Model name: model_name=SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.166686400771141
cohesive_energy=6.879122063701007
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 6.87704751902673 eV

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

Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.0742715212039826
Energy: 0.019561519024308877
Energy: 0.019561639837094472
Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.873977164392921
Energy: 1.4941064488918983
Energy: 0.019561760342911235
Energy: 0.019561486952316628
Energy: 1.4798324570662174
Energy: 0.019561486952316628
Energy: 0.019561760342911235
Energy: 1.4941064488918983
Energy: 0.019561760342911235
Energy: 0.019561486952316628
Energy: 1.4798324570662174
Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.792522386974092
Energy: 0.019561519024308877
Energy: 0.019561639837094472
Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.792522386974092
Energy: 1.4941064488918983
Energy: 0.019561760342911235
Energy: 0.019561486952316628
Energy: 1.4798324570662174
Energy: 0.019561486952316628
Energy: 0.019561760342911235
Energy: 1.4941064488918983
Energy: 0.019561760342911235
Energy: 0.019561486952316628
Energy: 1.4798324570662174
Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.0139660790217624
Energy: 0.019561519024308877
Energy: 0.019561639837094472
Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.4843934921097497
Energy: 1.4941064488918983
Energy: 0.019561760342911235
Energy: 0.019561486952316628
Energy: 1.4798324570662174
Energy: 0.019561486952316628
Energy: 0.019561760342911235
Energy: 1.4941064488918983
Energy: 0.019561760342911235
Energy: 0.019561486952316628
Energy: 1.4798324570662174
Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.0139660790217624
Energy: 0.019561519024308877
Energy: 0.019561639837094472
Energy: 0.01956147686164746
Energy: 0.019561639837094472
Energy: 0.019561519024308877
Energy: 2.0139660790217624

minimum gb energy = 0.01956147686164746 eV
minimum distance =  2.52655541440634 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.1506092234864362
Energy: 2.1573778802261123
Energy: 2.023833617852085
Energy: 2.318613733074557
Energy: 2.02382981034614
Energy: 2.1573766162377703
Energy: 2.1506092234864362
Energy: 2.1573778802261123
Energy: 2.023833617852085
Energy: 2.0958522108786695
Energy: 2.039141501946308
Energy: 1.9930410862818895
Energy: 2.023833218093406
Energy: 2.124989493653324
Energy: 2.0238298181412855
Energy: 2.0256151976518386
Energy: 2.0391415020320918
Energy: 1.9930410862818895
Energy: 2.023833218093406
Energy: 2.124989493653324
Energy: 2.0567771718121537
Energy: 2.027297626920013
Energy: 1.9930480664720858
Energy: 2.0594662895184928
Energy: 2.0003838858225076
Energy: 2.027312366827384
Energy: 2.0567771718121537
Energy: 2.027297626920013
Energy: 1.9930480664720858
Energy: 2.0594662895184928
Energy: 2.0016231926139736
Energy: 2.025611532488418
Energy: 2.0324260811845987
Energy: 2.0016226702655984
Energy: 2.025623935774369
Energy: 2.034706039829576
Energy: 2.001623192614477
Energy: 2.025611532488418
Energy: 2.0324260811845987
Energy: 2.0016226702669413
Energy: 2.077899976904678
Energy: 2.001630563696772
Energy: 2.00164393321084
Energy: 1.9930361381457427
Energy: 2.0256250780276206
Energy: 2.059428477842168
Energy: 2.077899976904678
Energy: 2.001630563696772
Energy: 2.00164393321084
Energy: 1.9930361381457427
Energy: 2.022862272778521
Energy: 1.9930517937879804
Energy: 2.001618081820288
Energy: 2.0347092417266732
Energy: 2.0347446968309235
Energy: 2.058299837098051
Energy: 2.0416965559041693
Energy: 1.9930517937879804
Energy: 2.001618081820288
Energy: 2.0347092417266732
Energy: 2.001620688666082
Energy: 2.0324260909431597
Energy: 2.0126518738488968
Energy: 2.0003551604793595
Energy: 2.034707153582971
Energy: 2.0389280044468814
Energy: 2.001620688666082
Energy: 2.0324260909431597
Energy: 2.0126518738488968
Energy: 2.0003551604793595
Energy: 2.1265513265017377
Energy: 2.023862817793753
Energy: 2.147342446245452
Energy: 2.0003704429422298
Energy: 2.025634308731296
Energy: 2.0795164321875736
Energy: 2.1265513265017377
Energy: 2.023862817793753
Energy: 2.147342446245452
Energy: 2.0003704429422298
Energy: 2.1529338905841002
Energy: 2.0238288774289317
Energy: 2.0003596257804643
Energy: 2.063669653890466
Energy: 2.1573956914188424
Energy: 2.096295411000488
Energy: 2.1529338905841002
Energy: 2.0238288774289317
Energy: 2.000359625765279
Energy: 2.063669653890466
Energy: 1.997965203687328
Energy: 2.0003824234120557
Energy: 2.001636849671256
Energy: 2.0553420086363214
Energy: 2.011745841763061
Energy: 2.1113561404708667
Energy: 1.9979652036868667
Energy: 2.0003824234120557
Energy: 2.0016368501122126
Energy: 2.0553420086363214
Energy: 2.0256172301523407
Energy: 2.023830504967195
Energy: 2.0256313888214907
Energy: 2.0003548094926393
Energy: 2.034715650005439
Energy: 1.9955833012435886
Energy: 2.0256172301523407
Energy: 2.023830504967195
Energy: 2.0256313888214907
Energy: 2.0003548094926393
Energy: 2.001625239092707
Energy: 2.0256269360130306
Energy: 2.034718122991549
Energy: 2.0003618654358415
Energy: 2.001624630229118
Energy: 2.0643197212648214
Energy: 2.001625239092707
Energy: 2.0256269360130306
Energy: 2.034718122991549
Energy: 2.0003618654358415
Energy: 2.0347124237331435
Energy: 2.0256255629381634
Energy: 2.11292827165072
Energy: 1.9930368763901494
Energy: 2.0016482605044894
Energy: 2.0016225474678406
Energy: 2.0347124237331435
Energy: 2.0256255629381634
Energy: 2.11292827165072
Energy: 1.9930368763901494
Energy: 1.9930375203477708
Energy: 2.11292827165072
Energy: 2.0256270001810615
Energy: 2.034716759675202
Energy: 2.001621072172195
Energy: 2.0016186657244273
Energy: 1.9930375203477708
Energy: 2.11292827165072
Energy: 2.0256270001810615
Energy: 2.034716759675202
Energy: 2.000365422866901
Energy: 2.0347187305393146
Energy: 2.025609183642275
Energy: 2.0016296500637076
Energy: 2.064312794794638
Energy: 2.00164835425304
Energy: 2.000365422866901
Energy: 2.0347187305393146
Energy: 2.025609183642275
Energy: 2.0016296500637076
Energy: 2.0003553817421276
Energy: 2.0256332975538105
Energy: 2.0238300215358214
Energy: 2.0256170383054046
Energy: 1.9955850984038417
Energy: 2.0347162358762665
Energy: 2.0003553817421276
Energy: 2.0256332975538105
Energy: 2.0238300215358214
Energy: 2.0256170383054046
Energy: 2.05534287169354
Energy: 2.001627088199623
Energy: 2.0003866602041356
Energy: 2.1529343754655734
Energy: 2.111356625844892
Energy: 2.0117490470903263
Energy: 2.05534287169354
Energy: 2.0016270868998243
Energy: 2.0003866602041356
Energy: 2.1529343754655734
Energy: 2.0636699756527204
Energy: 2.000378762708206
Energy: 2.0238299247639557
Energy: 2.1529333931693775
Energy: 2.096296110996166
Energy: 2.157396711425993
Energy: 2.0636699756527204
Energy: 2.0003787626473395
Energy: 2.0238299247639557
Energy: 2.1529333931693775
Energy: 2.0003721539645904
Energy: 2.1128398392404955
Energy: 2.023864491402192
Energy: 2.0256126639324803
Energy: 2.079518402819631
Energy: 2.0256343978930063
Energy: 2.0003721539645904
Energy: 2.1128398392404955
Energy: 2.023864491402192
Energy: 2.0256126639324803
Energy: 2.0003547960424903
Energy: 2.0126527744395046
Energy: 2.0324264021479967
Energy: 2.001622753709971
Energy: 2.0389265169090205
Energy: 2.034707037566099
Energy: 2.0003547960424903
Energy: 2.0126527744395046
Energy: 2.0324264021479967
Energy: 2.001622753709971
Energy: 2.034712623002098
Energy: 2.001618296490349
Energy: 1.993043340335733
Energy: 2.022854327976294
Energy: 2.058300495953571
Energy: 2.027317603895054
Energy: 2.034712623002098
Energy: 2.001618296490349
Energy: 1.993043340335733
Energy: 2.0258259038429682
Energy: 1.9930359762192729
Energy: 2.0016336171761493
Energy: 2.001629947549509
Energy: 2.07790001587705
Energy: 2.059428477842168
Energy: 2.0256241988170025
Energy: 1.9930359762192729
Energy: 2.0016336171761493
Energy: 2.001629947549509
Energy: 2.07790001587705
Energy: 2.001618263116727
Energy: 2.0324265789272706
Energy: 2.0256124481762194
Energy: 2.0016218734887845
Energy: 2.0347044844020195
Energy: 2.025619541853448
Energy: 2.001618263116727
Energy: 2.0324265789272706
Energy: 2.0256124481762194
Energy: 2.0016218734887845
Energy: 2.0594662895184928
Energy: 1.9930484844712018
Energy: 2.027324919558234
Energy: 2.0567760766700154
Energy: 2.027305636383243
Energy: 2.000383851041281
Energy: 2.0594662895184928
Energy: 1.9930484844712018
Energy: 2.034734530857809
Energy: 2.0567760766700154
Energy: 2.124983522187874
Energy: 2.0238318342443753
Energy: 1.9930378952520797
Energy: 2.2127270208990435
Energy: 2.025614854434886
Energy: 2.0238298782902415
Energy: 2.124983522187874
Energy: 2.0238318342443753
Energy: 1.9930378952525412
Energy: 2.2127270208990435
Energy: 2.1138504547550556
Energy: 2.02382981034614
Energy: 2.1573766162377703
Energy: 2.1506092234864362
Energy: 2.1573778802261123
Energy: 2.023833617852085
Energy: 2.11385045475967
Energy: 2.02382981034614
Energy: 2.1573766162377703
Energy: 2.1506092234864362
Energy: 2.124989493653324
Energy: 2.0238298181412855
Energy: 2.0256151976518386
Energy: 2.039141501549187
Energy: 1.9930410862818895
Energy: 2.023833218093406
Energy: 2.124989493653324
Energy: 2.0238298181412855
Energy: 2.0256151976518386
Energy: 2.039141501526115
Energy: 2.0594662895184928
Energy: 2.0003838858225076
Energy: 2.027312366827384
Energy: 2.0567771718121537
Energy: 2.027297626920013
Energy: 1.9930480664720858
Energy: 2.0594662895184928
Energy: 2.0003838858225076
Energy: 2.027312366827384
Energy: 2.0567771718121537
Energy: 2.0016226702720585
Energy: 2.025623935774369
Energy: 2.034706039829576
Energy: 2.001623192614477
Energy: 2.025611532488418
Energy: 2.0324260811845987
Energy: 2.001622670274324
Energy: 2.025623935774369
Energy: 2.034706039829576
Energy: 2.001623192614477

minimum gb energy = 1.9930359762192729 eV
minimum distance =  2.39570959833272 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.6627656730436065
Energy: 2.371419581935164
Energy: 2.3097246644955503
Energy: 2.5772663224047747
Energy: 2.270553036648859
Energy: 2.5172047233633483
Energy: 2.6627656730436065
Energy: 2.371419581935164
Energy: 2.3097246644955503
Energy: 2.4662499936212416
Energy: 2.479835119969868
Energy: 2.297791747452588
Energy: 2.335300035416656
Energy: 2.4297424513566073
Energy: 2.2983099178411575
Energy: 2.4557782303073914
Energy: 2.479835119969868
Energy: 2.289205990148376
Energy: 2.335300035416656
Energy: 2.4454633866276687
Energy: 2.309002605871664
Energy: 2.3109755219878196
Energy: 2.3236596237740055
Energy: 2.322169102766995
Energy: 2.3097442990362556
Energy: 2.310972312374961
Energy: 2.309002605871664
Energy: 2.3109755219878196
Energy: 2.3236596237740055
Energy: 2.322169102766995
Energy: 2.2906850864005874
Energy: 2.3221793262917076
Energy: 2.282964731017651
Energy: 2.3221834409440225
Energy: 2.3221947246826207
Energy: 2.282963581529486
Energy: 2.2906850864005874
Energy: 2.3221793262917076
Energy: 2.282964731017651
Energy: 2.3221834409440225
Energy: 2.310997622388824
Energy: 2.270549063339177
Energy: 2.38974449303498
Energy: 2.298314807953873
Energy: 2.2829560802573994
Energy: 2.2955349932790123
Energy: 2.310997622388824
Energy: 2.270549063339177
Energy: 2.38974449303498
Energy: 2.298314807953873
Energy: 2.445455715543635
Energy: 2.3550726710151233
Energy: 2.4557905320803477
Energy: 2.3967244254960014
Energy: 2.4454609031951997
Energy: 2.335307846976891
Energy: 2.445455715543635
Energy: 2.355072671127618
Energy: 2.4557905320803477
Energy: 2.3967244254960014
Energy: 2.5122710907448793
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Energy: 2.3353060577086335
Energy: 2.384203359049299
Energy: 2.270549321196557
Energy: 2.5122710907448793
Energy: 2.38507659199959
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Energy: 2.310985908298297
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Energy: 2.270552197552331
Energy: 2.3109915143401616
Energy: 2.3236538171666354
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Energy: 2.3097214107834234
Energy: 2.310982371819849
Energy: 2.270552197552331
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Energy: 2.3236538171666354
Energy: 2.2829602646920835
Energy: 2.3211565447989146
Energy: 2.3406581566944413
Energy: 2.282969410968571
Energy: 2.3207311216299584
Energy: 2.322169703020933
Energy: 2.2829602646920835
Energy: 2.3211565447989146
Energy: 2.3406581566944413
Energy: 2.282969410968571
Energy: 2.270555274514138
Energy: 2.3965243742357627
Energy: 2.30903631380482
Energy: 2.3893117141608595
Energy: 2.298318825819681
Energy: 2.361749009453084
Energy: 2.270555274514138
Energy: 2.3965243742357627
Energy: 2.30903631380482
Energy: 2.3893117141608595
Energy: 2.4332720420582876
Energy: 2.445480170572212
Energy: 2.3585011708001513
Energy: 2.3688257936996053
Energy: 2.4148065421531983
Energy: 2.445461231584383
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Energy: 2.4857990794143316
Energy: 2.5146627357435256
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Energy: 2.3773017902822384
Energy: 2.3352807711633834
Energy: 2.4228446132670998
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Energy: 2.3967126503326575
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Energy: 2.40908976340528
Energy: 2.2705500079250514
Energy: 2.3614443772458555
Energy: 2.3967126503326575
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Energy: 2.282966820590626
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Energy: 2.2705590193449248
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Energy: 2.32215980317728
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Energy: 2.2829592455144367
Energy: 2.3750780846037354
Energy: 2.270545161218459
Energy: 2.282955511803574
Energy: 2.321222133844633
Energy: 2.3221941347879564
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Energy: 2.3750780846037354
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Energy: 2.3617600025844907
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Energy: 2.396706239819195
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Energy: 2.298320309633919
Energy: 2.3617600025844907
Energy: 2.270559868330279
Energy: 2.396706239819195
Energy: 2.309037483325019
Energy: 2.453884558196286
Energy: 2.433276102153116
Energy: 2.390176972675253
Energy: 2.3066022298426216
Energy: 2.3914199333501562
Energy: 2.353684875563712
Energy: 2.453884558196286
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Energy: 2.3066022298381186
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Energy: 2.2805913655139345
Energy: 2.514930918149309
Energy: 2.3065755946030144
Energy: 2.5960699504720366
Energy: 2.3353256607485973
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Energy: 2.2805913655139345
Energy: 2.514930918149309
Energy: 2.3065755946030144
Energy: 2.362113511507195
Energy: 2.298327165148537
Energy: 2.455759478399845
Energy: 2.309023411807237
Energy: 2.396706239819195
Energy: 2.2705398738276417
Energy: 2.362113511507195
Energy: 2.298327165148537
Energy: 2.455759478399845
Energy: 2.309023411807237
Energy: 2.322188272828635
Energy: 2.321222133844633
Energy: 2.282956542008832
Energy: 2.3090371809970307
Energy: 2.3750780846037354
Energy: 2.2829627411974376
Energy: 2.322188272828635
Energy: 2.321222133844633
Energy: 2.282956542008832
Energy: 2.3090371809970307
Energy: 2.282963425180246
Energy: 2.3221666841116915
Energy: 2.323666282661544
Energy: 2.36656342133353
Energy: 2.346394377731211
Energy: 2.353509902640278
Energy: 2.282963425180246
Energy: 2.3221666841116915
Energy: 2.323666282661544
Energy: 2.36656342133353
Energy: 2.298317979624962
Energy: 2.362247625573262
Energy: 2.30973531000696
Energy: 2.366527914463818
Energy: 2.3434147167250114
Energy: 2.455755745699431
Energy: 2.298317979624962
Energy: 2.3622476255710105
Energy: 2.3097353100047084
Energy: 2.366527914463818
Energy: 2.278370731654281
Energy: 2.4731939962311666
Energy: 2.3352685128392485
Energy: 2.384533559606897
Energy: 2.384423452597698
Energy: 2.397745045065758
Energy: 2.278370731654281
Energy: 2.495424169106613
Energy: 2.3352685128392485
Energy: 2.4643291428897194
Energy: 2.4332754483206993
Energy: 2.4454714183352997
Energy: 2.298311210443136
Energy: 2.368080563563725
Energy: 2.3063176386768585
Energy: 2.505193260638256
Energy: 2.4332754483206993
Energy: 2.4454714183352997
Energy: 2.298311210443136
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minimum gb energy = 2.268227560184244 eV
minimum distance =  2.36069370295975 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.379417934539037
Energy: 2.2514573701973397
Energy: 2.4836271999661452
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Energy: 2.2933077557049337
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Energy: 2.332119265268689
Energy: 2.338658523283026
Energy: 2.4803806997363793
Energy: 2.293514538733282
Energy: 2.483633915571302
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Energy: 2.3610794730423925
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Energy: 2.3938366397049564
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Energy: 2.3980397717384574
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Energy: 2.3938452815952984
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Energy: 2.293299760261385
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Energy: 2.2946741728031337
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Energy: 2.2798622947994747
Energy: 2.4243993418441354
Energy: 2.278559622332505
Energy: 2.277492345034039
Energy: 2.2857308912704903
Energy: 2.393874128587233
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Energy: 2.4243993418441354
Energy: 2.278559622332505
Energy: 2.277492345034039
Energy: 2.2857308912704903
Energy: 2.4836775151511206
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Energy: 2.488782574203299
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Energy: 2.379426443094356
Energy: 2.337953916206054
Energy: 2.4836775151511206
Energy: 2.2785511944951193
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Energy: 2.332111023510512
Energy: 2.280417367650517
Energy: 2.393860034499028
Energy: 2.4119568028351566
Energy: 2.4977289722705827
Energy: 2.3386443221010764
Energy: 2.332111023510512
Energy: 2.280417367650517
Energy: 2.393860034499028
Energy: 2.4119568028351566
Energy: 2.2812242486040257
Energy: 2.2804225458332223
Energy: 2.3938812403460146
Energy: 2.2798622725854605
Energy: 2.483624131037074
Energy: 2.2946518249713885
Energy: 2.2812242486040257
Energy: 2.2804225458332223
Energy: 2.3938812403460146
Energy: 2.2798622725854605
Energy: 2.294656476391731
Energy: 2.3953982067182826
Energy: 2.2935131772619304
Energy: 2.3916563873523446
Energy: 2.2933165148593395
Energy: 2.294654796153589
Energy: 2.294656476391731
Energy: 2.3953982067182826
Energy: 2.2935131772619304
Energy: 2.3916563873523446
Energy: 2.3477368068467905
Energy: 2.3954315055982853
Energy: 2.2935158540722624
Energy: 2.3938637116178616
Energy: 2.2804153164117693
Energy: 2.3938454359170644
Energy: 2.3477368068467905
Energy: 2.3954315055982853
Energy: 2.2935158540722624
Energy: 2.3938637116178616

minimum gb energy = 2.2514573701973397 eV
minimum distance =  2.40051857443745 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.2660528361309367
Energy: 2.3811914394432714
Energy: 2.146794527178656
Energy: 2.315214679164839
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Energy: 2.3811904512053905
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Energy: 2.3811914394432714
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Energy: 2.331694440590708
Energy: 2.3498716647703146
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Energy: 2.1825682797853587
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Energy: 2.3498694712546264
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Energy: 2.1676094126644028
Energy: 2.4093845472676936
Energy: 2.172822764941767
Energy: 2.1728210601753433
Energy: 2.1424251307459965
Energy: 2.1676150956560654
Energy: 2.1676094126644028
Energy: 2.4093845472676936
Energy: 2.172822764941767
Energy: 2.1728210601753433
Energy: 2.167611363863792
Energy: 2.2643147593543995
Energy: 2.4319205709483587
Energy: 2.182570356640498
Energy: 2.5075335194963486
Energy: 2.174975826398901
Energy: 2.167611363863792
Energy: 2.2643147593543995
Energy: 2.4319205709483587
Energy: 2.182570356640498
Energy: 2.3887687140800393
Energy: 2.1468016608769664
Energy: 2.2049015468434856
Energy: 2.3498719127251464
Energy: 2.1676064118426814
Energy: 2.1424444805262617
Energy: 2.3887687140800393
Energy: 2.1468016608769664
Energy: 2.2049015468434856
Energy: 2.3498719127251464
Energy: 2.3316944405898363
Energy: 2.1467958908889524
Energy: 2.3811904512053905
Energy: 2.2660528361309367
Energy: 2.3811914394432714
Energy: 2.146794527178656
Energy: 2.3316944405898363
Energy: 2.1467958908889524
Energy: 2.3811904512053905
Energy: 2.2660528361309367

minimum gb energy = 2.1424246146615697 eV
minimum distance =  2.40319826779811 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.398076465314076
Energy: 2.232145674848185
Energy: 2.0117345960500637
Energy: 2.1511430550277346
Energy: 2.011733706600324
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Energy: 2.398076465314076
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Energy: 2.028682765251126
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Energy: 2.028682765251126
Energy: 2.234067809286444
Energy: 2.1717583670439238
Energy: 2.2631486859581673
Energy: 2.028666715159009
Energy: 2.2456670496985978
Energy: 2.011734804527491
Energy: 2.234067809286444
Energy: 2.1717583670439238
Energy: 2.2631486859581673
Energy: 2.028666715159009
Energy: 2.1717778102829084
Energy: 2.1717739306978148
Energy: 2.232145142146275
Energy: 2.0117341654257976
Energy: 2.2340550462424695
Energy: 2.011733795465125
Energy: 2.1717778102829084
Energy: 2.1717739306978148
Energy: 2.232145142146275
Energy: 2.0117341654257976
Energy: 2.0286677966469697
Energy: 2.171768769892741
Energy: 2.2635453426916623
Energy: 2.01173603970352
Energy: 2.228759287082649
Energy: 2.0286670852211213
Energy: 2.0286677966469697
Energy: 2.171768769892741
Energy: 2.2635453426916623
Energy: 2.01173603970352
Energy: 2.289873406706645
Energy: 2.1902625875027546
Energy: 2.190253360468411
Energy: 2.289057850228779
Energy: 2.028687437947276
Energy: 2.0286678822077135
Energy: 2.289873406706645
Energy: 2.1902625875027546
Energy: 2.190253360468411
Energy: 2.289057850228779
Energy: 2.011732371176181
Energy: 2.234058789319285
Energy: 2.171766958862383
Energy: 2.028670511303796
Energy: 2.028665991152635
Energy: 2.2516417805331557
Energy: 2.011732371176181
Energy: 2.234058789319285
Energy: 2.171766958862383
Energy: 2.028670511303796
Energy: 2.0117316872007454
Energy: 2.1717629503138833
Energy: 2.171776435558323
Energy: 2.1717740501379517
Energy: 2.011734817973663
Energy: 2.2635523299618145
Energy: 2.0117316872007454
Energy: 2.1717629503138833
Energy: 2.171776435558323
Energy: 2.1717740501379517
Energy: 2.0286672413305613
Energy: 2.2662098480441437
Energy: 2.171765267816575
Energy: 2.263558793542686
Energy: 2.011737386013869
Energy: 2.245667445932831
Energy: 2.0286672413305613
Energy: 2.2662098480441437
Energy: 2.171765267816575
Energy: 2.263558793542686
Energy: 2.0286649665101866
Energy: 2.2898054723414747
Energy: 2.1902714204402205
Energy: 2.1845831569928573
Energy: 2.2898656266095143
Energy: 2.0286680486656534
Energy: 2.0286649665101866
Energy: 2.2898054723414747
Energy: 2.1902714204402205
Energy: 2.1845831569928573
Energy: 2.2510918699923423
Energy: 2.0117301729884427
Energy: 2.1845851633080984
Energy: 2.1117947697371133
Energy: 2.0286688949426757
Energy: 2.028676034392661
Energy: 2.2510918699923423
Energy: 2.0117301729884427
Energy: 2.1845851633080984
Energy: 2.1117947697371133
Energy: 2.40221971679302
Energy: 2.0117350094302546
Energy: 2.1717861591629193
Energy: 2.1717813147500573
Energy: 2.216923356955413
Energy: 2.267194560282255
Energy: 2.40221971679302
Energy: 2.0117350094302546
Energy: 2.1717861591629193
Energy: 2.1717813147500573
Energy: 2.245682332513628
Energy: 2.0286701632980515
Energy: 2.2666363733821893
Energy: 2.1717625289558757
Energy: 2.346547973999878
Energy: 2.0117490001527543
Energy: 2.245682332513628
Energy: 2.0286701632980515
Energy: 2.2666363733821893
Energy: 2.1717625289558757

minimum gb energy = 1.9966211239905345 eV
minimum distance =  2.48174740315275 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 2.2613274324151167
Energy: 2.082674396985812
Energy: 2.5336251132717957
Energy: 2.573393781656281
Energy: 2.5336280714150003
Energy: 2.0199521496916018
Energy: 2.2613274324151167
Energy: 2.082674396985812
Energy: 2.5336251132717957
Energy: 2.6373375438719115
Energy: 2.577638705360667
Energy: 2.3276240005240005
Energy: 2.0269153534100073
Energy: 2.082656056350207
Energy: 2.029111886845034
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Energy: 2.082656056350207
Energy: 2.076145971312828
Energy: 2.0291131402243208
Energy: 2.6371717825057353
Energy: 2.5336226070427417
Energy: 2.0291235300251595
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Energy: 2.076145971312828
Energy: 2.0291131402243208
Energy: 2.6371717825057353
Energy: 2.5336226070427417
Energy: 2.476581390537847
Energy: 2.029126898167042
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Energy: 2.0907298043689173
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Energy: 2.029126898167042
Energy: 2.0826642937925586
Energy: 2.0269667826933113
Energy: 2.0608546542534185
Energy: 2.02691553951324
Energy: 2.082682908360625
Energy: 2.5085818308827204
Energy: 2.558637687221794
Energy: 1.9349621772993095
Energy: 2.0608546542534185
Energy: 2.02691553951324
Energy: 2.082682908360625
Energy: 2.5085818308827204
Energy: 2.0037812821493204
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Energy: 2.177018342678556
Energy: 2.0291260950993277
Energy: 2.224894976506464
Energy: 2.395333063539642
Energy: 2.0456754946869893
Energy: 2.5336292495727464
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Energy: 2.0291260950993277
Energy: 2.0291166839407944
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Energy: 2.0456615642302487
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Energy: 2.0291166839407944
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Energy: 2.0456615642302487
Energy: 2.508560873123152
Energy: 2.0826651565203123
Energy: 2.0269156564779944
Energy: 2.022612432663088
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Energy: 2.508560873123152
Energy: 2.0826651565203123
Energy: 2.0269156564779944
Energy: 2.022612432663088
Energy: 2.026951958021691
Energy: 2.0826684393234904
Energy: 2.029127936326482
Energy: 2.462144930304159
Energy: 2.0072804409920346
Energy: 2.0608802998460987
Energy: 2.026951958021691
Energy: 2.0826684393234904
Energy: 2.029127936326482
Energy: 2.462144930304159
Energy: 2.533624676789131
Energy: 2.629268991201903
Energy: 2.0291136505631973
Energy: 2.2248899761361636
Energy: 2.0761292593404517
Energy: 2.029124660271523
Energy: 2.533624676789131
Energy: 2.629268991201903
Energy: 2.0291136505631973
Energy: 2.2248899761361636
Energy: 2.082653429577517
Energy: 2.0269164320874613
Energy: 2.349249281949408
Energy: 2.508585730632745
Energy: 2.25662696465018
Energy: 2.029112147266124
Energy: 2.082653429577517
Energy: 2.0269164320874613
Energy: 2.349249281949408
Energy: 2.508585730632745
Energy: 2.726684614960492
Energy: 2.533628917364852
Energy: 2.136259741217037
Energy: 2.0939317642648936
Energy: 2.025159123724209
Energy: 2.5336251132717957
Energy: 2.7048272346643927
Energy: 2.533628917364852
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Energy: 2.0939317642648936
Energy: 2.082656056350207
Energy: 2.029111886845034
Energy: 2.25662696465018
Energy: 2.5085624656404497
Energy: 2.3276240005240005
Energy: 2.0269153534100073
Energy: 2.082656056350207
Energy: 2.029111886845034
Energy: 2.25662696465018
Energy: 2.5085624656404497
Energy: 2.5336294665854653
Energy: 2.0291235300251595
Energy: 2.1696324871706727
Energy: 2.076145971312828
Energy: 2.0291113979274926
Energy: 2.629268991201903
Energy: 2.5336294665854653
Energy: 2.0291235300251595
Energy: 2.1696324871706727
Energy: 2.076145971312828
Energy: 2.0269574699737385
Energy: 2.02261750279208
Energy: 2.0072844357715867
Energy: 2.462089343526143
Energy: 2.029125928435174
Energy: 2.082663763193653
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Energy: 2.02261750279208
Energy: 2.0072844357715867
Energy: 2.462089343526143
Energy: 2.5085818308827204
Energy: 2.4850750337360155
Energy: 2.0072775039201343
Energy: 2.0608546542534185
Energy: 2.02691553951324
Energy: 2.082682908360625
Energy: 2.5085818308827204
Energy: 2.4850750337360155
Energy: 2.0072775039201343
Energy: 2.0608546542534185
Energy: 2.0291260950993277
Energy: 2.2249011433072123
Energy: 2.4198996951156615
Energy: 2.219221894045653
Energy: 2.5336292495727464
Energy: 2.229803170411117
Energy: 2.0291260950993277
Energy: 2.2249011433072123
Energy: 2.4198996951156615
Energy: 2.0037814061638013
Energy: 2.029109317391919
Energy: 2.395334474361571
Energy: 2.076140617410746
Energy: 2.029124871679292
Energy: 2.126236171796452
Energy: 2.5336291976593923
Energy: 2.0456615642302487
Energy: 2.395334474361571
Energy: 2.076140617410746
Energy: 2.029124871679292
Energy: 2.090730384701762
Energy: 1.9349625812109092
Energy: 2.4942776200387367
Energy: 2.508560873123152
Energy: 2.082672629192985
Energy: 2.0269165163603358
Energy: 2.090730384701762
Energy: 1.9349625812109092
Energy: 2.4942776200387367
Energy: 2.508560873123152
Energy: 2.4766467871789066
Energy: 1.9349681070179705
Energy: 2.0608802998460987
Energy: 2.026951958021691
Energy: 2.0826684393234904
Energy: 2.029127936326482
Energy: 2.4766467871785043
Energy: 1.9349681070179705
Energy: 2.0608802998460987
Energy: 2.026951958021691
Energy: 2.07612937261073
Energy: 2.0761292593404517
Energy: 2.0291251881378356
Energy: 2.533624676789131
Energy: 2.6371717825057353
Energy: 2.0291136505631973
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Energy: 2.0761292593404517
Energy: 2.0291251881378356
Energy: 2.533624676789131
Energy: 2.5776360118994965
Energy: 2.2284083903546446
Energy: 2.029111934619099
Energy: 2.0826554563543245
Energy: 2.026916193943196
Energy: 2.3626608763124093
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Energy: 2.2284083903546446
Energy: 2.029111934619099
Energy: 2.0826554563543245
Energy: 2.2613274324151167
Energy: 2.082674396985812
Energy: 2.5336251132717957
Energy: 2.6724427065473333
Energy: 2.5336280714150003
Energy: 1.9306087927603832
Energy: 2.2613274324151167
Energy: 2.082674396985812
Energy: 2.5336251132717957
Energy: 2.6724427065477343
Energy: 2.577638705360667
Energy: 2.3276240005240005
Energy: 2.0269153534100073
Energy: 2.082656056350207
Energy: 2.029111886845034
Energy: 2.2284083903546446
Energy: 2.577638705360667
Energy: 2.3276240005240005
Energy: 2.0269153534100073
Energy: 2.082656056350207
Energy: 2.076145971312828
Energy: 2.0291131402243208
Energy: 2.6371717825057353
Energy: 2.5336226070427417
Energy: 2.0291235300251595
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Energy: 2.076145971312828
Energy: 2.0291131402243208
Energy: 2.6371717825057353
Energy: 2.5336226070427417
Energy: 2.476581390537847
Energy: 2.029126898167042
Energy: 2.0826642937925586
Energy: 2.0269667826933113
Energy: 2.0907298043689173
Energy: 1.9349683334212466
Energy: 2.476581390537847
Energy: 2.029126898167042
Energy: 2.0826642937925586
Energy: 2.0269667826933113
Energy: 2.0608546542534185
Energy: 2.02691553951324
Energy: 2.082682908360625
Energy: 2.5085818308827204
Energy: 2.558637687221794
Energy: 1.9349621772993095
Energy: 2.0608546542534185
Energy: 2.02691553951324
Energy: 2.082682908360625
Energy: 2.5085818308827204
Energy: 2.219221894045653
Energy: 2.5336292495727464
Energy: 2.140928654903717
Energy: 2.0291260950993277
Energy: 2.224894976506464
Energy: 2.395333063539642
Energy: 2.219221894045653
Energy: 2.5336292495727464
Energy: 2.140928654903717
Energy: 2.0291260950993277
Energy: 2.0291166839407944
Energy: 2.3235307930928575
Energy: 2.533626711614863
Energy: 2.029109317391919
Energy: 2.4552204098148684
Energy: 2.076140617410746
Energy: 2.0291166839407944
Energy: 2.3235307930928575
Energy: 2.533626711614863
Energy: 2.029109317391919
Energy: 2.508560873123152
Energy: 2.0826651565203123
Energy: 2.0269156564779944
Energy: 2.022612432663088
Energy: 2.0072763715642017
Energy: 2.545313755566519
Energy: 2.508560873123152
Energy: 2.0826651565203123
Energy: 2.0269156564779944
Energy: 2.022612432663088
Energy: 2.026951958021691
Energy: 2.0826684393234904
Energy: 2.029127936326482
Energy: 2.4621449303033556
Energy: 2.0072804409920346
Energy: 2.0608802998460987
Energy: 2.026951958021691
Energy: 2.0826684393234904
Energy: 2.029127936326482
Energy: 2.462144930302552
Energy: 2.533624676789131
Energy: 2.629268991201903
Energy: 2.0291136505631973
Energy: 2.2248899761361636
Energy: 2.0761292593404517
Energy: 2.029124660271523
Energy: 2.533624676789131
Energy: 2.629268991201903
Energy: 2.0291136505631973
Energy: 2.2248899761361636
Energy: 2.082653429577517
Energy: 2.0269164320874613
Energy: 2.34924928194981
Energy: 2.508585730632745
Energy: 2.25662696465018
Energy: 2.029112147266124
Energy: 2.082653429577517
Energy: 2.0269164320874613
Energy: 2.34924928194981
Energy: 2.508585730632745

minimum gb energy = 1.9306087927603832 eV
minimum distance =  2.39051094267869 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.3743327837647836
Energy: 2.133556089583807
Energy: 2.133549583891098
Energy: 2.8375602407344167
Energy: 2.1335489841823874
Energy: 2.194764141744683
Energy: 2.3743327837647836
Energy: 2.133556089583807
Energy: 2.133549583891098
Energy: 2.586996381078596
Energy: 2.4127227808142275
Energy: 2.4839354626250154
Energy: 2.132910485438062
Energy: 2.2452300133473493
Energy: 2.124858668114563
Energy: 2.16634290944403
Energy: 2.4127227808142275
Energy: 2.4839354626250154
Energy: 2.132910485438062
Energy: 2.2452300133473493
Energy: 2.2130297371389855
Energy: 2.10371650894755
Energy: 2.166345811650396
Energy: 2.3443856222959134
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Energy: 2.192205417202242
Energy: 2.2130297371389855
Energy: 2.10371650894755
Energy: 2.166345811650396
Energy: 2.3443856222959134
Energy: 2.2508495864802924
Energy: 2.1037176338719186
Energy: 2.2270591858184425
Energy: 2.160400738158158
Energy: 2.227071571598179
Energy: 2.4257146968299184
Energy: 2.2508495864802924
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Energy: 2.2270591858184425
Energy: 2.160400738158158
Energy: 2.227062286991079
Energy: 2.103718236465411
Energy: 2.2849120272450336
Energy: 2.3824524690574993
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Energy: 2.1603985706304645
Energy: 2.227062286991079
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Energy: 2.2849120272450336
Energy: 2.3824524690574993
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Energy: 2.1037178211293743
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Energy: 2.1248622581004035
Energy: 2.3824545110806157
Energy: 2.539631964005833
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Energy: 2.322310725359671
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Energy: 2.5646808075480365
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Energy: 2.1922145183137727
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Energy: 2.1037159301485455
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Energy: 2.344387866249414
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Energy: 2.146580268885255
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Energy: 2.4871226380363134
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Energy: 2.1037184801491433
Energy: 2.2270590493146316
Energy: 2.1604043153420496
Energy: 2.2270662500901874
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Energy: 2.3235087924296707
Energy: 2.3824540532838556
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Energy: 2.2270662500901874
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Energy: 2.1921994427129077
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Energy: 2.124858284101235
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Energy: 2.132911899955853
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Energy: 2.4728898791900695
Energy: 2.1335491058236986
Energy: 2.111056441817057
Energy: 2.1964963577101955
Energy: 2.355715500557774
Energy: 2.1329056282942047
Energy: 2.4728898791900695
Energy: 2.1335491058236986
Energy: 2.111056441817057
Energy: 2.1329112009524165
Energy: 2.2452298609915706
Energy: 2.1248581442168057
Energy: 2.19220679546959
Energy: 2.0997958220682884
Energy: 2.5034294315171373
Energy: 2.1329112009524165
Energy: 2.2452298609915706
Energy: 2.1248581442168057
Energy: 2.19220679546959
Energy: 2.1935957453815433
Energy: 2.3443861685292315
Energy: 2.124861833988799
Energy: 2.1922102385584585
Energy: 2.209403462651052
Energy: 2.1037166718242855
Energy: 2.1935957453815433
Energy: 2.3443861685314364
Energy: 2.124861833988799
Energy: 2.1922102385584585
Energy: 2.227059279733653
Energy: 2.298265601416811
Energy: 2.1488684144221075
Energy: 2.160393943270931
Energy: 2.4871309638993115
Energy: 2.103719543477092
Energy: 2.227059279733653
Energy: 2.298265601416811
Energy: 2.1488684144221075
Energy: 2.160393943270931
Energy: 2.153510398261034
Energy: 2.382454342731843
Energy: 2.336996187031615
Energy: 2.160404905808018
Energy: 2.1786852460049646
Energy: 2.1037171934984165
Energy: 2.153510398261034
Energy: 2.382454342731843
Energy: 2.336996187031615
Energy: 2.160404905808018
Energy: 2.271896272440115
Energy: 2.192216209083148
Energy: 2.124860191057459
Energy: 2.124859597224102
Energy: 2.539633586648936
Energy: 2.1037184938502027
Energy: 2.271896272440115
Energy: 2.192216209083148
Energy: 2.124860191057459
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Energy: 2.1398953983848403
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Energy: 2.132906750230207
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Energy: 2.173848524076636
Energy: 2.1921983926937667
Energy: 2.225880535497158
Energy: 2.1603979587545044
Energy: 2.081551540516077
Energy: 2.1922021045368663
Energy: 2.153520411323218
Energy: 2.103716633850501
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Energy: 2.2270615594086896
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Energy: 2.1488600167679217
Energy: 2.160402052433606

minimum gb energy = 2.081551540516077 eV
minimum distance =  2.43577189161503 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 2.120859072252961
Energy: 3.0862876116400204
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Energy: 2.1208881040011014
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Energy: 2.120855424324486
Energy: 2.0899537394522265
Energy: 2.2852296802357936
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Energy: 2.120860391373758
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Energy: 2.393301350369462
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Energy: 2.1209112811723823
Energy: 2.120860391373758
Energy: 2.120861651876877
Energy: 2.1208575354066657
Energy: 2.4348530987497154

minimum gb energy = 2.0895235270786574 eV
minimum distance =  2.37920492123453 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 2.3204627265086186 eV
minimum distance =  2.41906174794653 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.3499538397108615
Energy: 2.431339293789822
Energy: 2.3708255906795306
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Energy: 2.4535684925962635
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Energy: 2.3522305351540416
Energy: 2.414469674186768
Energy: 2.639143434097365
Energy: 2.3668876186354035
Energy: 2.3454022007433033
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Energy: 2.3646923471128467
Energy: 2.414469674186768
Energy: 2.639143434097365
Energy: 2.3668876186354035
Energy: 2.3454022007433033
Energy: 2.414461576899416
Energy: 2.4144789589493354
Energy: 2.3522130781244983
Energy: 2.3826139606748664
Energy: 2.479999268558426
Energy: 2.4514522147139237
Energy: 2.414461576899416
Energy: 2.4144789589493354
Energy: 2.3522130781244983
Energy: 2.3826139606748664
Energy: 2.3499517108289636
Energy: 2.3921838095785293
Energy: 2.433998138720982
Energy: 2.461202207941107
Energy: 2.374613154290437
Energy: 2.4241742400484507
Energy: 2.3499517108289636
Energy: 2.3921838095785293
Energy: 2.433998138720982
Energy: 2.461202207941107
Energy: 2.3499546519324195
Energy: 2.501474501359675
Energy: 2.5014746540091943
Energy: 2.349954742957314
Energy: 2.4003388359658016
Energy: 2.4003406363847333
Energy: 2.3499546519324195
Energy: 2.501474501359675
Energy: 2.5014746540091943
Energy: 2.349954742957314
Energy: 2.46119720426111
Energy: 2.4339974519651433
Energy: 2.3921855350418677
Energy: 2.34995189688649
Energy: 2.4241714788745243
Energy: 2.374611521438944
Energy: 2.461197204260451
Energy: 2.4339974519651433
Energy: 2.3921855350418677
Energy: 2.34995189688649
Energy: 2.382621427216601
Energy: 2.3522128073021804
Energy: 2.414477572131409
Energy: 2.414461604754293
Energy: 2.4514513211824664
Energy: 2.47999835465279
Energy: 2.382621427216601
Energy: 2.3522128073021804
Energy: 2.414477572131409
Energy: 2.414461604754293
Energy: 2.345402089250656
Energy: 2.3668875942386856
Energy: 2.639143434097365
Energy: 2.414469988071144
Energy: 2.364692356669039
Energy: 2.431289676651352
Energy: 2.345402089250656
Energy: 2.3668875942386856
Energy: 2.639143434097365
Energy: 2.414469988071144
Energy: 2.3522286447907645
Energy: 2.371870478150549
Energy: 2.3538722817090183
Energy: 2.4750648138078803
Energy: 2.3499567311478846
Energy: 2.3646970572691335
Energy: 2.3522286447907645
Energy: 2.3718704781492304
Energy: 2.3538722817090183
Energy: 2.4750648138075513

minimum gb energy = 2.3450142313232 eV
minimum distance =  2.35362630498209 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 2.124907158517435
Energy: 2.1248977219347287
Energy: 2.4727220093184847
Energy: 2.124897044825374
Energy: 2.235605181571815
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Energy: 2.358430394141563
Energy: 2.1248998794445666
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Energy: 2.220093380025712
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Energy: 2.143536693543473
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Energy: 2.124899383502505
Energy: 2.124907522565092
Energy: 2.9499205951908527
Energy: 2.598405967466199
Energy: 2.1248984503051482
Energy: 3.14359266652539
Energy: 2.124899383502505
Energy: 2.124907522565092
Energy: 2.9499205951908527
Energy: 2.598406142804185
Energy: 2.2160412314821922
Energy: 2.1249071585156476
Energy: 2.1248977219347287
Energy: 2.2861277742779595
Energy: 2.124897044825374
Energy: 2.1166979695725248
Energy: 2.2160412314821922
Energy: 2.1249071585257746
Energy: 2.1248977219347287
Energy: 2.286096867821805
Energy: 2.1248998794445666
Energy: 2.6478395633113756
Energy: 2.124898485226263
Energy: 2.1166979391028615
Energy: 2.9499242409245867
Energy: 2.1249092400710734
Energy: 2.1248998794445666
Energy: 2.6478395633125666
Energy: 2.124898485226263
Energy: 2.1166979391028615
Energy: 2.116701747733545
Energy: 2.1435360984458818
Energy: 2.864751902546207
Energy: 2.143535455175146
Energy: 2.124907764918791
Energy: 2.2200931090684892
Energy: 2.116701747733545
Energy: 2.1435360984446903
Energy: 2.86475150152495
Energy: 2.143535455175146
Energy: 2.864748182597939
Energy: 2.1435362243335154
Energy: 2.1167019254610198
Energy: 2.220093380025712
Energy: 2.124904587548903
Energy: 2.143536693543473
Energy: 2.864747941308323
Energy: 2.1435362245079745
Energy: 2.1167019254610198
Energy: 2.220093380025712
Energy: 2.1248984503051482
Energy: 3.1435926665295595
Energy: 2.124899383502505
Energy: 2.124907522565092
Energy: 2.9499205951908527
Energy: 2.5984060525033605
Energy: 2.1248984503051482
Energy: 3.1435926665301555
Energy: 2.124899383502505
Energy: 2.124907522565092
Energy: 2.124897044825374
Energy: 2.1166979228254323
Energy: 2.2160412314821922
Energy: 2.124907158598423
Energy: 2.1248977219347287
Energy: 2.2860991918738707
Energy: 2.124897044825374
Energy: 2.1166979968154958
Energy: 2.2160412314821922
Energy: 2.1249071585436186
Energy: 2.9499242409245867
Energy: 2.1249092400710734
Energy: 2.1248998794445666
Energy: 2.647839563299461
Energy: 2.124898485226263
Energy: 2.1166979391028615
Energy: 2.9499242409245867
Energy: 2.1249092400710734
Energy: 2.1248998794445666
Energy: 2.647839563299461

minimum gb energy = 2.1166979228254323 eV
minimum distance =  2.39773126281019 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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Energy: 2.345124298321403
Energy: 2.2876543788285892
Energy: 3.0787603949230693
Energy: 2.287659493001609
Energy: 2.3395063547413812
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Energy: 2.345124298321403
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Energy: 2.332048584345514
Energy: 2.424127640344552
Energy: 2.2914202982583864
Energy: 2.3284506489572707
Energy: 2.33728316271219
Energy: 2.3440682387940535
Energy: 2.332048584345514
Energy: 2.424127640344552
Energy: 2.2914202982583864
Energy: 2.3284506489572707
Energy: 2.3320437565444063
Energy: 2.3971367364745304
Energy: 2.287652699879807
Energy: 2.315776860299052
Energy: 2.31953407359455
Energy: 2.366876138302708
Energy: 2.3320437565444063
Energy: 2.397136645128834
Energy: 2.287652699879807
Energy: 2.315776860299052
Energy: 2.4432699259956574
Energy: 2.3621277305967814
Energy: 2.342647365994974
Energy: 2.351363537884917
Energy: 2.328433746128433
Energy: 2.2932227081539267
Energy: 2.4432699259956574
Energy: 2.3621277305967814
Energy: 2.342647365994974
Energy: 2.351363537884917
Energy: 2.4119325171779455
Energy: 2.3321726573402826
Energy: 2.3092551539514714
Energy: 2.2941591510375994
Energy: 2.3351396755635405
Energy: 2.2932275719663813
Energy: 2.4119325171779455
Energy: 2.3321726573402826
Energy: 2.3092551539514714
Energy: 2.2941591510375994
Energy: 2.328275133498289
Energy: 2.3354301815847114
Energy: 2.5077076617966596
Energy: 2.299140628510072
Energy: 2.302956259307991
Energy: 2.542305099731821
Energy: 2.328275133498289
Energy: 2.3354301815847114
Energy: 2.5077076617966596
Energy: 2.299140628510072
Energy: 2.31438528477531
Energy: 2.288954889686538
Energy: 2.304107997810442
Energy: 2.309699348325217
Energy: 2.2905426594127434
Energy: 2.3114235029305314
Energy: 2.31438528477531
Energy: 2.288954889686538
Energy: 2.304107997810442
Energy: 2.309699348325217
Energy: 2.3375442161107998
Energy: 2.470754040402716
Energy: 2.3032989728557487
Energy: 2.392230998916816
Energy: 2.321713894894793
Energy: 2.3003453635758753
Energy: 2.3375442161107998
Energy: 2.470754040402716
Energy: 2.3032989728557487
Energy: 2.392230998916816
Energy: 2.29840751749391
Energy: 2.3490284818794835
Energy: 2.3922967396844883
Energy: 2.2890224052484687
Energy: 2.3310168518028718
Energy: 2.291826162158045
Energy: 2.29840751749391
Energy: 2.3490284818794835
Energy: 2.3922967396574846
Energy: 2.2890224052484687
Energy: 2.3945773992541266
Energy: 2.3143008741553666
Energy: 2.3369994750140815
Energy: 2.291801703533128
Energy: 2.300356971035629
Energy: 2.329812963310008
Energy: 2.3945773992541266
Energy: 2.3143008741553666
Energy: 2.33699947507884
Energy: 2.291801703533128
Energy: 2.291799269076222
Energy: 2.3537770703850702
Energy: 2.3730130101667926
Energy: 2.3251838092193893
Energy: 2.366594034315768
Energy: 2.3301615610982385
Energy: 2.291799269076222
Energy: 2.3537770703823706
Energy: 2.3730130101667926
Energy: 2.3251838092193893
Energy: 2.2890408651751537
Energy: 2.4029323668669633
Energy: 2.3490339337963926
Energy: 2.3086647234762685
Energy: 2.2918227342376283
Energy: 2.3408900530087973
Energy: 2.2890408651751537
Energy: 2.4029323668669633
Energy: 2.3490339337963926
Energy: 2.3086647234762685
Energy: 2.463304431176536
Energy: 2.3032650669913677
Energy: 2.560557808596317
Energy: 2.538157156484802
Energy: 2.2901225820549636
Energy: 2.3217096072486196
Energy: 2.463304431176536
Energy: 2.3032650669913677
Energy: 2.560557808596317
Energy: 2.538157156484802
Energy: 2.3062827411598814
Energy: 2.3041164510656307
Energy: 2.298116297568136
Energy: 2.314379995336183
Energy: 2.300767876416036
Energy: 2.290545070241731
Energy: 2.3062827411598814
Energy: 2.3041164510656307
Energy: 2.2981162975708367
Energy: 2.314379995336183
Energy: 2.2991251859678314
Energy: 2.4530230300526945
Energy: 2.3806179911505603
Energy: 2.324617860650991
Energy: 2.500967344680645
Energy: 2.312923340187476
Energy: 2.2991251859678314
Energy: 2.4530230300526945
Energy: 2.3806179911505603
Energy: 2.324617860650991
Energy: 2.2941179265283274
Energy: 2.309264784576109
Energy: 2.332162277966127
Energy: 2.4050888188590327
Energy: 2.298892915199605
Energy: 2.3326860713970343
Energy: 2.2941179265283274
Energy: 2.309264784576109
Energy: 2.332162277966127
Energy: 2.4050888188617328
Energy: 2.3513629644609133
Energy: 2.3400491556195413
Energy: 2.335592600200433
Energy: 2.373727096820435
Energy: 2.2932245855406315
Energy: 2.314983494861736
Energy: 2.3513629644609133
Energy: 2.3400491556195413
Energy: 2.335592600200433
Energy: 2.373727096817734
Energy: 2.3157869571529055
Energy: 2.287652393718085
Energy: 2.541530332115344
Energy: 2.347195346613118
Energy: 2.4037350519763216
Energy: 2.3526644981000686
Energy: 2.3157869571529055
Energy: 2.287652393718085
Energy: 2.541530332115344
Energy: 2.347195346613118

minimum gb energy = 2.286447814625238 eV
minimum distance =  2.3921854572287 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.3314411075547223
Energy: 2.3879329084107863
Energy: 2.262038211989407
Energy: 2.4889763239383695
Energy: 2.262039204618612
Energy: 2.3337106817007487
Energy: 2.3314411075547223
Energy: 2.3879329084107863
Energy: 2.262038211989407
Energy: 2.3821606643600632
Energy: 2.3090966173277807
Energy: 2.7999152285424462
Energy: 2.262040841603245
Energy: 2.3356964845357506
Energy: 2.562556522980518
Energy: 2.339739384905942
Energy: 2.3090966173277807
Energy: 2.7999152285424462
Energy: 2.262040841603245
Energy: 2.3356964845357506
Energy: 2.317837434453969
Energy: 2.2349412672581197
Energy: 2.3356982768166663
Energy: 2.2349398591022105
Energy: 2.2620450134529615
Energy: 2.2784906283489472
Energy: 2.317837434453969
Energy: 2.2349412672581197
Energy: 2.3356982778049047
Energy: 2.2349398591022105
Energy: 2.5655669381243826
Energy: 2.2349469801224116
Energy: 2.262049354560307
Energy: 2.335694426840323
Energy: 2.2620458201502287
Energy: 2.335688573840709
Energy: 2.5655669381243826
Energy: 2.2349469801224116
Energy: 2.262049354560307
Energy: 2.335694426840323
Energy: 2.3090902378671547
Energy: 2.343828952068113
Energy: 2.26203530706879
Energy: 2.4140485636391076
Energy: 2.3107281468313303
Energy: 2.321445891389449
Energy: 2.3090902378671547
Energy: 2.343828952068113
Energy: 2.26203530706879
Energy: 2.4140485636391076
Energy: 2.3090933420143323
Energy: 2.354827963824851
Energy: 2.281548328403343
Energy: 2.420706350279089
Energy: 2.2815477712663395
Energy: 2.339720058868254
Energy: 2.3090933420143323
Energy: 2.354827963824851
Energy: 2.281548328403343
Energy: 2.420706350279089
Energy: 2.566061282385059
Energy: 2.234938946605537
Energy: 2.3668848019251514
Energy: 2.337915753781504
Energy: 2.262038043985542
Energy: 2.234943717041564
Energy: 2.566061282385059
Energy: 2.234938946605537
Energy: 2.3668848019251514
Energy: 2.337915753781504
Energy: 2.317803319077122
Energy: 2.234946252460284
Energy: 2.2620423965073537
Energy: 2.335689455131411
Energy: 2.33570978366307
Energy: 2.2349552191296223
Energy: 2.317803319077122
Energy: 2.234946252460284
Energy: 2.2620423965073537
Energy: 2.335689455131411
Energy: 2.309109993128306
Energy: 2.339736080866463
Energy: 2.7079894356047487
Energy: 2.335691895618485
Energy: 2.2620384250878365
Energy: 2.7999322898279004
Energy: 2.309109993128306
Energy: 2.339736080866463
Energy: 2.7079894356047487
Energy: 2.335691895618485
Energy: 2.2946208000804442
Energy: 2.326096013448165
Energy: 2.281545398773593
Energy: 2.420688642563399
Energy: 2.262083696705781
Energy: 2.3878932211516335
Energy: 2.2946208000804442
Energy: 2.326096013448165
Energy: 2.281545398773593
Energy: 2.420688642563399
Energy: 2.557751814510664
Energy: 2.335704356710784
Energy: 2.2620382295074286
Energy: 2.3356879676778304
Energy: 2.4389562310690542
Energy: 2.2349455593189305
Energy: 2.557751814510664
Energy: 2.335704356711768
Energy: 2.2620382295074286
Energy: 2.3356879676778304
Energy: 2.468864640460322
Energy: 2.234948408049123
Energy: 2.5458614999190456
Energy: 2.234933752538224
Energy: 2.54586448461625
Energy: 2.234948715510806
Energy: 2.468864640460322
Energy: 2.234948408049123
Energy: 2.5458614999200293
Energy: 2.234933752538224
Energy: 2.5577557697603224
Energy: 2.2349448940520227
Energy: 2.4389562310690542
Energy: 2.33568824798979
Energy: 2.262037530809269
Energy: 2.335696780816971
Energy: 2.5577557697603224
Energy: 2.2349448940520227
Energy: 2.4389562310690542
Energy: 2.33568824798979
Energy: 2.294612744221335
Energy: 2.3878794908194125
Energy: 2.2620837725283867
Energy: 2.4207054649862014
Energy: 2.2815467236335794
Energy: 2.326102403980101
Energy: 2.294612744221335
Energy: 2.3878794908194125
Energy: 2.2620837725283867
Energy: 2.4207054649862014

minimum gb energy = 2.234933752538224 eV
minimum distance =  2.41919809585001 Angstroms
sigma value = 33