energy: -1.2365613113300142
Energy: -4.139941442873476
Energy: -0.9605420068053209
Energy: -2.9260509329950026
Energy: -3.0908423694687346
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Energy: -0.9840527240321205
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Energy: -1.4144722598054793
Energy: -3.8755153527379833
Energy: -0.9966333876561009
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Energy: -1.0363732122006948
Energy: -1.2606725371738912
Energy: -2.5705478193585045
Energy: -1.2606726265444286
Energy: -3.2566625763776935
Energy: -1.2606722712632659
Energy: -3.4753549179214787
Energy: -2.9835552303691606
Energy: -1.2135947281637496
Energy: -4.141946910534621
Energy: -1.3225458388638553
Energy: -3.267774163890409
Energy: -0.915317269058593

minimum gb energy = -5.007563218798223 eV
minimum distance =  2.31494753012034 Angstroms
sigma value = 67


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

Energy: -4.542338159667975
Energy: -1.5724661975267207
Energy: -4.556452986764011
Energy: -1.5565113869601739
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Energy: -1.0806729893619278
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Energy: -4.790256560240962
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Energy: -4.777620776011963
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Energy: -1.3833472005813066
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Energy: -5.067863582035664
Energy: -6.4802562556407715
Energy: -6.623484636871683
Energy: -6.796712758064127
Energy: -1.7801290054296282
Energy: -6.758093440250641
Energy: -1.7806647446900579
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Energy: -1.7822473439823077
Energy: -6.680756072240334
Energy: -1.7357810803537845
Energy: -8.20820771971482
Energy: -1.7726149022402233
Energy: -8.600794984034426
Energy: -1.7511220976898012
Energy: -7.703621272590655

minimum gb energy = -8.600794984034426 eV
minimum distance =  2.39349255337439 Angstroms
sigma value = 33


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

Energy: -4.085220336874789
Energy: -4.026771807773915
Energy: -3.019023913334965
Energy: -4.724499008337824
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Energy: -0.8973808412263493
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Energy: -0.897380840100238
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Energy: -0.8973808410580725
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Energy: -0.623327879619601
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Energy: -0.5879453064163987
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Energy: -5.1966190403114565
Energy: -0.7889703596834063
Energy: -5.084878709613068
Energy: -0.7945567897143571
Energy: -0.9421975026047158
Energy: -0.8142694683546134

minimum gb energy = -6.057095115814917 eV
minimum distance =  2.32150841977336 Angstroms
sigma value = 41


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

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Energy: -0.31538534544061414
Energy: -0.822015488811448
Energy: -0.3153854083618359
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Energy: -2.5941362242566997
Energy: -0.8913199004017697
Energy: -2.1850885418357207
Energy: -0.8680191644403759
Energy: -3.13749071698422
Energy: -0.4406522747590317
Energy: -1.383303485805937
Energy: -0.4694396824719357
Energy: -1.3832971942697425
Energy: -0.4086056574564403
Energy: -1.3832924256723735
Energy: -1.6226759118958471
Energy: -0.8543221300832934
Energy: -4.093044210644613
Energy: -0.8462315188323588
Energy: -4.058166324820442
Energy: -0.8347097052874264
Energy: -2.6661357818558327
Energy: -0.29160187905059426
Energy: -1.1218206823332086
Energy: -0.29160129771693266
Energy: -1.1319410430066152
Energy: -0.29160141142287155
Energy: -4.123421343145905
Energy: -1.4242045073415073
Energy: -4.018307437821855
Energy: -1.4207728634030679
Energy: -3.8492745415324645
Energy: -1.418783917762036
Energy: -0.695271571960977
Energy: -1.417297348432277
Energy: -0.6952654400717772
Energy: -1.4059663064827697
Energy: -0.6952716046296229
Energy: -1.4175538797506542
Energy: -1.6311755053144055
Energy: -2.3115083911334486
Energy: -1.6490806880025053
Energy: -2.2229792148292176
Energy: -1.6309551867313474
Energy: -2.43882964379313
Energy: -1.3345107544540775
Energy: -1.3984435843533294
Energy: -1.31386341018482
Energy: -1.3995669624076539
Energy: -1.875670659068261
Energy: -1.4024326544576218

minimum gb energy = -4.123421343145905 eV
minimum distance =  2.39369470332365 Angstroms
sigma value = 11


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

Energy: -0.08888866114416227
Energy: -2.028358621431849
Energy: -0.08888866205697835
Energy: -2.031806955830502
Energy: -0.08888866330505373
Energy: -1.957080839661909
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Energy: -1.844667748688971
Energy: -1.5136669081916705
Energy: -1.7513463340450695
Energy: -2.3148756426111077
Energy: -1.772451219884849
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Energy: -1.619005694096342
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Energy: -1.9174747939131105
Energy: -3.2155282404041206
Energy: -2.3605418202225827
Energy: -3.06956910525874
Energy: -1.7570325741515882
Energy: -0.4996485228913762
Energy: -2.418447183759846
Energy: -0.41898901558809304
Energy: -1.8924187639364756
Energy: -0.4353498644564655
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Energy: -2.229255319981241
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Energy: -2.4361993350675335
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Energy: -1.912912852117757
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Energy: -1.6010726421804737
Energy: -2.2275645621915108
Energy: -1.6349722988938789
Energy: -2.314170095962163
Energy: -2.675404164886782
Energy: -2.6791187558001672
Energy: -2.6492690183058674
Energy: -3.04884011073241
Energy: -2.5786459674487587
Energy: -2.3548723209138576
Energy: -2.0503985289617237
Energy: -1.98911237653022
Energy: -1.9885194527252479
Energy: -2.0461515882097903
Energy: -1.932420526726051
Energy: -2.264220022634842
Energy: -2.4315511152395555
Energy: -1.9636771995591271
Energy: -2.7787705227419175
Energy: -1.9575841187346874
Energy: -2.516324292234712
Energy: -2.3595798003761703
Energy: -1.8507647064865447
Energy: -1.6845581077510074
Energy: -2.8933893339902306
Energy: -1.4259591371564457
Energy: -2.598885337224282
Energy: -2.6149260793943108
Energy: -2.0158640752395627
Energy: -2.2438367338570617
Energy: -2.3786912514145775
Energy: -1.299585791860852
Energy: -3.2164515443407904
Energy: -1.394862829867123
Energy: -2.7234569318091526
Energy: -2.3319567416729696
Energy: -2.3785648781290587
Energy: -1.9454260060518593
Energy: -1.5963364710582828
Energy: -1.8959221995663202

minimum gb energy = -3.4448726938354355 eV
minimum distance =  2.29613468788464 Angstroms
sigma value = 57


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

Energy: -0.5976840452038953
Energy: -1.7245102386275755
Energy: -0.5875767631281882
Energy: -1.3111615820818927
Energy: -0.628433765331562
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Energy: -0.7678957110563877
Energy: -1.377428734789954
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Energy: -1.3161492851243743
Energy: -0.7886247643079343
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Energy: -1.7015516976554659
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Energy: -1.663317348631796
Energy: -0.2567906103737708
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Energy: -0.7117893552234661
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Energy: -0.5685102877764099
Energy: -1.2380724918096138
Energy: -0.7735664796094799
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Energy: -0.7800014647037945
Energy: -1.3958900152603633
Energy: -0.7867501881916729
Energy: -1.2901696155558295
Energy: -0.8745813267520954
Energy: -1.690094918842679
Energy: -1.0522097047485588
Energy: -1.6595945574249071
Energy: -1.1706978787059643
Energy: -1.658236670262622
Energy: -0.1910222329035837
Energy: -1.6332651290562452
Energy: -0.2120867576625452
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Energy: -1.5885286787051904
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Energy: -1.0873831053409506
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Energy: -1.6775925248360435
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Energy: -1.3657096272560643
Energy: -0.725064365798863
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Energy: -1.1833713120299534
Energy: -0.5974202325112135
Energy: -1.3032888400505112
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Energy: -1.2823304554927333
Energy: -0.5498870748548308
Energy: -1.2908151427271684
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Energy: -1.4066976831013658
Energy: -0.8837087593467153
Energy: -1.3322706301192118
Energy: -0.7866932681757333
Energy: -1.3106016857099967
Energy: -0.8479740240019126
Energy: -1.6778685897299874
Energy: -1.0428200392850726
Energy: -1.660677611509957
Energy: -0.8309851461884769
Energy: -1.665274771626224
Energy: -0.20527152759401757
Energy: -1.4808691578425857
Energy: -0.23404763883849292
Energy: -1.609876538028524
Energy: -0.23982057716041047
Energy: -1.61888303704556
Energy: -1.4646812758442602
Energy: -1.7096999466593288
Energy: -0.8110994532974184
Energy: -1.6732886958905735
Energy: -1.0423580462031699
Energy: -1.6778949016196316

minimum gb energy = -2.432195342935751 eV
minimum distance =  2.39237138347814 Angstroms
sigma value = 9


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

Energy: -1.9647101125638737
Energy: -3.2623318217607773
Energy: -3.3684063429327615
Energy: -3.3353165713223487
Energy: -3.263114069300316
Energy: -3.2953733489267014
Energy: -1.8397682841558016
Energy: -2.499066001898277
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Energy: -2.825092438403138
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Energy: -2.363421777403773
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Energy: -1.8015380433253076
Energy: -1.557112678573671
Energy: -1.793289129356264
Energy: -1.8218988284631614
Energy: -4.081337401923246
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Energy: -5.109491699469368
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Energy: -2.229862673446177
Energy: -2.5589381030045866
Energy: -2.19153661166002
Energy: -2.049893182903074
Energy: -2.1544820042746307
Energy: -2.0658288724582508
Energy: -2.0689542430808023
Energy: -2.342144703579708
Energy: -2.174058557080597
Energy: -2.290098598644251
Energy: -2.0600732906614656
Energy: -2.3185996884723608
Energy: -2.5437098734824803
Energy: -2.148462831060538
Energy: -2.5412709102128996
Energy: -2.1151879249490753
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Energy: -1.8276641220996737
Energy: -2.0431746556031882
Energy: -3.250979556296243
Energy: -2.0679361032379404
Energy: -3.2329396685168734

minimum gb energy = -5.109491699469368 eV
minimum distance =  2.26197330834991 Angstroms
sigma value = 27


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

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Energy: -2.128273398145163
Energy: -1.6604142306488674
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Energy: -2.055151050185408
Energy: -1.046431564053903
Energy: -2.0515853005473685
Energy: -1.14843389223147
Energy: -1.9263697656103598
Energy: -1.6593414097973984
Energy: -1.937465031993782
Energy: -1.8775778048538836
Energy: -1.9615001607528089
Energy: 0.7307401838414348
Energy: -2.0918040744682953
Energy: 0.7307401838448698
Energy: -1.86477514947418
Energy: 0.7307401838414348
Energy: -1.856571581788313
Energy: -2.100337998712221
Energy: -1.280715593532276
Energy: -2.1003379769673436
Energy: -1.2590117380362031
Energy: -2.1003379882771975
Energy: -1.9267794065073935
Energy: 0.7321267233249155
Energy: -2.53068489842244
Energy: 0.7321267233256024
Energy: -1.8202264198659237
Energy: 0.7321267233262894
Energy: -1.8629261453492478
Energy: -2.0016196658217087
Energy: -1.6268261083645255
Energy: -2.129825077589838
Energy: -1.5808564595578702
Energy: -2.0231595211475177
Energy: -1.9507840572679316

minimum gb energy = -2.53068489842244 eV
minimum distance =  2.23855585269194 Angstroms
sigma value = 19


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

Energy: -1.0426976133479393
Energy: -1.2838319632757078
Energy: -0.8272042851610714
Energy: -1.283247507441073
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Energy: -1.0897190781088575
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Energy: -0.7404337608822433
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Energy: -0.8665735982841201
Energy: -1.8937760203046947
Energy: -1.2686977773327823
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Energy: -1.2730498031454933
Energy: -1.8253008679972875
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Energy: -1.253978993270955
Energy: -1.0697437380006778
Energy: -1.1914441013375612
Energy: -0.9853413976591627
Energy: -1.4256605369470883
Energy: -1.3241071146885572
Energy: -1.3301704887211756
Energy: -1.0272505040039883
Energy: -1.1701771444508713
Energy: -1.2245638548106452
Energy: -0.9673397172875797
Energy: -1.0178478484297
Energy: -1.4424569149281656
Energy: -1.1793625638010912
Energy: -1.565600934909763
Energy: -1.1675370819799271
Energy: -1.5017491390909241
Energy: -1.5993662880935948
Energy: -1.351575661198251
Energy: -1.7806109084823536
Energy: -1.0739867667618368
Energy: -2.2753138408901448
Energy: -1.0817827246906853
Energy: -1.4799131468692237
Energy: -1.458496849182767
Energy: -0.9316326214642922
Energy: -1.4013067366642173
Energy: -0.931528534854305
Energy: -1.1358690216500467
Energy: -1.6546130159975843
Energy: -0.9055312726494354
Energy: -1.3165484152765075
Energy: -1.0235066454508264
Energy: -1.3483956075270043
Energy: -0.8366465618909357
Energy: -1.354219589414689
Energy: -0.79075640889015
Energy: -1.4379753724099469
Energy: -1.2607955741525312
Energy: -1.4352326061381326
Energy: -1.3470321232745892

minimum gb energy = -2.368156942813679 eV
minimum distance =  2.31058001361879 Angstroms
sigma value = 101


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

Energy: -2.001769306420037
Energy: -3.436843079373344
Energy: -1.2203784089731402
Energy: -0.9794005966196193
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Energy: -1.8173645937685128
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Energy: -2.0429968466600403
Energy: -1.2200731733475878
Energy: -1.9226250275679215
Energy: -1.1300770742982795
Energy: -1.8911473746866576
Energy: -1.1871636099518683
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Energy: -1.198415038953903
Energy: -1.278534534155813
Energy: 0.7502258132226259
Energy: -0.9668849388859674
Energy: 0.7502258132184556
Energy: -1.0005048581977374
Energy: 0.7502258132158491
Energy: -0.9730304781278125
Energy: -1.8018793726166962
Energy: -3.4022011584687735
Energy: -2.3017765044570964
Energy: -3.527104581920575
Energy: -1.7921072313451063
Energy: -3.4795290809887307
Energy: -4.393672872212487
Energy: -1.366972804603298
Energy: -3.769691542374293
Energy: -3.4998122620780165
Energy: -3.436600083920148
Energy: -3.4351585362941024
Energy: -1.2105379127654667
Energy: -1.1173147337219291
Energy: -1.2472921256985743
Energy: -1.580858074752009
Energy: -1.2310944560522135
Energy: -3.1115898766041927
Energy: -0.912459020655272
Energy: -1.2881344493163351
Energy: -1.0641221057312238
Energy: -1.1745008856956487
Energy: -1.5093782037977324
Energy: -1.2008581856283744

minimum gb energy = -4.6149825077604225 eV
minimum distance =  2.30057745905204 Angstroms
sigma value = 33


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

Energy: 0.01601420203840499
Energy: 0.4806855655767782
Energy: 0.01601420203840499
Energy: 0.48068556557593606
Energy: 0.01601420203840499
Energy: 0.4806855655763691
Energy: 0.016702440490112283
Energy: -5.401380366001117
Energy: 0.016702440490112283
Energy: -5.401380366000275
Energy: 0.016702440490112283
Energy: -5.401380366000708
Energy: 0.4804415037555194
Energy: -5.403048328136636
Energy: -1.35354866591066
Energy: -5.403048328136636
Energy: 0.4806533986929879
Energy: -5.403048328137069
Energy: 0.01670244049095446
Energy: -5.401380366000275
Energy: 0.01670244049095446
Energy: -5.401380366000275
Energy: 0.016702440490521338
Energy: -5.401380366001117

minimum gb energy = -5.403048328137069 eV
minimum distance =  2.45389585271916 Angstroms
sigma value = 1