Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.140962809324265
cohesive_energy=6.754333578238715
mass=95.95
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: 0.0 eV

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

Energy: 0.017310017986037336
Energy: 0.017464473674427557
Energy: 0.17529005283540544
Energy: 0.017464473674012142
Energy: 0.017310017986037336
Energy: 0.017464473674842967
Energy: 0.017464473674427557
Energy: 5.267799357911544
Energy: 0.017464473674427557
Energy: 5.55147379104867
Energy: 0.017464473674427557
Energy: 4.745574768752399
Energy: 0.17529005283702098
Energy: 0.017464473674427557
Energy: 0.017310017986452746
Energy: 0.017464473674012142
Energy: 0.17529005283499005
Energy: 0.017464473674427557
Energy: 0.017464473674842967
Energy: 5.551473790973941
Energy: 0.017464473674427557
Energy: 5.551473791967421
Energy: 0.017464473674842967
Energy: 5.267799357910298
Energy: 0.017310017986037336
Energy: 0.017464473674427557
Energy: 0.17529005283743637
Energy: 0.017464473674012142
Energy: 0.017310017986037336
Energy: 0.017464473674427557
Energy: 0.017464473674842967
Energy: 4.745574768753599
Energy: 0.017464473674427557
Energy: 5.267799357908683
Energy: 0.017464473674842967
Energy: 4.745574768749953

minimum gb energy = 0.017310017986037336 eV
minimum distance =  2.6459317915726 Angstroms
sigma value = 1


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

Energy: 2.8436774433191414
Energy: 2.3736411032560008
Energy: 2.6044616038831045
Energy: 2.373641103254001
Energy: 2.843677443320141
Energy: 2.373641103254001
Energy: 2.759463946959166
Energy: 2.2109203037812164
Energy: 2.5488637523137134
Energy: 2.2109203037792167
Energy: 2.7594639469571662
Energy: 2.2109203037792167
Energy: 2.571684022065431
Energy: 2.2108055208745965
Energy: 2.8543568106184325
Energy: 2.2108055208725963
Energy: 2.5716840220694306
Energy: 2.2108055208715967
Energy: 2.568545139532173
Energy: 2.1486968574151817
Energy: 2.547883575015904
Energy: 2.1486968574151817
Energy: 2.568546402277262
Energy: 2.1486968574151817
Energy: 2.8777021248619086
Energy: 2.373107157950297
Energy: 2.7146827356628696
Energy: 2.373107157950297
Energy: 2.8777021248589087
Energy: 2.373107157949297
Energy: 2.8572192910271803
Energy: 2.2117739385502304
Energy: 2.5702189033356877
Energy: 2.2117739385492303
Energy: 2.85721929102418
Energy: 2.2117739385482307
Energy: 2.854539710130746
Energy: 2.211638740378377
Energy: 2.5703463174643644
Energy: 2.2116387403793767
Energy: 2.854539710132746
Energy: 2.2116387403793767
Energy: 2.9354819392653257
Energy: 2.3729705234847907
Energy: 2.55112637512422
Energy: 2.372970523486791
Energy: 2.9354819392653257
Energy: 2.372970523486791
Energy: 2.724954796666465
Energy: 2.1492346825594937
Energy: 2.5467742077149165
Energy: 2.1492346825624935
Energy: 2.7249258436264623
Energy: 2.1492346825624935
Energy: 2.858910102968892
Energy: 2.210569962519931
Energy: 2.5697116412644934
Energy: 2.210569962516931
Energy: 2.8589101029708917
Energy: 2.210569962516931
Energy: 2.5711789880815212
Energy: 2.0055536623192243
Energy: 2.5492970798808385
Energy: 2.0055536623172245
Energy: 2.571178988014571
Energy: 2.0055536623172245
Energy: 2.548647959623763
Energy: 2.3734211648568513
Energy: 2.5486513526129078
Energy: 2.373421164854851
Energy: 2.5486479596257627
Energy: 2.373421164854851
Energy: 2.549217842634741
Energy: 2.0055536623182246
Energy: 2.5787366565989487
Energy: 2.0055536623182246
Energy: 2.549217842632741
Energy: 2.0055536623182246
Energy: 2.569968252425832
Energy: 2.2106034769841094
Energy: 2.85896746906584
Energy: 2.2106034769851095
Energy: 2.5699682524208325
Energy: 2.2106034769851095
Energy: 2.5468390145210313
Energy: 2.1492339364780806
Energy: 2.7250095197797433
Energy: 2.1492339364780806
Energy: 2.5468390145210313
Energy: 2.149233936479081
Energy: 2.5510876568717755
Energy: 2.3730181735957823
Energy: 2.935323286104207
Energy: 2.3730181735957823
Energy: 2.5510876568677756
Energy: 2.3730181735957823
Energy: 2.5703130549886604
Energy: 2.2117283690270133
Energy: 2.85432986558434
Energy: 2.2117283690270133
Energy: 2.570313054958662
Energy: 2.2117283690260137
Energy: 2.5704775680552574
Energy: 2.211779808991459
Energy: 2.857257295668054
Energy: 2.2117798089894594
Energy: 2.570477568052257
Energy: 2.2117798089894594
Energy: 2.877968922904709
Energy: 2.3731588145228506
Energy: 2.8776772870642913
Energy: 2.3731588145218505
Energy: 2.877968922903709
Energy: 2.3731588145218505
Energy: 2.5479103349591914
Energy: 2.1486856121878506
Energy: 2.568577622378179
Energy: 2.1486856121878506
Energy: 2.5479103349581913
Energy: 2.1486856121878506
Energy: 2.85428741291482
Energy: 2.2108162850745137
Energy: 2.5716165970163134
Energy: 2.2108162850765134
Energy: 2.85428741291482
Energy: 2.2108162850765134
Energy: 2.5488486044410474
Energy: 2.2109804790260683
Energy: 2.7595002978196903
Energy: 2.210980479025068
Energy: 2.5488486044440473
Energy: 2.210980479025068
Energy: 2.7404356154273968
Energy: 2.3736411032570004
Energy: 2.8436774433191414
Energy: 2.3736411032580005
Energy: 2.740848138662058
Energy: 2.3736411032570004

minimum gb energy = 2.0055536623172245 eV
minimum distance =  2.53284841237421 Angstroms
sigma value = 33


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

Energy: 2.8245755302441546
Energy: 2.5401444956520214
Energy: 2.584315154008606
Energy: 2.5401444956548653
Energy: 2.8245755304499447
Energy: 2.5401444956548653
Energy: 2.7370817137638057
Energy: 2.3425361371930906
Energy: 2.7163144087843483
Energy: 2.3425361371879716
Energy: 2.7373934751081213
Energy: 2.3425361371879716
Energy: 2.725210285935586
Energy: 2.5275201026241847
Energy: 3.086385753832385
Energy: 2.5275201026213407
Energy: 2.72517662445109
Energy: 2.5275201026207723
Energy: 2.739117033810521
Energy: 2.3245272215912993
Energy: 2.717765156264301
Energy: 2.3245272215941437
Energy: 2.7391170338452158
Energy: 2.3245272215941437
Energy: 2.8592025613934884
Energy: 2.418866519488165
Energy: 3.0208379933590286
Energy: 2.4188665194779273
Energy: 2.8592025613940573
Energy: 2.418866519477359
Energy: 2.733306296180776
Energy: 2.4401846684557382
Energy: 2.6754463579011
Energy: 2.44018466845517
Energy: 2.7333022993422986
Energy: 2.44018466845517
Energy: 2.7326051992793055
Energy: 2.4401800578895094
Energy: 2.649235300599084
Energy: 2.4401800578849593
Energy: 2.7325972300546777
Energy: 2.4401800578849593
Energy: 2.6758607361535236
Energy: 2.4399747527078137
Energy: 2.8307911436246846
Energy: 2.439974752708382
Energy: 2.675860762365407
Energy: 2.439974752708382
Energy: 2.687293208290447
Energy: 2.3430824800438166
Energy: 2.734676755244816
Energy: 2.343082480040973
Energy: 2.6873978186040723
Energy: 2.3430824800415415
Energy: 2.944217775905613
Energy: 2.527505798901461
Energy: 2.94015639462998
Energy: 2.5275057989065797
Energy: 2.944217775905613
Energy: 2.5275057989071485
Energy: 2.700485040176416
Energy: 2.5108221004988542
Energy: 2.6676222343712683
Energy: 2.5108221004988542
Energy: 2.7011315983712754
Energy: 2.5108221004988542
Energy: 3.0827664728710227
Energy: 2.450647991394902
Energy: 2.8058109363956127
Energy: 2.450647991393196
Energy: 3.082766472868748
Energy: 2.450647991393196
Energy: 2.7314597446074753
Energy: 2.378624201456394
Energy: 2.6987102023018106
Energy: 2.378624201460375
Energy: 2.731431714282614
Energy: 2.378624201460375
Energy: 2.684772859735749
Energy: 2.527905583651382
Energy: 2.8747527698444633
Energy: 2.5279055836559325
Energy: 2.684772879802583
Energy: 2.5279055836559325
Energy: 2.7473340706523115
Energy: 2.4507539675287786
Energy: 2.681129822119363
Energy: 2.4507539675270724
Energy: 2.7473340706523115
Energy: 2.4507539675270724
Energy: 2.7611927202680167
Energy: 2.4505932169263747
Energy: 2.8201701205153156
Energy: 2.4505932169235303
Energy: 2.7611957863012555
Energy: 2.4505932169229623
Energy: 2.86679358289798
Energy: 2.418424526167174
Energy: 2.940128604136968
Energy: 2.418424526167174
Energy: 2.86679358289798
Energy: 2.418424526167174
Energy: 2.8655463089874025
Energy: 2.354668234243439
Energy: 2.6812956963143617
Energy: 2.3546682342468515
Energy: 2.86554630898854
Energy: 2.35466823424742
Energy: 2.6752396796551445
Energy: 2.4400822321182685
Energy: 2.9372827856775867
Energy: 2.440082232114856
Energy: 2.6752574268868723
Energy: 2.4400822321142868
Energy: 2.7207330554579974
Energy: 2.3436592880635225
Energy: 2.7376360447631876
Energy: 2.3436592880510094
Energy: 2.720733055455153
Energy: 2.3436592880510094
Energy: 3.0747018455549933
Energy: 2.5580489919942138
Energy: 2.6766002575985604
Energy: 2.5580489919925076
Energy: 3.074701845552718
Energy: 2.5580489919919387
Energy: 2.70324193641953
Energy: 2.268168817075915
Energy: 2.717249086308009
Energy: 2.2681688170725023
Energy: 2.7032420040265523
Energy: 2.268168817073071
Energy: 2.9410045078556024
Energy: 2.418888019499558
Energy: 3.136651488812232
Energy: 2.4188880195018334
Energy: 2.9410045078533273
Energy: 2.4188880195024023
Energy: 2.921428183977439
Energy: 2.3426911624491704
Energy: 2.720590857984552
Energy: 2.342691162449739
Energy: 2.9214281839768708
Energy: 2.342691162449739
Energy: 2.728778627996346
Energy: 2.4504044559033273
Energy: 3.0863614788216087
Energy: 2.4504044559095837
Energy: 2.7287786279974835
Energy: 2.4504044559101525
Energy: 2.7338338778650657
Energy: 2.540653961435897
Energy: 2.5048574475037046
Energy: 2.540653961433622
Energy: 2.7337881630120644
Energy: 2.540653961433622
Energy: 2.7308933432045865
Energy: 2.5405563541733187
Energy: 2.6446204984748864
Energy: 2.540556354178438
Energy: 2.730857159787117
Energy: 2.540556354178438
Energy: 2.713022633471236
Energy: 2.4504336111250256
Energy: 3.0870577273005315
Energy: 2.450433611123888
Energy: 2.7130226334774923
Energy: 2.4504336111244567
Energy: 2.9265336894038305
Energy: 2.342657513735743
Energy: 2.7191135566253046
Energy: 2.342657513731813
Energy: 2.9265336894043994
Energy: 2.342657513731813
Energy: 2.94102125686783
Energy: 2.418849841715203
Energy: 3.0918532617155066
Energy: 2.4188498417169093
Energy: 2.941021256871242
Energy: 2.4188498417174777
Energy: 2.6822662920667173
Energy: 2.26816881707757
Energy: 2.717463462438563
Energy: 2.2681688170742085
Energy: 2.682265170052851
Energy: 2.268168817074778
Energy: 3.0740732150795123
Energy: 2.5578797078029276
Energy: 2.676309854374954
Energy: 2.5578797078040645
Energy: 3.074073215080081
Energy: 2.5578797078040645
Energy: 2.72291518358844
Energy: 2.3433200197654234
Energy: 2.7585777422929603
Energy: 2.3433200197659922
Energy: 2.722915405140932
Energy: 2.3433200197654234
Energy: 2.6756512952802374
Energy: 2.440137764197824
Energy: 2.949913994214211
Energy: 2.4401377642000996
Energy: 2.675643944641862
Energy: 2.4401377641995308
Energy: 2.707379856499749
Energy: 2.354325160503699
Energy: 2.5918850756677623
Energy: 2.3543251605048363
Energy: 2.7073798565139677
Energy: 2.3543251605042674
Energy: 2.696962706473283
Energy: 2.418488099102916
Energy: 2.939343287147605
Energy: 2.418488099100641
Energy: 2.6969627064704387
Energy: 2.4184880991017788
Energy: 2.7460936371541407
Energy: 2.4506792910277393
Energy: 2.911736900235877
Energy: 2.4506792910243265
Energy: 2.746093637158691
Energy: 2.4506792910243265
Energy: 2.7579801976796787
Energy: 2.450369396947796
Energy: 2.7013356848765766
Energy: 2.4503693969455207
Energy: 2.7579801976779725
Energy: 2.4503693969455207
Energy: 2.6806312948510946
Energy: 2.5274235247459083
Energy: 2.87467333608261
Energy: 2.527423524744771
Energy: 2.680631294847114
Energy: 2.527423524744771
Energy: 2.851766726604459
Energy: 2.3791096826943763
Energy: 2.6989870520293318
Energy: 2.3791096826881195
Energy: 2.851766726605596
Energy: 2.379109682686982
Energy: 3.082692966958261
Energy: 2.4506516826421185
Energy: 2.911734097834183
Energy: 2.4506516826443936
Energy: 3.082692966955417
Energy: 2.4506516826443936

minimum gb energy = 2.2681688170725023 eV
minimum distance =  2.52722738674708 Angstroms
sigma value = 51


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

Energy: 3.0853523216170062
Energy: 2.7413832769297817
Energy: 2.7434015848636704
Energy: 2.741383276927146
Energy: 3.0853523216170062
Energy: 2.741383276927146
Energy: 2.8153050717071317
Energy: 2.4786643785841402
Energy: 2.9598516320309005
Energy: 2.478664378582822
Energy: 2.8153050717071317
Energy: 2.478664378582822
Energy: 2.8077956050110386
Energy: 2.6299117268465793
Energy: 3.1057122586565407
Energy: 2.629911726847897
Energy: 2.8077956050097206
Energy: 2.6299117268465793
Energy: 2.8139817336061324
Energy: 2.478383606030418
Energy: 2.95978501607811
Energy: 2.478383606027782
Energy: 2.8139817336061324
Energy: 2.478383606027782
Energy: 2.80969038343163
Energy: 2.4769058593945887
Energy: 3.105559907751269
Energy: 2.476905859391953
Energy: 2.80969038343163
Energy: 2.476905859391953
Energy: 3.1263108796773635
Energy: 2.36509533631861
Energy: 2.9614449627617323
Energy: 2.365095336319928
Energy: 3.1263108796773635
Energy: 2.365095336319928
Energy: 3.127467987690753
Energy: 2.365737910931301
Energy: 2.8414610223104724
Energy: 2.365737910929983
Energy: 3.127467987692071
Energy: 2.365737910929983
Energy: 2.8094884128431707
Energy: 2.4768867430149073
Energy: 2.892273284866094
Energy: 2.4768867430135892
Energy: 2.809488412841853
Energy: 2.4768867430135892
Energy: 3.1270535836660556
Energy: 2.3584060246836684
Energy: 2.6781485343764437
Energy: 2.3584060246863046
Energy: 3.1270535836660556
Energy: 2.3584060246863046
Energy: 2.8088634510697723
Energy: 2.6290981310246737
Energy: 2.892029006367672
Energy: 2.6290981310246737
Energy: 2.8088634510697723
Energy: 2.6290981310246737
Energy: 3.0844549538590504
Energy: 2.5449004713769727
Energy: 2.95964158867641
Energy: 2.5449004713782903
Energy: 3.084454953860368
Energy: 2.5449004713782903
Energy: 3.086812210064991
Energy: 2.740928398263642
Energy: 2.966550986196122
Energy: 2.740928398259688
Energy: 3.0868122100663085
Energy: 2.740928398259688
Energy: 2.837781341030539
Energy: 2.4779749230479426
Energy: 2.962815053135654
Energy: 2.4779749230505783
Energy: 2.837781341030539
Energy: 2.4779749230505783
Energy: 2.810129074933102
Energy: 2.6293918537542966
Energy: 2.9616570427529942
Energy: 2.6293918537542966
Energy: 2.810129074933102
Energy: 2.6293918537556142
Energy: 2.806185340247417
Energy: 2.628671007538125
Energy: 2.963034956264708
Energy: 2.628671007538125
Energy: 2.8061853403290926
Energy: 2.628671007538125
Energy: 2.793515225462653
Energy: 2.477392977844863
Energy: 2.962480685385257
Energy: 2.477392977844863
Energy: 2.793515225462653
Energy: 2.477392977844863
Energy: 3.1259949180471756
Energy: 2.6286219869066683
Energy: 2.9600739891738037
Energy: 2.6286219869066683
Energy: 3.1259949180471756
Energy: 2.6286219869079863
Energy: 3.12710243286042
Energy: 2.3660009924598255
Energy: 2.9551622690179307
Energy: 2.366000992461143
Energy: 3.1271024328591315
Energy: 2.366000992461143

minimum gb energy = 2.3584060246836684 eV
minimum distance =  2.52878245968936 Angstroms
sigma value = 19


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

Energy: 3.806078499369371
Energy: 2.6144336837339166
Energy: 3.0543106502147808
Energy: 2.614433683734698
Energy: 3.8060784993685894
Energy: 2.614433683734698
Energy: 0.46586979242579374
Energy: 2.401799557734347
Energy: 2.982541574956134
Energy: 2.401799557734347
Energy: 0.4669152395888094
Energy: 2.401799557734347
Energy: 3.000255958959434
Energy: 2.6155570961961945
Energy: 2.9865336516928305
Energy: 2.615557096195413
Energy: 3.000255958959434
Energy: 2.615557096195413
Energy: 3.001552838676507
Energy: 2.400434317959523
Energy: 2.9894751950987772
Energy: 2.400434317961086
Energy: 3.001549750020352
Energy: 2.400434317961086
Energy: 3.026751608270417
Energy: 2.614726199359731
Energy: 2.9892236148920937
Energy: 2.6147261993589495
Energy: 3.0267516083391706
Energy: 2.6147261993589495
Energy: 2.985507615327824
Energy: 2.6147328726748844
Energy: 3.026766970976252
Energy: 2.614732872676448
Energy: 2.985507615328606
Energy: 2.6147328726756665
Energy: 2.986874162781117
Energy: 2.4004696344189353
Energy: 2.996004806999482
Energy: 2.4004696344197174
Energy: 2.986874162779553
Energy: 2.4004696344197174
Energy: 2.986516407449154
Energy: 2.6155407653813407
Energy: 3.000378928471601
Energy: 2.615540765382904
Energy: 2.9865164074475903
Energy: 2.615540765382904
Energy: 2.9825242754196974
Energy: 2.401735333857994
Energy: 2.9804334465392435
Energy: 2.4017353338587757
Energy: 2.9825232424463963
Energy: 2.4017353338587757
Energy: 3.054310650215563
Energy: 2.61443368373548
Energy: 3.8060784993685894
Energy: 2.61443368373548
Energy: 3.054310650213999
Energy: 2.61443368373548
Energy: 2.9825441793210334
Energy: 2.4017995577351288
Energy: 2.9804582966721775
Energy: 2.4017995577366924
Energy: 2.982544835212427
Energy: 2.401799557735911
Energy: 2.9865336516912673
Energy: 2.6155570961977577
Energy: 3.000255958962561
Energy: 2.6155570961969765
Energy: 2.986533651688922
Energy: 2.6155570961969765
Energy: 2.9894751950987772
Energy: 2.4004343179603045
Energy: 3.0017820133096067
Energy: 2.4004343179603045
Energy: 2.989475195097996
Energy: 2.4004343179603045
Energy: 2.989238187083573
Energy: 2.6147261993589495
Energy: 3.026751608321973
Energy: 2.6147261993589495
Energy: 2.989244321460069
Energy: 2.6147261993589495
Energy: 3.026766970986414
Energy: 2.6147328726748844
Energy: 2.985507615328606
Energy: 2.6147328726748844
Energy: 3.0267669710184277
Energy: 2.6147328726756665
Energy: 3.010758611165235
Energy: 2.4004696344197174
Energy: 2.9868741627834616
Energy: 2.4004696344204985
Energy: 3.0107586111644538
Energy: 2.4004696344197174
Energy: 3.000378928472382
Energy: 2.6155407653805587
Energy: 2.9865164074499355
Energy: 2.6155407653813407
Energy: 3.000378928471601
Energy: 2.6155407653813407
Energy: 2.980433446538462
Energy: 2.4017353338603398
Energy: 2.982516621345551
Energy: 2.4017353338595577
Energy: 2.9804334465368987
Energy: 2.4017353338603398
Energy: 3.806078499367808
Energy: 2.614433683734698
Energy: 0.12838948372485706
Energy: 2.6144336837339166
Energy: 3.8060784993685894
Energy: 2.6144336837339166
Energy: 2.9804582966729596
Energy: 2.401799557734347
Energy: 2.9825394544324486
Energy: 2.401799557734347
Energy: 2.9804582966729596
Energy: 2.401799557733565
Energy: 3.0002559589586526
Energy: 2.615557096194631
Energy: 2.9865336516897036
Energy: 2.6155570961961945
Energy: 3.000255958959434
Energy: 2.6155570961961945
Energy: 3.001546374678718
Energy: 2.4004343179603045
Energy: 2.9894751950995593
Energy: 2.400434317959523
Energy: 3.001555770385839
Energy: 2.400434317959523
Energy: 3.0267516082930506
Energy: 2.614726199359731
Energy: 2.9892281614640144
Energy: 2.614726199360513
Energy: 3.0267516082383676
Energy: 2.614726199360513
Energy: 2.9855076153293876
Energy: 2.6147328726756665
Energy: 3.026766970985632
Energy: 2.6147328726756665
Energy: 2.985507615327824
Energy: 2.6147328726756665
Energy: 2.9868741627803352
Energy: 2.4004696344197174
Energy: 3.010758611165235
Energy: 2.4004696344197174
Energy: 2.986874162767828
Energy: 2.4004696344197174
Energy: 2.986516407446027
Energy: 2.6155407653836855
Energy: 3.000378928470819
Energy: 2.6155407653813407
Energy: 2.9865164074483723
Energy: 2.6155407653813407
Energy: 2.9825190514443105
Energy: 2.4017353338587757
Energy: 2.980433446538462
Energy: 2.4017353338587757
Energy: 2.9825152139875777
Energy: 2.4017353338587757
Energy: 3.032676540884928
Energy: 2.6144336837362614
Energy: 3.806078499369371
Energy: 2.6144336837362614
Energy: 3.032754115503759
Energy: 2.6144336837362614
Energy: 2.9825432280648716
Energy: 2.4017995577366924
Energy: 2.9804582966721775
Energy: 2.4017995577351288
Energy: 2.9825438520445378
Energy: 2.4017995577351288
Energy: 2.9865336516928305
Energy: 2.6155570961961945
Energy: 3.0002559589609974
Energy: 2.6155570961977577
Energy: 2.986533651692049
Energy: 2.6155570961977577

minimum gb energy = 0.12838948372485706 eV
minimum distance =  2.51577492970191 Angstroms
sigma value = 27


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

Energy: 2.9323814399517065
Energy: 2.0735950471841007
Energy: 2.13920362385931
Energy: 2.0735950471841007
Energy: 2.932381439953621
Energy: 2.0735950471841007
Energy: 2.9404692468983025
Energy: 2.0759419273925004
Energy: 2.964552773747631
Energy: 2.0759419273963298
Energy: 2.9404692468983025
Energy: 2.075941927394415
Energy: 2.9713606275280373
Energy: 2.6829358082767034
Energy: 2.9606103097200203
Energy: 2.6829358082786188
Energy: 2.9713606275280373
Energy: 2.6829358082786188
Energy: 2.929129151400523
Energy: 2.075872291499819
Energy: 2.965449964591883
Energy: 2.075872291499819
Energy: 2.929129151402438
Energy: 2.075872291501734
Energy: 2.963903508111821
Energy: 2.07455396266392
Energy: 2.9413563759841335
Energy: 2.0745539626620055
Energy: 2.9639035081099063
Energy: 2.0745539626620055
Energy: 2.963551270743732
Energy: 2.6835778922115145
Energy: 2.9630026256280964
Energy: 2.6835778922115145
Energy: 2.9635512707418177
Energy: 2.6835778922115145
Energy: 2.9725827968579477
Energy: 2.078060467241902
Energy: 2.9607134956982226
Energy: 2.0780604672438168
Energy: 2.9725827968579477
Energy: 2.078060467241902
Energy: 2.9292350099366593
Energy: 2.0739373972917385
Energy: 2.966646723605614
Energy: 2.073937397293653
Energy: 2.929235009938574
Energy: 2.073937397293653
Energy: 2.9637249939892674
Energy: 2.0784834736085966
Energy: 2.941493309947088
Energy: 2.078483473610511
Energy: 2.963724993993097
Energy: 2.0784834736085966
Energy: 2.9635969276157867
Energy: 2.6829921143140005
Energy: 2.9636022713135204
Energy: 2.6829921143140005
Energy: 2.9635969276138723
Energy: 2.6829921143140005
Energy: 2.9714023130420726
Energy: 2.0788624670217595
Energy: 2.963215941739825
Energy: 2.0788624670217595
Energy: 2.9714023130459024
Energy: 2.0788624670217595
Energy: 2.965957668758375
Energy: 2.0740360674836906
Energy: 2.928935299432329
Energy: 2.0740360674836906
Energy: 2.965957668758375
Energy: 2.0740360674836906

minimum gb energy = 2.0735950471841007 eV
minimum distance =  2.52777544113943 Angstroms
sigma value = 9


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

Energy: 2.9566971329751426
Energy: 2.7679960956561724
Energy: 2.972991518212491
Energy: 2.7679960956550964
Energy: 2.95669713297568
Energy: 2.7679960956550964
Energy: 2.9704124845743634
Energy: 2.3797722929853165
Energy: 2.9414479317130793
Energy: 2.3797722929842404
Energy: 2.970412484574901
Energy: 2.379772292984778
Energy: 3.0565659731712524
Energy: 2.770714315592916
Energy: 2.941828238834251
Energy: 2.770714315592916
Energy: 3.0565659731728663
Energy: 2.7707143155934544
Energy: 2.9484534814642394
Energy: 2.6426104154892336
Energy: 2.950620638915534
Energy: 2.6426104154892336
Energy: 2.9484534814631638
Energy: 2.6426104154886954
Energy: 2.944945739234442
Energy: 2.6428236088250814
Energy: -1.7611964998988385
Energy: 2.6428236088250814
Energy: 2.9449457392365934
Energy: 2.6428236088250814
Energy: 2.941685281292461
Energy: 2.837085112377023
Energy: 2.9390188139761793
Energy: 2.8233247685506018
Energy: 2.9416852812919236
Energy: 2.837085112374871
Energy: 3.004597679084944
Energy: 2.640778474987648
Energy: 2.941070587609153
Energy: 2.6407784749849585
Energy: 3.004597679084944
Energy: 2.6407784749849585
Energy: 2.9397266084555547
Energy: 2.6420951513916373
Energy: 2.9467716356384734
Energy: 2.6420951513948654
Energy: 2.939726608455017
Energy: 2.6420951513954036
Energy: 2.972932042571834
Energy: 2.653021926513751
Energy: 2.975311675214167
Energy: 2.6530219265132122
Energy: 2.97293204257291
Energy: 2.653021926513751
Energy: 2.94329155484964
Energy: 2.7697956698203576
Energy: 2.966606985017717
Energy: 2.7697956698176673
Energy: 2.943291554850716
Energy: 2.769795669818206
Energy: 2.973522800738598
Energy: 2.5128961186350645
Energy: 2.941722110293741
Energy: 2.5128961186329124
Energy: 2.97352280073806
Energy: 2.5128961186329124
Energy: 2.941427046396994
Energy: 2.6417781941487024
Energy: 2.9451017338957395
Energy: 2.6417781941487024
Energy: 2.94142704639538
Energy: 2.641778194148164
Energy: 2.9464226930128055
Energy: 2.83403151403249
Energy: 2.9558281431453115
Energy: 2.834031514034104
Energy: 2.9464226930122672
Energy: 2.834031514033566
Energy: 3.010994353610111
Energy: 2.7700007184416426
Energy: 2.94521569885721
Energy: 2.7700007184384146
Energy: 3.010994353611187
Energy: 2.7700007184384146
Energy: 2.9437494041394707
Energy: 2.6408776399883314
Energy: 2.942367530417983
Energy: 2.6408776399883314
Energy: 2.9437494041383947
Energy: 2.6408776399883314
Energy: 2.951340685102859
Energy: 2.50953942649786
Energy: 2.9451460509515526
Energy: 2.5095394264994737
Energy: 2.9513406851023207
Energy: 2.509539426498936
Energy: 2.9418658821393273
Energy: 2.768434542307783
Energy: 2.953437339947362
Energy: 2.768434542311549
Energy: 2.941865882140403
Energy: 2.768434542311549
Energy: 2.9479036428602954
Energy: 2.7389938482379614
Energy: 2.9474087014097052
Energy: 2.738993848237423
Energy: 2.9479036428608336
Energy: 2.7389938482379614
Energy: 2.940037246120116
Energy: 2.7686382616261964
Energy: 2.9483325725228102
Energy: 2.7686382616288863
Energy: 2.940037246120116
Energy: 2.7686382616278102
Energy: 2.951105161869281
Energy: 2.6988464797504386
Energy: 2.95100767167511
Energy: 2.6988464797509764
Energy: 2.951105161868743
Energy: 2.6988464797515146
Energy: 2.9483032835559735
Energy: 2.768555020740519
Energy: 2.9401876657119823
Energy: 2.768555020737829
Energy: 2.9483032835581255
Energy: 2.7685550207383676
Energy: 2.946809698681412
Energy: 2.7390066331271874
Energy: 2.9478529866521046
Energy: 2.7390066331271874
Energy: 2.9468096986824883
Energy: 2.7390066331255736
Energy: 2.953491167646919
Energy: 2.7684119751013094
Energy: 2.941952964651651
Energy: 2.7684119751013094
Energy: 2.953491167646919
Energy: 2.768411975100771
Energy: 2.9452050764519475
Energy: 2.5095261498897354
Energy: 2.951365371882967
Energy: 2.509526149889197
Energy: 2.9452050764508715
Energy: 2.509526149889197
Energy: 2.9423472080944117
Energy: 2.640887848857193
Energy: 2.9437717454825836
Energy: 2.640887848859345
Energy: 2.9423472080944117
Energy: 2.640887848859883
Energy: 2.94545681638159
Energy: 2.7700019748140585
Energy: 3.010875951285514
Energy: 2.7700019748124447
Energy: 2.945456816383204
Energy: 2.7700019748124447
Energy: 2.9560210576741928
Energy: 2.8340411868984674
Energy: 2.946054311479447
Energy: 2.8340411868973914
Energy: 2.956021057673117
Energy: 2.8340411868973914
Energy: 2.9450774070097068
Energy: 2.641705350674773
Energy: 2.9414419156925002
Energy: 2.641705350672621
Energy: 2.945077407007017
Energy: 2.6417053506720825
Energy: 2.9417552512907
Energy: 2.512750222464729
Energy: 2.993191809957847
Energy: 2.5127502224663427
Energy: 2.941755251288548
Energy: 2.5127502224663427
Energy: 2.9665953813823607
Energy: 2.7697613596228985
Energy: 2.9433097472761656
Energy: 2.7697613596228985
Energy: 2.9665953813855883
Energy: 2.769761359622361
Energy: 2.941628655836997
Energy: 2.6530219265153647
Energy: 2.9727053698278665
Energy: 2.6530219265110606
Energy: 2.941628655840763
Energy: 2.6530219265115984
Energy: 2.9469545139973694
Energy: 2.642031021442848
Energy: 2.9394930732346043
Energy: 2.6420310214460763
Energy: 2.9469545139973694
Energy: 2.6420310214460763
Energy: 2.941050545370253
Energy: 2.6407934794458177
Energy: 3.004521131086761
Energy: 2.640793479442052
Energy: 2.941050545369715
Energy: 2.6407934794425896
Energy: 2.9392288564082043
Energy: 2.801847705389953
Energy: 2.9416865247436177
Energy: 2.801847705393181
Energy: 2.9392288564076665
Energy: 2.8018477053937194
Energy: 2.945412478170595
Energy: 2.642828952439439
Energy: 2.945014110705226
Energy: 2.642828952442129
Energy: 2.945412478168981
Energy: 2.642828952442129
Energy: 2.9506805742774738
Energy: 2.6425948566873183
Energy: 2.9485055656407266
Energy: 2.6425948566862423
Energy: 2.9506805742774738
Energy: 2.6425948566862423
Energy: 2.9418648003839483
Energy: 2.7706974367940864
Energy: 3.057167771379132
Energy: 2.7706974367940864
Energy: 2.94186480038072
Energy: 2.770697436794624
Energy: 2.9414849735596214
Energy: 2.5733572214914986
Energy: 2.9704219459308314
Energy: 2.573357221487195
Energy: 2.941484973556931
Energy: 2.5733572214882705
Energy: 2.9600752089393176
Energy: 2.7679960956583245
Energy: 2.9566971329724523
Energy: 2.767996095660476
Energy: 2.9600752089382416
Energy: 2.767996095661014
Energy: 2.9414479317093134
Energy: 2.379772292983702
Energy: 2.970412484579205
Energy: 2.3797722929831644
Energy: 2.941447931709851
Energy: 2.379772292982626
Energy: 2.9418282388294092
Energy: 2.7707143155902263
Energy: 3.056565973176632
Energy: 2.77071431559184
Energy: 2.941828238828871
Energy: 2.77071431559184
Energy: 2.950620638917148
Energy: 2.6426104154886954
Energy: 2.9484534814620873
Energy: 2.642610415488158
Energy: 2.950620638917148
Energy: 2.642610415488158
Energy: 2.959136365402682
Energy: 2.6428236088240054
Energy: 2.9449457392059273
Energy: 2.642823608822929
Energy: 2.9591363654053713
Energy: 2.6428236088234676

minimum gb energy = -1.7611964998988385 eV
minimum distance =  2.49098438362726 Angstroms
sigma value = 57


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

Energy: 2.671322547484268
Energy: 2.841696759318476
Energy: 2.7732368513874586
Energy: 2.841696759320926
Energy: 2.6713225474867173
Energy: 2.841696759320926
Energy: 2.709810600876318
Energy: 2.287230772325145
Energy: 2.682381175055207
Energy: 2.2872307723239205
Energy: 2.7098106008750933
Energy: 2.2872307723239205
Energy: 2.676211136745998
Energy: 2.5941226743579864
Energy: 2.707892280061148
Energy: 2.5941226743579864
Energy: 2.6762111367447736
Energy: 2.5941226743579864
Energy: 2.7491465991741477
Energy: 2.5771454262354636
Energy: 2.704127452120589
Energy: 2.5771454262342393
Energy: 2.749146599175372
Energy: 2.5771454262354636
Energy: 2.752606770205196
Energy: 2.8419113328866255
Energy: 2.6839203519890544
Energy: 2.8419113328866255
Energy: 2.7526067702064205
Energy: 2.8419113328866255
Energy: 2.7487968290720968
Energy: 2.595778217644573
Energy: 2.671921886382496
Energy: 2.595778217644573
Energy: 2.7487968290720968
Energy: 2.595778217644573
Energy: 2.7488581945923105
Energy: 2.595782789493283
Energy: 2.671922158210281
Energy: 2.595782789493283
Energy: 2.7488581945910857
Energy: 2.595782789493283
Energy: 2.7526237537772955
Energy: 2.8418645034943983
Energy: 2.703551736871021
Energy: 2.8418645034943983
Energy: 2.7526237537772955
Energy: 2.841864503495623
Energy: 2.749187825329875
Energy: 2.5765663735367172
Energy: -0.9502894411835854
Energy: 2.5765663735354924
Energy: 2.7491878253286504
Energy: 2.5765663735354924
Energy: 2.6762416381247833
Energy: 2.5942234836527045
Energy: 2.708205298765139
Energy: 2.59422348365148
Energy: 2.6762416381247833
Energy: 2.59422348365148
Energy: 2.709883579398637
Energy: 2.2872307723202465
Energy: -0.9847635343878374
Energy: 2.2872307723190217
Energy: 2.7098835793974123
Energy: 2.2872307723190217
Energy: 2.6713225474830433
Energy: 2.841696759320926
Energy: 0.5854678608905513
Energy: 2.841696759319701
Energy: 2.6713225474818185
Energy: 2.841696759319701
Energy: 2.7098106008750933
Energy: 2.2872307723239205
Energy: 2.6823811750564315
Energy: 2.287230772325145
Energy: 2.7098106008750933
Energy: 2.287230772325145
Energy: 2.676211136745998
Energy: 2.5941226743579864
Energy: 2.707892280062372
Energy: 2.5941226743579864
Energy: 2.6762111367447736
Energy: 2.5941226743567616
Energy: 2.749146599175372
Energy: 2.5771454262342393
Energy: 2.704127452120589
Energy: 2.5771454262354636
Energy: 2.7491465991765973
Energy: 2.5771454262342393
Energy: 2.7526067702076458
Energy: 2.84191133288785
Energy: 2.6839203519890544
Energy: 2.8419113328854007
Energy: 2.7526067702076458
Energy: 2.8419113328866255
Energy: 2.7487968290720968
Energy: 2.5957782176457984
Energy: 2.671921886382496
Energy: 2.5957782176457984
Energy: 2.7487968290720968
Energy: 2.595778217644573
Energy: 2.7488581945910857
Energy: 2.5957827894920578
Energy: 2.671922158210281
Energy: 2.595782789493283
Energy: 2.7488581945923105
Energy: 2.595782789493283
Energy: 2.75262375377852
Energy: 2.8418645034931735
Energy: 2.703551736871021
Energy: 2.8418645034943983
Energy: 2.7526237537772955
Energy: 2.8418645034943983

minimum gb energy = -0.9847635343878374 eV
minimum distance =  2.4728280936154 Angstroms
sigma value = 11


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

Energy: 2.329406221728838
Energy: 2.6539567840679825
Energy: 2.3463883863645787
Energy: 2.6539567840724674
Energy: 2.329406221730632
Energy: 2.6539567840724674
Energy: 2.302560145981637
Energy: 2.261435408731742
Energy: 2.3052658963340864
Energy: 2.261435408733536
Energy: 2.3025601459834317
Energy: 2.2614354087344335
Energy: 2.3826562811404433
Energy: 2.383560330889266
Energy: 2.3149806269426887
Energy: 2.3835603308856776
Energy: 2.38265628114134
Energy: 2.3835603308865747
Energy: 2.335048078749403
Energy: 2.378976338286439
Energy: 2.305217091455025
Energy: 2.3789763382846445
Energy: 2.335048078749403
Energy: 2.3789763382846445
Energy: 2.29993497650441
Energy: 2.6547606574847933
Energy: 2.3091725753060026
Energy: 2.654760657482999
Energy: 2.29993497650441
Energy: 2.654760657482999
Energy: 2.3653474323746506
Energy: 2.526875520508724
Energy: 2.3039922202020517
Energy: 2.526875520507827
Energy: 2.3653474323755477
Energy: 2.526875520507827
Energy: 2.369829828403232
Energy: 2.313166567095821
Energy: 2.303516007149135
Energy: 2.313166567095821
Energy: 2.369829828405026
Energy: 2.3131665670976154
Energy: 2.3773135362975912
Energy: 2.6547254256431625
Energy: 2.258808653402016
Energy: 2.6547254256440596
Energy: 2.377313536296694
Energy: 2.6547254256431625
Energy: 2.378172597908987
Energy: 2.65337188660291
Energy: -1.6105678241809196
Energy: 2.653371886603807
Energy: 2.378172597908987
Energy: 2.6533718866056013
Energy: 2.36222364488702
Energy: 2.309174190271652
Energy: 2.3047382479219602
Energy: 2.3091741902707548
Energy: 2.362223644885226
Energy: 2.309174190271652
Energy: 2.3703168449498717
Energy: 2.5203212580246492
Energy: 2.3019965589336238
Energy: 2.5203212580273404
Energy: 2.3703168449507688
Energy: 2.5203212580273404
Energy: 2.2993232965410177
Energy: 2.6551574740488686
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Energy: 2.2993232965401202
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Energy: 2.3603056639041897
Energy: 2.378610036786863
Energy: 2.308320938644151
Energy: 2.3786100367913483
Energy: 2.3603056639050872
Energy: 2.3786100367904512
Energy: 2.3095217694336228
Energy: 2.309396913729656
Energy: 2.316698887801425
Energy: 2.309396913734141
Energy: 2.3095217694336228
Energy: 2.309396913732347
Energy: 2.3005758982880042
Energy: 2.26231234830812
Energy: 2.303422003486329
Energy: 2.2623123483108105
Energy: 2.3005758982871067
Energy: 2.262312348311708
Energy: 2.2554303929416015
Energy: 2.6543424966539746
Energy: 2.3205534591666073
Energy: 2.6543424966530775
Energy: 2.2554303929451898
Energy: 2.6543424966530775
Energy: 2.337803390018384
Energy: 2.2616047748239367
Energy: 2.3127737834020485
Energy: 2.2616047748266284
Energy: 2.3378033900201785
Energy: 2.2616047748257313
Energy: 2.3083191482209147
Energy: 2.309432715648719
Energy: 2.3166780740835327
Energy: 2.3094327156514107
Energy: 2.3083191482218117
Energy: 2.3094327156532053
Energy: 2.3322521416003164
Energy: 2.381419277761413
Energy: 2.303406117131861
Energy: 2.38141927776231
Energy: 2.33225214159583
Energy: 2.381419277761413
Energy: 2.2990770214742593
Energy: 2.6529941603044938
Energy: 2.3218795787165387
Energy: 2.6529941603044938
Energy: 2.299077021476053
Energy: 2.6529941603044938
Energy: 2.324785473305471
Energy: 2.5277429480271048
Energy: 2.3079712766942504
Energy: 2.5277429480271048
Energy: 2.32478547330278
Energy: 2.5277429480280023
Energy: 2.339567745081752
Energy: 2.3081000759632753
Energy: 2.3014949357806396
Energy: 2.3081000759623778
Energy: 2.339567745083547
Energy: 2.308100075960584
Energy: 2.370963138454661
Energy: 2.655808661549876
Energy: 2.2600435360538724
Energy: 2.655808661549876
Energy: 2.370963138456455
Energy: 2.655808661548082
Energy: 2.2996000370801704
Energy: 2.5187152745558024
Energy: 2.2983766549285876
Energy: 2.518715274556699
Energy: 2.299600037079273
Energy: 2.518715274557596
Energy: 2.315166730375164
Energy: 2.308359250407413
Energy: 2.3082686828678685
Energy: 2.308359250406516
Energy: 2.3151667303733694
Energy: 2.308359250407413
Energy: 2.3341610778616904
Energy: 2.4653937993672823
Energy: 2.300577129793507
Energy: 2.4653937993681794
Energy: 2.3341610778607933
Energy: 2.4653937993699735

minimum gb energy = -1.6105678241809196 eV
minimum distance =  2.48109996156123 Angstroms
sigma value = 41


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

Energy: 2.8897973072434167
Energy: 2.500266387504903
Energy: 1.9656161388839686
Energy: 2.500266387504903
Energy: 2.8897973072342245
Energy: 2.500266387504903
Energy: 1.9962567046671897
Energy: 2.006364606348165
Energy: 1.9984807442091816
Energy: 2.006364606348165
Energy: 1.9962567046650685
Energy: 2.006364606348165
Energy: 1.9770158222864573
Energy: 2.397839236377304
Energy: 1.9687534054526392
Energy: 2.397839236376597
Energy: 1.9770158222864573
Energy: 2.397839236376597
Energy: 1.9952107049710854
Energy: 1.9660141915915825
Energy: 1.9877474954726062
Energy: 1.9660141915908753
Energy: 1.9952107049710854
Energy: 1.966014191590168
Energy: 2.041634246835997
Energy: 2.0391492302650187
Energy: -0.7509461014067915
Energy: 2.039149230266433
Energy: 2.041634246836704
Energy: 2.0391492302657257
Energy: 1.9685016905602897
Energy: 2.3043489373234514
Energy: 1.9990578533369656
Energy: 2.3043489373255728
Energy: 1.968501690559583
Energy: 2.3043489373248662
Energy: 1.9975656347457462
Energy: 2.3985749492026347
Energy: 2.0025436866023383
Energy: 2.398574949203342
Energy: 1.9975656347464534
Energy: 2.398574949203342
Energy: 1.9611196493179643
Energy: 1.9851788522019467
Energy: 1.932526309384615
Energy: 1.9851788522033604
Energy: 1.9611196493186718
Energy: 1.9851788522033604
Energy: 2.094277129378421
Energy: 1.984376314775394
Energy: -0.7235929446716632
Energy: 1.9843763147746871
Energy: 2.094277129379128
Energy: 1.9843763147746871
Energy: 2.0822707543860255
Energy: 2.3962139481833495
Energy: 1.9189841246741988
Energy: 2.3962139481833495
Energy: 2.0822707543860255
Energy: 2.3962139481833495
Energy: 2.084572751382904
Energy: 2.3930898128503557
Energy: 1.926859322843395
Energy: 2.3930898128496483
Energy: 2.0845727513836114
Energy: 2.3930898128496483
Energy: 1.9665422377104107
Energy: -1.891223486447725
Energy: 1.9331022581871045
Energy: -1.8912234845458389
Energy: 1.9665422377089967
Energy: 2.2598744283632666
Energy: 2.085737575356927
Energy: 2.30760821301112
Energy: -0.7224810371520665
Energy: 2.3076082130104125
Energy: 2.0857375753555125
Energy: 2.307608213009706
Energy: 1.9978878546528311
Energy: 2.404858869104318
Energy: 1.9998756866360379
Energy: 2.404858869104318
Energy: 1.997887854654245
Energy: 2.4048588691050248
Energy: 1.9674584149220244
Energy: 1.9639750196284502
Energy: 1.9985850948694686
Energy: 1.9639750196291577
Energy: 1.9674584149199033
Energy: 1.9639750196298644
Energy: 1.9965707463125424
Energy: 2.25980413554316
Energy: 1.9899568159754761
Energy: 2.2598041355452816
Energy: 1.9965707463111284
Energy: 2.2598041355452816
Energy: 2.0032769106748067
Energy: 1.9624280416161988
Energy: -0.5228673132360915
Energy: 1.9624280416161988
Energy: 2.0032769106733928
Energy: 1.9624280416161988
Energy: 1.9385763425405993
Energy: 2.4046228225612434
Energy: 1.9699659649953416
Energy: 2.4046228225626574
Energy: 1.9385763425413065
Energy: 2.4046228225626574
Energy: 1.9984979770768114
Energy: 2.0226113775842123
Energy: 1.9989015007078257
Energy: 2.022611377585626
Energy: 1.9984979770746905
Energy: 2.022611377585626
Energy: 1.933135425567167
Energy: 2.2611299851622957
Energy: 1.9767116788789239
Energy: 2.2611299851637097
Energy: 1.933135425567167
Energy: 2.2611299851637097
Energy: 1.961203508758566
Energy: 1.971470105452408
Energy: 1.9740858771835637
Energy: 1.971470105448873
Energy: 1.9612035087642226
Energy: 1.971470105448873
Energy: 1.9388586584980545
Energy: 2.4044385535902837
Energy: 1.9699070760700612
Energy: 2.4044385535888693
Energy: 1.9388586584987613
Energy: 2.4044385535888693
Energy: 1.9752110793762254
Energy: 1.964919600414411
Energy: 1.9987734972993436
Energy: 1.964919600412997
Energy: 1.9752110793755184
Energy: 1.9649196004137042
Energy: 1.9967372650509057
Energy: 2.2160076303406755
Energy: 1.9635268933087386
Energy: 2.2160076303406755
Energy: 1.9967372650530268
Energy: 2.2160076303406755
Energy: 1.9636745964148874
Energy: 2.3154042013630263
Energy: 1.9910905648441932
Energy: 2.3154042013623197
Energy: 1.9636745964148874
Energy: 2.3154042013630263
Energy: 1.9975907146177272
Energy: 2.2106397724686646
Energy: 1.9963277486086306
Energy: 2.210639772467957
Energy: 1.9975907146177272
Energy: 2.210639772467957
Energy: 1.9584652026149882
Energy: 2.4073540944731815
Energy: 1.9332751983262946
Energy: 2.407354094474596
Energy: 1.9584652026149882
Energy: 2.407354094475303
Energy: 1.9662782105412402
Energy: 2.218016964997539
Energy: 1.9863585309868736
Energy: 2.218016964996832
Energy: 1.966278210540533
Energy: 2.218016964996832
Energy: 2.0835303541807635
Energy: 2.407721517351171
Energy: 1.9401980971613724
Energy: 2.4077215173518773
Energy: 2.0835303541807635
Energy: 2.4077215173525848
Energy: 1.9977930563099844
Energy: 2.224999979425552
Energy: 1.9283192358324595
Energy: 2.2249999794248447
Energy: 1.9977930563113984
Energy: 2.2249999794241377
Energy: 1.9641678660030648
Energy: 2.407735853347521
Energy: 1.9341074413808106
Energy: 2.4077358533482283
Energy: 1.9641678660023576
Energy: 2.4077358533482283
Energy: 1.96624087153119
Energy: 2.3043887412326622
Energy: 1.9996152598799921
Energy: 2.3043887412333692
Energy: 1.966240871529069
Energy: 2.3043887412333692
Energy: 2.0001995923179754
Energy: 2.407917972209328
Energy: 1.9897269007231322
Energy: 2.4079179722114494
Energy: 2.0001995923179754
Energy: 2.4079179722114494

minimum gb energy = -1.891223486447725 eV
minimum distance =  2.51211829183101 Angstroms
sigma value = 33


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

Energy: 2.2130932223170614
Energy: 1.9694393556325065
Energy: 1.4416294077536569
Energy: 1.9694393556320102
Energy: 2.2130932223190465
Energy: 1.9694393556330025
Energy: 1.5728290149650113
Energy: 1.4317467811622324
Energy: 1.5259102597014809
Energy: 1.43174678116521
Energy: 1.5728290148573751
Energy: 1.43174678116521
Energy: 2.213286077385719
Energy: 1.9690889089194368
Energy: 1.4767564912024527
Energy: 1.9690889089214219
Energy: 2.213286077379764
Energy: 1.9690889089214219
Energy: 1.5613654658283778
Energy: 1.4767651320346795
Energy: 1.5260198556549698
Energy: 1.476765132035672
Energy: 1.5613654658278815
Energy: 1.476765132036168
Energy: 1.5990537666966822
Energy: 1.9171982285792513
Energy: 1.4946246258087554
Energy: 1.9171982285777625
Energy: 1.599053766698667
Energy: 1.9171982285782585
Energy: 1.5298925227014568
Energy: 1.479629025904326
Energy: 1.5256015635273064
Energy: 1.4796290259073033
Energy: 1.529892522701953
Energy: 1.4796290259053186
Energy: 1.6223028766628744
Energy: 1.92684344537043
Energy: 1.5345784574982346
Energy: 1.9268434453724144
Energy: 1.6223028766638667
Energy: 1.9268434453734071
Energy: 1.503513789664345
Energy: 1.524910902484841
Energy: 1.61376108574752
Energy: 1.5249109024798788
Energy: 1.5035137896673223
Energy: 1.52491090248236
Energy: 1.609282834331326
Energy: 1.9172456937392064
Energy: -2.9280537677241223
Energy: 1.9172456937392064
Energy: 1.6092828343303336
Energy: 1.917245693739703
Energy: 1.4696961194766258
Energy: 1.9267093949097862
Energy: 2.1806204183329423
Energy: 1.9267093949097862
Energy: 1.4696961194746407
Energy: 1.9267093949097862
Energy: 1.6423548390374485
Energy: 1.9267550875965325
Energy: 1.574092386191332
Energy: 1.9267550875980208
Energy: 1.6423548390364564
Energy: 1.9267550875980208
Energy: 1.6452085304740682
Energy: 1.9733838866012592
Energy: 2.182549346425059
Energy: 1.973383886598778
Energy: 1.6452085304784894
Energy: 1.973383886598778
Energy: 1.609522611332889
Energy: 1.9155901615175428
Energy: -1.6330031300603007
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Energy: 1.609522611334378
Energy: 1.915590161518039
Energy: 1.554926870607082
Energy: 1.9779707948470437
Energy: 1.5657932149070106
Energy: 1.9779707948510135
Energy: 1.5549268706095631
Energy: 1.9779707948505174
Energy: 1.551474918363435
Energy: 1.9215841716619568
Energy: 1.5733499921666854
Energy: 1.921584171662453
Energy: 1.5514749183649237
Energy: 1.9215841716619568
Energy: 1.6147960379245838
Energy: 1.9736524069073507
Energy: 2.1834285353087086
Energy: 1.973652406908343
Energy: 1.6147960379240878
Energy: 1.9736524069078467
Energy: 1.6099208737915618
Energy: 1.9149424470842291
Energy: -1.6327822541589028
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Energy: 1.6099208737920128
Energy: 1.914942447081748
Energy: 1.527974505365929
Energy: 1.978003229206659
Energy: 1.5756092825516201
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Energy: 1.527974505365929
Energy: 1.9780032292096361
Energy: 1.4709453110679878
Energy: 1.885991286516347
Energy: 1.5756693449587924
Energy: 1.885991286516347
Energy: 1.4709453110704689
Energy: 1.885991286516347
Energy: 1.611312165237091
Energy: 1.9736838347504908
Energy: 1.5761450187808883
Energy: 1.9736838347509869
Energy: 1.6113121652336173
Energy: 1.9736838347504908
Energy: 1.5262888128396133
Energy: 1.881908986890047
Energy: -1.9098432656047508
Energy: 1.8819089868960015
Energy: 1.5262888128316738
Energy: 1.881908986896498
Energy: 1.616704969555958
Energy: 1.9786750127571824
Energy: 1.5247488504288589
Energy: 1.9786750127551973
Energy: 1.6167049695589355
Energy: 1.9786750127551973
Energy: 1.5316464747972895
Energy: 1.8513911174782758
Energy: 1.5273123325989226
Energy: 1.8513911174748021
Energy: 1.5316464747982819
Energy: 1.8513911174752982
Energy: 1.5962719136455832
Energy: 1.973888575586883
Energy: 1.5247067547465385
Energy: 1.9738885755888678
Energy: 1.5962719136445906
Energy: 1.9738885755888678
Energy: 1.5731195916489942
Energy: 1.8827419731231851
Energy: 1.590309279997262
Energy: 1.8827419731236812
Energy: 1.5731195915993714
Energy: 1.8827419731231851
Energy: 1.623280881800416
Energy: 1.9793080619031498
Energy: 1.4791528392306894
Energy: 1.9793080619006687
Energy: 1.6232808818083555
Energy: 1.9793080619006687
Energy: 1.5995520235151064
Energy: 1.476177064020324
Energy: 1.5276217599661803
Energy: 1.4761770640218126
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Energy: 1.4761770640223089
Energy: 2.1490484260416065
Energy: 1.9742777463071801
Energy: 1.877316398058256
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Energy: 2.1490484260391254
Energy: 1.9742777463116463
Energy: 1.5767782887702884
Energy: 1.8826983780153461
Energy: 1.5908447409547006
Energy: 1.88269837801485
Energy: 1.5767782889418929
Energy: 1.8826983780153461
Energy: 1.623216872778394
Energy: 1.9800613708250923
Energy: 1.416709282943907
Energy: 1.9800613708260846
Energy: 1.623216872766981
Energy: 1.9800613708260846
Energy: 1.7055319364064687
Energy: 1.4717199275094317
Energy: 1.5277092869333029
Energy: 1.4717199275134014
Energy: 1.7055319364020027
Energy: 1.4717199275129051
Energy: 1.5956597051628958
Energy: 1.9286338983208182
Energy: 1.4689672107028229
Energy: 1.928633898317841
Energy: 1.5956597051623997
Energy: 1.9286338983188334
Energy: 1.6126547678733685
Energy: 1.8942738713035125
Energy: 1.6091375781633537
Energy: 1.89427387130252
Energy: 1.6126547678684064
Energy: 1.89427387130252
Energy: 1.6162945499536965
Energy: 1.9316002636451735
Energy: 1.4718318369862275
Energy: 1.9316002636446774
Energy: 1.6162945499556813
Energy: 1.9316002636446774
Energy: 1.471797203300143
Energy: 1.9318464636760344
Energy: 1.61618816325314
Energy: 1.9318464636780195
Energy: 1.471797203300639
Energy: 1.9318464636780195
Energy: 1.6092836747363215
Energy: 1.894400976550714
Energy: 1.6130586543478411
Energy: 1.8944009765522025
Energy: 1.609283674735825
Energy: 1.8944009765522025
Energy: 1.468915512659191
Energy: 1.9288455873952512
Energy: 1.5963121711664348
Energy: 1.9288455873957477
Energy: 1.4689155126596873
Energy: 1.928845587396244
Energy: 1.5274704134221437
Energy: 1.4712079163674834
Energy: 1.705841551092949
Energy: 1.4712079163699645
Energy: 1.5274704134226398
Energy: 1.4712079163699645
Energy: 1.4167092829627634
Energy: 1.9800368572801699
Energy: 1.6232222672483672
Energy: 1.9800368572826506
Energy: 1.4167092829651995
Energy: 1.9800368572826506
Energy: 1.615478011005216
Energy: 1.8826510881141996
Energy: 1.5749667127988358
Energy: 1.8826510881132072
Energy: 1.615478011005216
Energy: 1.8826510881132072
Energy: 1.873860097012049
Energy: 1.9742883801728384
Energy: 2.1586759995936724
Energy: 1.97428838017135
Energy: 1.8738600970110562
Energy: 1.974288380171846
Energy: 1.5276413127952955
Energy: 1.4760781933595077
Energy: 1.599404381760437
Energy: 1.476078193360004
Energy: 1.5276413127957917
Energy: 1.476078193360004
Energy: 1.4792032928785486
Energy: 1.9792937591298678
Energy: 1.6224532556728373
Energy: 1.9792937591298678
Energy: 1.479203292879541
Energy: 1.9792937591298678
Energy: 1.6156293008550338
Energy: 1.8827449222657644
Energy: 1.5727339622889673
Energy: 1.882744922264772
Energy: 1.6156293008555302
Energy: 1.882744922264772
Energy: 1.5248427763790224
Energy: 1.9739006417875504
Energy: 1.5956746537534297
Energy: 1.9739006417880467
Energy: 1.524842776380511
Energy: 1.9739006417880467
Energy: 1.5272424261542763
Energy: 1.8513911174757947
Energy: 1.5312657209409488
Energy: 1.851391117476787
Energy: 1.527242426151299
Energy: 1.851391117476787
Energy: 1.524879396884547
Energy: 1.978669851343848
Energy: 1.616645707575586
Energy: 1.9786698513413667
Energy: 1.5248793968850434
Energy: 1.978669851341863

minimum gb energy = -2.9280537677241223 eV
minimum distance =  2.53760690770633 Angstroms
sigma value = 67


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

Energy: 0.3516032306861795
Energy: 0.3503185873285722
Energy: -1.8798435245559715
Energy: 0.35031858732958976
Energy: 0.3516032306855388
Energy: 0.35031858732925053
Energy: -0.4720796754674259
Energy: -1.8608282928884763
Energy: 0.12415415664620379
Energy: -1.860828292886479
Energy: -0.4719564368736144
Energy: -1.8608282928868183
Energy: 0.35160323068486043
Energy: 0.35031858732891136
Energy: -0.37091866950917823
Energy: 0.35031858732989124
Energy: 0.35160323068486043
Energy: 0.35031858732989124
Energy: -0.4721204211486782
Energy: -1.8608282928871573
Energy: 0.18731635394206358
Energy: -1.86082829288614
Energy: -0.47192992686424867
Energy: -1.86082829288614
Energy: 0.3516032306851996
Energy: 0.3503185873285722
Energy: -0.37091866951181635
Energy: 0.35031858732891136
Energy: 0.3516032306855388
Energy: 0.35031858732925053
Energy: -0.4721711078027741
Energy: -1.8608282928881372
Energy: 0.1894479767996361
Energy: -1.8608282928854991
Energy: -0.4719966149106925
Energy: -1.860828292886479
Energy: 0.3516032306851996
Energy: 0.35031858732925053
Energy: -1.577721761096816
Energy: 0.35031858732958976
Energy: 0.35160323068486043
Energy: 0.35031858732989124

minimum gb energy = -1.8798435245559715 eV
minimum distance =  2.66928881164073 Angstroms
sigma value = 3


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

Energy: 1.5430632893104765
Energy: 1.9784216716225616
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Energy: 1.9784216716189513
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minimum gb energy = -3.830498458696563 eV
minimum distance =  2.54220516083794 Angstroms
sigma value = 81


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

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Energy: 1.6256744219838881
Energy: 2.240191603242301

minimum gb energy = -1.9513524829128606 eV
minimum distance =  2.53967476193517 Angstroms
sigma value = 43


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

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Energy: -1.0591174019171576
Energy: 0.4020634165863289
Energy: -0.7907072501275167
Energy: 0.40206341593611766
Energy: 0.027747878647100193
Energy: -0.6184676970671995
Energy: 0.8420035509636636
Energy: -0.6184677091889119
Energy: 0.027747818119879572
Energy: -0.6184677072572303
Energy: -0.783592686385236
Energy: 0.8271965311248518
Energy: -1.2257919793073175
Energy: 0.8271965309453961
Energy: -0.7962719907363603
Energy: 0.8271965304031558
Energy: -1.7404011863601518
Energy: 0.8925877739776363
Energy: 0.5541574283376702
Energy: 0.8925877496117502
Energy: -1.720867299513698
Energy: 0.8925876824026856
Energy: 0.31696620527002667
Energy: 2.610653503567392
Energy: 0.5415201077984898
Energy: 2.6106535035696745
Energy: 0.3163987464166733
Energy: 2.610653503568914
Energy: 0.01778691919822302
Energy: 0.556053165734282
Energy: 1.7418327643963671
Energy: 0.5560531657502598
Energy: 0.018151188712671636
Energy: 0.5560531657304778
Energy: -0.793942309033403
Energy: 2.7312603852705513
Energy: 0.8474665357710199
Energy: 2.731260385271312
Energy: -0.7939102567617906
Energy: 2.731260385271312
Energy: -0.788266612470079
Energy: 0.41552545456160755
Energy: -1.0580253482881705
Energy: 0.41552545497685595
Energy: -0.788109599485146
Energy: 0.4155254551137389
Energy: -0.7879363089263204
Energy: 2.584625301583359
Energy: -0.7911365981720175
Energy: 2.5846253015848806
Energy: -0.7879336037872088
Energy: 2.5846253015856413
Energy: -1.0616612241826993
Energy: 2.5062611320402457
Energy: -0.786278222449649
Energy: 2.506261132038724
Energy: -1.0616620002825425
Energy: 2.506261132038724
Energy: -1.0613357360644866
Energy: 2.7314489581496844
Energy: 2.062634081836994
Energy: 2.731448958151967
Energy: -1.0613561466502044
Energy: 2.731448958151967
Energy: -1.1008682945276949
Energy: 0.5086739980140995
Energy: -1.910771550387115
Energy: 0.5086738959456791
Energy: -1.1008397565093793
Energy: 0.5086737069155528
Energy: 0.5305313554818465
Energy: 2.5817782184794384
Energy: 1.695926539696682
Energy: 2.581778218480199
Energy: 0.5305313554826072
Energy: 2.581778218480199
Energy: 0.5617210720031811
Energy: 2.5661533811671995
Energy: 1.6780300188854904
Energy: 2.56615338116796
Energy: 0.5617210719970943
Energy: 2.56615338116796
Energy: 0.4170628320212617
Energy: 0.8450627540045715
Energy: 2.0634560532217234
Energy: 0.8450627542479382
Energy: 0.41706283199387134
Energy: 0.8450627532904493
Energy: 0.8104030277779193
Energy: 1.7468768418902214
Energy: -0.786605415496345
Energy: 1.7468768418887
Energy: 0.8104030278380262
Energy: 1.7468768418894607
Energy: -0.769062614406185
Energy: 2.5219565177502736
Energy: -0.7923646775867256
Energy: 2.521956517753317
Energy: -0.7690626144137933
Energy: 2.521956517754839

minimum gb energy = -1.910771550387115 eV
minimum distance =  2.54544760787176 Angstroms
sigma value = 57


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

Energy: 2.0083859660660193
Energy: 1.9618524496187437
Energy: -0.9374497087464334
Energy: 1.9618524496197287
Energy: 2.0083859660670043
Energy: 1.9618524496197287
Energy: 1.9524036868888586
Energy: 2.227092140817421
Energy: 1.950134922803388
Energy: 2.227092140819391
Energy: 1.9524036868908288
Energy: 2.227092140818406
Energy: 1.9485683069450415
Energy: 2.883081230875668
Energy: 2.029268675407995
Energy: 2.8830812308697573
Energy: 1.9485683069450415
Energy: 2.883081230868772
Energy: 1.9967417624558088
Energy: 2.0234790476642353
Energy: 1.9502082832661547
Energy: 2.023479047662265
Energy: 1.9967417624548238
Energy: 2.0234790476632503
Energy: 1.9492731835512862
Energy: 2.0231336595919798
Energy: 1.9890028368297334
Energy: 2.023133659592965
Energy: 1.9492731835522714
Energy: 2.0231336595919798
Energy: 2.0332754256234895
Energy: 2.0342072499902857
Energy: 1.9496387279353182
Energy: 2.034207249997181
Energy: 2.0332754256244745
Energy: 2.034207249995211
Energy: 2.025888660917672
Energy: 2.032777182583143
Energy: 1.9543966754454265
Energy: 2.0327771825851135
Energy: 2.0258886609157014
Energy: 2.0327771825851135
Energy: 2.02999464604117
Energy: 1.9691302437387048
Energy: 2.008992570407938
Energy: 1.9691302437396454
Energy: 2.029994646040185
Energy: 1.9691302437377196
Energy: 1.9499740963961585
Energy: 2.226113179247137
Energy: 1.9942444739670755
Energy: 2.2261131792461515
Energy: 1.9499740963961585
Energy: 2.226113179247137
Energy: 2.0292177490559578
Energy: 2.950709827643431
Energy: 1.948670318486136
Energy: 2.950709827643431
Energy: 2.0292177490549728
Energy: 2.950709827645402
Energy: 2.0256364647349825
Energy: 2.0240245375970236
Energy: 2.0286961425536716
Energy: 2.024024537600964
Energy: 2.025636464733997
Energy: 2.024024537600964
Energy: 1.954615981592028
Energy: 1.961518091272731
Energy: 1.9495127670325094
Energy: 1.961518091272731
Energy: 1.954615981592028
Energy: 1.961518091272731
Energy: 1.9512639572160733
Energy: 2.8496935583499936
Energy: 2.1126594137219765
Energy: 2.849693558349008
Energy: 1.9512639572170583
Energy: 2.8496935583509786
Energy: 1.9550627347695533
Energy: 2.9665188480502866
Energy: 2.0262803505161036
Energy: 2.9665188480522566
Energy: 1.9550627347695533
Energy: 2.9665188480512716
Energy: 1.9529879162164623
Energy: 1.969217475264006
Energy: 2.0270105319930485
Energy: 1.9692174752669167
Energy: 1.952987916217448
Energy: 1.9692174752630207
Energy: 1.9552818496285056
Energy: 2.0329257390726903
Energy: 1.9504635044818117
Energy: 2.0329257390638245
Energy: 1.9552818496265354
Energy: 2.0329257390657944
Energy: 1.9518755678946262
Energy: 1.960391876727102
Energy: 2.026843061035543
Energy: 1.9603918767290722
Energy: 1.9518755678946262
Energy: 1.9603918767300572
Energy: 2.026925145818682
Energy: 2.109525669429729
Energy: 2.026937820881782
Energy: 2.109525669430714
Energy: 2.026925145818682
Energy: 2.109525669430714
Energy: 2.026811740506098
Energy: 1.9607569866818815
Energy: 1.9518355774274616
Energy: 1.9607569866828665
Energy: 2.026811740506098
Energy: 1.9607569866818815
Energy: 1.9510591198550122
Energy: 2.033070860375714
Energy: 1.9552864327092472
Energy: 2.033070860375714
Energy: 1.9510591198540272
Energy: 2.0330708603796097
Energy: 2.027006495609497
Energy: 1.969030363357887
Energy: 1.954343863112998
Energy: 1.9690303633569017
Energy: 2.027006495608512
Energy: 1.9690303633569017
Energy: 2.025949043837023
Energy: 2.0323999023931636
Energy: 1.9544204273444645
Energy: 2.0323999023922235
Energy: 2.025949043838008
Energy: 2.0323999023931636
Energy: 2.2439220741487267
Energy: 2.848911847613617
Energy: 1.9511380782919965
Energy: 2.848911847618542
Energy: 2.2439220741497117
Energy: 2.848911847610661
Energy: 1.9505647479212591
Energy: 1.961859062544604
Energy: 1.9556638600941891
Energy: 1.9618590625436183
Energy: 1.950564747918304
Energy: 1.9618590625436183

minimum gb energy = -0.9374497087464334 eV
minimum distance =  2.55679107947422 Angstroms
sigma value = 17


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

Energy: 2.33537305036846
Energy: 2.3496567677271964
Energy: -0.37623440866209795
Energy: 2.349656767725803
Energy: 2.33537305036846
Energy: 2.349656767725803
Energy: 2.2720473515163753
Energy: 2.3014186834988775
Energy: 2.305313477254651
Energy: 2.3014186834988775
Energy: 2.272047351513589
Energy: 2.3014186834988775
Energy: 2.305638694808098
Energy: 2.3009410507915744
Energy: 2.307756661102117
Energy: 2.3009410507901813
Energy: 2.305638694808098
Energy: 2.3009410507915744
Energy: 2.3195039375508966
Energy: 2.3012065586826496
Energy: 2.305982637200484
Energy: 2.3012065586812565
Energy: 2.3195039375508966
Energy: 2.3012065586812565
Energy: 2.305797317182689
Energy: 2.30181078760104
Energy: 2.2749685775987896
Energy: 2.3018107875996465
Energy: 2.305797317182689
Energy: 2.30181078760104
Energy: 2.316929369969149
Energy: 2.3495715845400604
Energy: 2.3364182075376134
Energy: 2.349571584541454
Energy: 2.316929369969149
Energy: 2.3495715845400604
Energy: 2.3054457944687483
Energy: 2.5605215024019303
Energy: 2.2740739905499163
Energy: 2.5605215024033234
Energy: 2.305445794467355
Energy: 2.5605215024033234
Energy: 2.3133174889648807
Energy: 2.3421015619623486
Energy: 2.3065378407637462
Energy: 2.3421015619595624
Energy: 2.3133174889648807
Energy: 2.3421015619623486
Energy: 2.305989429133876
Energy: 2.302086576038332
Energy: 2.439851827408278
Energy: 2.302086576038332
Energy: 2.305989429133876
Energy: 2.302086576038332
Energy: 2.3376475410491913
Energy: 2.272672977830831
Energy: 2.306432780378319
Energy: 2.272672977833617
Energy: 2.3376475410505844
Energy: 2.272672977832224
Energy: 2.3396481940360037
Energy: 2.310642968411746
Energy: 2.3132231084903405
Energy: 2.3106429684075662
Energy: 2.3396481940360037
Energy: 2.3106429684159258
Energy: 2.3122248655258053
Energy: 2.305969476683969
Energy: 2.306964935712421
Energy: 2.305969476683969
Energy: 2.3122248655258053
Energy: 2.305969476685362
Energy: 2.3070762868002554
Energy: 2.5702413570563687
Energy: 2.311494216454485
Energy: 2.5702413570549756
Energy: 2.307076286801649
Energy: 2.5702413570549756
Energy: 2.311556074466955
Energy: 2.303153080100682
Energy: 2.3070258025747075
Energy: 2.303153080100682
Energy: 2.311556074466955
Energy: 2.3031530800979274
Energy: 2.3076959717768872
Energy: 2.314259335902349
Energy: 2.335901566837311
Energy: 2.314259335903742
Energy: 2.3076959717768872
Energy: 2.3142593358939894
Energy: 2.3101288929753845
Energy: 2.313748504420046
Energy: 2.3435033361721778
Energy: 2.3137485044395185
Energy: 2.310128892976778
Energy: 2.3137485044186525
Energy: 2.3091494001806336
Energy: 2.3045878970038043
Energy: 2.3091974643243556
Energy: 2.3045878970024116
Energy: 2.3091494001806336
Energy: 2.3045878970024116

minimum gb energy = -0.37623440866209795 eV
minimum distance =  2.53197759481923 Angstroms
sigma value = 17


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

Energy: 3.527900439428342
Energy: 2.150925546067815
Energy: 3.593210644579894
Energy: 2.1509255460635113
Energy: 3.52790043942888
Energy: 2.150925546064587
Energy: 2.841687070692796
Energy: 2.107877158578557
Energy: 2.10309296849723
Energy: 2.107877158579095
Energy: 2.8416870706906443
Energy: 2.1078771585796328
Energy: 2.148677069608377
Energy: 2.4920920512260056
Energy: 2.7664476467277903
Energy: 2.4920920512286964
Energy: 2.1486770696105286
Energy: 2.492092051227082
Energy: 2.111771371916843
Energy: 2.105357876213574
Energy: 2.5185033360156797
Energy: 2.1053578762141116
Energy: 2.1117713719184574
Energy: 2.1053578762146494
Energy: 2.1035533636240404
Energy: 2.1675893663924053
Energy: 2.9940834762699353
Energy: 2.1675893663918675
Energy: 2.1035533636240404
Energy: 2.1675893663918675
Energy: 2.4979284468482863
Energy: 2.1498871450644677
Energy: 2.6160712609657666
Energy: 2.149887145048866
Energy: 2.4979284468482863
Energy: 2.1498871450596257
Energy: 2.1033290646603024
Energy: 2.4977712037470683
Energy: 2.782500440977084
Energy: 2.4977712037443784
Energy: 2.1033290646603024
Energy: 2.4977712037438407
Energy: 2.806499682203129
Energy: 2.104974826734848
Energy: 2.1028391642834348
Energy: 2.1049748267337725
Energy: 2.806499682210661
Energy: 2.1049748267326964
Energy: 2.6103979802088295
Energy: 2.1495570481194806
Energy: 2.1107591394201894
Energy: 2.1495570481178667
Energy: 2.6103979802082913
Energy: 2.1495570481184045
Energy: 2.773320327456172
Energy: 2.167828785833861
Energy: 2.1039606241665987
Energy: 2.167828785833323
Energy: 2.773320327459938
Energy: -1.2318146810590662
Energy: 2.5205142390951103
Energy: 2.784614046398333
Energy: 2.4932256444018637
Energy: 2.7846140463945677
Energy: 2.520514239097801
Energy: 2.7846140464004856
Energy: 2.1108235873807426
Energy: 2.1087072798768576
Energy: 2.151121512743634
Energy: 2.108707279875782
Energy: 2.110823587379129
Energy: 2.1087072798768576
Energy: 2.104262560927712
Energy: 2.120795299870094
Energy: 2.5215543978681216
Energy: 2.120795299870632
Energy: 2.104262560927174
Energy: 2.120795299869556
Energy: 2.1097515318305824
Energy: 2.5045981092862473
Energy: 2.798353303579268
Energy: 2.5045981092905514
Energy: 2.109751531832196
Energy: 2.504598109288937
Energy: -1.1153240931266601
Energy: 3.166688980037219
Energy: 2.498119945163456
Energy: 3.166688980037757
Energy: -1.1153240931110582
Energy: 3.166688980037757
Energy: 2.526729706603085
Energy: 2.1064960426237156
Energy: 2.152810658390836
Energy: 2.106496042631786
Energy: 2.526729706604699
Energy: -1.0595033223183934
Energy: 2.5284401070809874
Energy: 3.1612270585716633
Energy: 2.109547792611894
Energy: 3.161227058573277
Energy: 2.5284401070836773
Energy: 3.161227058573277
Energy: 3.4723172820992714
Energy: 2.489493432999847
Energy: 2.1085886122323756
Energy: 2.489493432996619
Energy: 3.472317282101423
Energy: 2.489493432996619
Energy: -0.9802795743460294
Energy: 2.1513734425070656
Energy: 2.106881064046468
Energy: 2.1513734425032993
Energy: -0.9802795835525062
Energy: 2.15137344250599
Energy: 2.106610757991572
Energy: 2.8980896438635213
Energy: 2.106614522840632
Energy: 2.8980896438624453
Energy: 2.106610757991572
Energy: -1.0707262545134137
Energy: 2.1068792541858707
Energy: 2.1516367081208574
Energy: 2.6588918200420038
Energy: 2.1516367081262375
Energy: 2.1068792541869468
Energy: 2.1516367081262375
Energy: 2.108597932419377
Energy: 2.489299036248541
Energy: 3.471822575560201
Energy: 2.4892990362506935
Energy: 2.1085979324199147
Energy: 2.489299036248541
Energy: 2.0998073851391976
Energy: 3.1615915043263185
Energy: 2.5288366462438514
Energy: 3.16159150432847
Energy: 2.0998073851402737
Energy: 3.16159150432847
Energy: 2.1527972688267725
Energy: 2.2902909375261506
Energy: 2.527436930559188
Energy: 2.2902909375272267
Energy: 2.1527972688262347
Energy: 2.290290937526689
Energy: 2.498108418318011
Energy: 3.166689967612566
Energy: 2.1087468163817937
Energy: 3.166689967613104
Energy: 2.498108418319625
Energy: 3.166689967613104
Energy: 2.7978652886139477
Energy: 2.500606254925536
Energy: 2.1097602062702694
Energy: 2.50060625492715
Energy: 2.7978652886230937
Energy: 2.5006062549314536
Energy: 2.5174808292421513
Energy: 2.1208324516820363
Energy: 2.1042838248514206
Energy: 2.1208324516820363
Energy: 2.517480828889909
Energy: 2.1208324516814985
Energy: 2.1511440691986947
Energy: 2.108664333769118
Energy: 2.1107470046771493
Energy: 2.1086643337701942
Energy: 2.1511440691992325
Energy: 2.1086643337739606
Energy: 2.4931864225751053
Energy: 2.7848139785640247
Energy: 2.5208622478437097
Energy: 2.7848139785613344
Energy: 2.4931864225756426
Energy: 2.7848139785629487
Energy: 2.1039704265966304
Energy: 2.331060520715814
Energy: 2.773462039497422
Energy: 2.33106052071689
Energy: 2.103970426597168
Energy: 2.331060520717966
Energy: 2.110863912493683
Energy: 2.149747572894024
Energy: 2.6126199924824265
Energy: 2.1497475728902584
Energy: 2.1108639124920687
Energy: 2.1497475728907958
Energy: 2.1028352733920594
Energy: 2.1049859849244696
Energy: 2.8073135849048607
Energy: 2.10498598492716
Energy: 2.1028352733899567
Energy: 2.104985984926084
Energy: 2.7824515253805586
Energy: 2.4975940496692215
Energy: 2.103349294690847
Energy: 2.4975940496692215
Energy: 2.782451525375178
Energy: 2.4975940496692215
Energy: 2.6160284110680747
Energy: 2.149956670206863
Energy: 2.4979466768922127
Energy: 2.149956670207939
Energy: 2.616028411065922
Energy: 2.149956670206863
Energy: 2.8444540218207313
Energy: 2.1675893663854113
Energy: 2.1035564009212386
Energy: 2.1675893663859496
Energy: 2.8444540218228833
Energy: 2.1675893663854113
Energy: 2.518504642212636
Energy: 2.1055866220003607
Energy: 2.1111247739809933
Energy: 2.1055866220030506
Energy: 2.51850464221156
Energy: 2.1055866220019746
Energy: 2.766397047486658
Energy: 2.4919390942152244
Energy: 2.148654115967721
Energy: 2.491939094214686
Energy: 2.766397047484506
Energy: 2.4919390942152244
Energy: 2.103089332099056
Energy: 2.1078619121666624
Energy: 2.8416660859852327
Energy: 2.107861912166124
Energy: 2.1030893320985182
Energy: 2.1078619121666624
Energy: 2.1322694107255993
Energy: 2.150925546065663
Energy: 3.5279004394278046
Energy: 2.150925546068353
Energy: 2.1322694109536124
Energy: 2.150925546064049
Energy: 2.103092968495616
Energy: 2.107877158578019
Energy: 2.8416870706911816
Energy: 2.1078771585801714
Energy: 2.10309296849454
Energy: 2.107877158580709
Energy: 2.766447646728328
Energy: 2.492092051226544
Energy: 2.148677069612681
Energy: 2.492092051223854
Energy: 2.766447646729404
Energy: 2.492092051223854
Energy: 2.5185033360124516
Energy: 2.1053578762221328
Energy: 2.1117713719189948
Energy: 2.1053578762173397
Energy: 2.5185033360135276
Energy: 2.105357876216802
Energy: 2.9940834762667072
Energy: 2.16758936639671
Energy: 2.1035533636245787
Energy: 2.16758936639671
Energy: 2.9940834762677837
Energy: 2.167589366396171

minimum gb energy = -1.2318146810590662 eV
minimum distance =  2.55471387678684 Angstroms
sigma value = 57


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

Energy: 0.29134967067166434
Energy: -1.194591037670924
Energy: -0.4959887175438011
Energy: -1.1945909961166463
Energy: 0.29134967019098446
Energy: -1.1945910208077102
Energy: -0.9979421786967592
Energy: -2.1975142933111846
Energy: -2.1959610766032394
Energy: -2.197514293274473
Energy: -0.9979421787282947
Energy: -2.197514293312937
Energy: -0.31475974514267036
Energy: -2.167703412477078
Energy: -1.2728665493243245
Energy: -2.1677033917305195
Energy: -0.31475974513916644
Energy: -2.1677034083433595
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Energy: -0.344655929913545
Energy: -0.7227698405247183
Energy: -0.34811875768028866
Energy: -0.7227698407050926

minimum gb energy = -2.228052476671921 eV
minimum distance =  2.57397926199039 Angstroms
sigma value = 43


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

Energy: 2.8972363041362814
Energy: 2.4073843393235865
Energy: 4.009175772607573
Energy: 2.4073843393235865
Energy: 2.8972363041369196
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Energy: 2.7444610421345694
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Energy: 2.3114878735442477
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Energy: 2.657767320831322
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Energy: 3.4908332529851003
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Energy: 3.0673546600135317
Energy: 2.3217919247970604
Energy: 3.067354660010979
Energy: 2.7468937230352095
Energy: 3.067354660011617
Energy: 2.3150182145190077
Energy: 2.661110022610672
Energy: 2.316642523761621
Energy: 2.661110022613863
Energy: 2.3150182145209226
Energy: 2.661110022590248
Energy: 2.3116285706761035
Energy: 2.9704235130498526
Energy: 2.7469998263420736
Energy: 2.9704235130524057
Energy: 2.311628570674827
Energy: 2.9704235130517676
Energy: 2.3203717641693236
Energy: 2.350235761033207
Energy: 2.7519077151608196
Energy: 2.3502357610325695
Energy: 2.3203717641699617
Energy: 2.350235761031931
Energy: 2.3122198284542956
Energy: 2.648989356875
Energy: 2.320896435140914
Energy: 2.648989356875
Energy: 2.3122198284536575
Energy: 2.648989356875
Energy: 2.7434443100551507
Energy: 3.066673889581837
Energy: 2.3169321166541823
Energy: 3.0666738895837518
Energy: 2.7434443100525976
Energy: 3.06667388958439

minimum gb energy = 2.303288199641922 eV
minimum distance =  2.55088294578298 Angstroms
sigma value = 81


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

Energy: 2.6489463984783446
Energy: 2.650669747397247
Energy: 5.298313790935708
Energy: 2.650669747395595
Energy: 2.648946398478131
Energy: 2.650669747396767
Energy: 2.6495263999693854
Energy: 2.650025739687376
Energy: 2.649435127946541
Energy: 2.650025739686443
Energy: 2.6495263999707976
Energy: 2.6500257396869222
Energy: 2.649549640416542
Energy: 2.6498849936169315
Energy: 0.9948776321188287
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Energy: 2.6495496404163292
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Energy: 2.6506697473934895
Energy: 2.6489463984778916
Energy: 2.650669747395142
Energy: 5.298313790935229
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Energy: 2.6494351279432626
Energy: 2.6500257396876155
Energy: 2.649526399973836
Energy: 2.6500257396894806
Energy: 2.649435127943956
Energy: 2.650025739689028
Energy: 4.101460262949736
Energy: 2.6498849936181044
Energy: 2.649549640416782
Energy: 2.649884993618797
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Energy: 2.6498849936181044
Energy: 2.648946398478131
Energy: 2.6506697473920773
Energy: 1.0111837703072202
Energy: 2.6506697473965275
Energy: 2.6489463984778916
Energy: 2.6506697473953547
Energy: 2.649526399976181
Energy: 2.650025739688548
Energy: 2.6494351279467803
Energy: 2.6500257396876155
Energy: 2.6495263999724497
Energy: 2.6500257396883082
Energy: 2.649549640416542
Energy: 2.649884993616692
Energy: 4.101460262949257
Energy: 2.6498849936176243
Energy: 2.649549640416782
Energy: 2.6498849936169315
Energy: 3.1130409156475656
Energy: 2.650669747396074
Energy: 2.648946398478131
Energy: 2.650669747394902
Energy: 3.113040915650603
Energy: 2.650669747394662

minimum gb energy = 0.9948776321188287 eV
minimum distance =  2.52489142525215 Angstroms
sigma value = 3


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

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Energy: 0.07111766401046032
Energy: 0.3281440501848206
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Energy: 0.07817823136744022
Energy: 0.5576308146351125
Energy: 0.19730627744136178
Energy: 0.3793673780414424
Energy: 0.10528388304487403
Energy: 0.3793673780996576
Energy: 0.1973056169172256
Energy: 0.37936737814527277

minimum gb energy = -0.9721460368746382 eV
minimum distance =  2.52057435842396 Angstroms
sigma value = 67


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

Energy: -0.8398438140972381
Energy: 0.6277653379488387
Energy: 3.263802472494523
Energy: 0.6277510695151769
Energy: -0.8398440377088779
Energy: 0.6277548312876434
Energy: -1.070084429110661
Energy: -0.0195472242193601
Energy: -0.6630795768387713
Energy: -0.019547224364261387
Energy: -1.0766011622965839
Energy: -0.019547224390259986
Energy: -0.4004278077286722
Energy: 1.7757814557207081
Energy: 1.528433834964368
Energy: 1.7757814557207081
Energy: -0.4004278076597214
Energy: 1.7757814557187537
Energy: -0.3524600737774513
Energy: 0.3510330252594151
Energy: -0.5628324642767041
Energy: 0.35035302113304345
Energy: -0.3524603572552763
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Energy: 1.6966120464928198
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Energy: -0.28615535623530874
Energy: 1.6966120465507712
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Energy: 0.7113618675011202
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Energy: -0.07377213982460055
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Energy: -0.33377052994469514
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Energy: -0.37094408888706765
Energy: -0.35822683526016924
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Energy: -0.43007526890278813
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Energy: -0.7534490773716032
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Energy: -0.8111859702723839
Energy: 0.7629398984792127
Energy: -0.20542245587045602
Energy: 0.7629387631156725
Energy: -0.8111861329943483
Energy: 0.7629682540607988
Energy: -0.7193437569006763
Energy: 0.00970473477974846
Energy: -0.5885097183805518
Energy: 0.009704734242004692
Energy: -0.7193437461929802
Energy: 0.009704734397950839
Energy: 2.1915969142017317
Energy: 0.5412312250215731
Energy: 1.9397526824868898
Energy: 0.5412275371243555
Energy: 2.191596913184241
Energy: 0.5412327651385437
Energy: -0.847800186188543
Energy: -0.1014506450010279
Energy: -0.7595681247780647
Energy: -0.10145064446328414
Energy: -0.8478134622534642
Energy: -0.10145064505797939
Energy: -0.11513692039793764
Energy: -0.46970993993784954
Energy: 2.154181072631536
Energy: -0.46966043710163086
Energy: -0.11496002970494631
Energy: -0.46968262291206253

minimum gb energy = -1.0766011622965839 eV
minimum distance =  2.48745391825431 Angstroms
sigma value = 33


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

Energy: 2.6413830573917143
Energy: 1.249932028749827
Energy: 3.336962907578019
Energy: 1.2499320287479239
Energy: 2.6413830573910797
Energy: 1.2499320287238185
Energy: 1.3591614288605554
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Energy: 1.3458060483243797
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Energy: 2.5402132011620067
Energy: 1.3566665950472567
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Energy: 1.5904410729781346
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Energy: 2.4605922821818815
Energy: 1.9391834690319114
Energy: 2.5123591611733174
Energy: 1.9391834690312773
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Energy: 2.0170010900095843
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Energy: 0.4291207234139513
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Energy: 2.0900093837200964
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Energy: 1.3546476362706126
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Energy: 1.3574240895400955
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Energy: 2.0267768063984164
Energy: 2.5040339643375935
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Energy: 1.4137289660149004
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Energy: 2.0365257949633695
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Energy: 1.9341413817741928
Energy: 1.4334494427442976
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Energy: 1.351114469285514
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Energy: 1.4336183301998855
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Energy: 1.3527530771641447
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Energy: 1.3497266094388338
Energy: 2.086102469198455
Energy: 1.3527530771641447
Energy: 2.086102469195918
Energy: 1.9389464204922686
Energy: 1.337768052488892
Energy: 2.4567494770314187
Energy: 1.3377680524882576
Energy: 1.9389464204884623
Energy: 1.3377680524882576
Energy: 1.354019569993842
Energy: 2.528987253522492
Energy: 2.067553615386736
Energy: 2.528987253523127
Energy: 1.354019569993842
Energy: 2.528987253523127
Energy: 1.3595478709229425
Energy: 1.5784099324184997
Energy: 1.3516004048154355
Energy: 1.5784099324197687
Energy: 1.3595478708272137
Energy: 1.578409932419134
Energy: 1.3453819523238153
Energy: 2.623611594166292
Energy: 1.36616614112906
Energy: 2.623611594166292
Energy: 1.3453819523231814
Energy: 2.6236115941669262
Energy: 2.611837223071964
Energy: 1.2496325316289714
Energy: 2.5004831025689276
Energy: 1.249632531657517
Energy: 2.611837223072598
Energy: 1.2496325316460988
Energy: 1.3493932730982876
Energy: 2.73371119082716
Energy: 1.3576471683230567
Energy: 2.7337111908265257
Energy: 1.349393273098922
Energy: 2.7337111908258915

minimum gb energy = 0.4291207232941175 eV
minimum distance =  2.49197968690034 Angstroms
sigma value = 41


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

Energy: -0.28081963946252764
Energy: 0.29140779404292727
Energy: 3.617273366383596
Energy: 0.29140779404292727
Energy: -0.28081027834583117
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Energy: 2.4582132112952975
Energy: 0.006514604692779353
Energy: 0.06900304396794228
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Energy: 2.4584905040057383
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Energy: 2.669711322260564
Energy: 0.006469794894628206
Energy: 0.07330309023355494
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Energy: 0.05602670007560691
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Energy: 0.050858429353383354
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Energy: 0.07307204231043618
Energy: 0.007380226307313231
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Energy: 2.4743209692553205
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Energy: 0.07105302557166963
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Energy: -0.1932535219487994
Energy: -0.27557505815139116
Energy: 0.2820836682013597
Energy: 0.05728743395806032
Energy: 0.28208366819962777
Energy: -0.27557119393766805
Energy: 0.28208366820309166
Energy: 2.4829240907935834
Energy: 0.007082085051924104
Energy: 0.07278791068661389
Energy: 0.007082085044996274
Energy: 2.4829231141988983
Energy: 0.007082085053656062
Energy: -0.26733376314484564
Energy: 1.2618043840281343
Energy: 1.9336794700010083
Energy: 1.2618043840125468
Energy: -0.2673298701379584
Energy: 1.2618043840264024
Energy: 2.483467450917553
Energy: 0.006495066169416372
Energy: 0.07110578555045774
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Energy: 2.4834669956582256
Energy: 0.00649506617114833
Energy: -0.2755575796506802
Energy: 0.28860465356005455
Energy: 0.0588370504222905
Energy: 0.28860465356005455
Energy: -0.2755541120210666
Energy: 0.2886046535635185

minimum gb energy = -0.28325133277452563 eV
minimum distance =  2.65330290273261 Angstroms
sigma value = 11


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

Energy: 3.469467099294956
Energy: 2.1112195216147196
Energy: 2.2997947006048762
Energy: 2.1112195216147196
Energy: 3.469467099295717
Energy: 2.1112195216246104
Energy: 2.12481756625655
Energy: 2.22466358109842
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Energy: 2.1206381300143553
Energy: 2.157594518007766
Energy: 2.2304749590579207
Energy: 2.1746298852422057
Energy: 2.1104920618241345
Energy: 2.1746298852422057
Energy: 2.2304749590594426
Energy: 2.1746298852422057
Energy: 2.125392327104734
Energy: 2.222369112918858
Energy: 2.240786633567894
Energy: 2.2223691129196186
Energy: 2.125392327104734
Energy: 2.2223691129196186
Energy: 2.115154588816139
Energy: 2.2341651987498676
Energy: 2.124589984861843
Energy: 2.234165198750629
Energy: 2.1151545888115737
Energy: 2.234165198750629
Energy: 2.1121588477500115
Energy: 2.3095883440521727
Energy: 2.121799103150488
Energy: 2.3095883440643465
Energy: 2.1121588477492503
Energy: 2.3095883440544553

minimum gb energy = 1.966067120875992 eV
minimum distance =  2.48949357750085 Angstroms
sigma value = 57


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

Energy: 2.800527302108883
Energy: 2.777640736880382
Energy: 3.3143854365977212
Energy: 2.777640736881736
Energy: 2.800527302108883
Energy: 2.777640736880382
Energy: 2.7580694684091522
Energy: 2.6573529674172978
Energy: 2.790754713682721
Energy: 2.7977805538237406
Energy: 2.7580694684091522
Energy: 2.7972754671677733
Energy: 2.8614073233561648
Energy: 2.8755419653515517
Energy: 2.791535928907105
Energy: 2.8755419653515517
Energy: 2.8614073233548107
Energy: 2.8755419653529053
Energy: 2.792591321314709
Energy: 3.6055517397109043
Energy: 2.7926606061495898
Energy: 2.4777495808912917
Energy: 2.7925913213174165
Energy: 2.969402940693865
Energy: 2.7915494526736344
Energy: 2.8755876330600043
Energy: 2.8611712728832766
Energy: 2.8755876330600043
Energy: 2.7915494526736344
Energy: 2.8755876330600043
Energy: 2.7913216470358675
Energy: 2.7977719571790334
Energy: 2.7587369505644945
Energy: 2.797771957180387
Energy: 2.791321647034514
Energy: 2.797771957180387
Energy: 3.3143854365977212
Energy: 2.777640736880382
Energy: 2.8005273021075294
Energy: 2.777640736880382
Energy: 3.314385436599075
Energy: 2.7776407368844436
Energy: 2.790754713682721
Energy: 2.7977805538223866
Energy: 2.758069468410506
Energy: 2.6573529674159437
Energy: 2.790754713682721
Energy: 2.7977805538223866
Energy: 2.7915359289084587
Energy: 2.8755419653515517
Energy: 2.8614073233561648
Energy: 2.8755419653501977
Energy: 2.791535928907105
Energy: 2.8755419653501977
Energy: 2.7926606061482664
Energy: 2.4777495808912917
Energy: 2.7925913213174165
Energy: 1.4545284585202884
Energy: 2.7926606061495898
Energy: 2.9369835681385474
Energy: 2.86117127288463
Energy: 2.8755876330600043
Energy: 2.7915494526736344
Energy: 2.8755876330600043
Energy: 2.86117127288463
Energy: 2.8755876330600043
Energy: 2.7587369505658486
Energy: 2.7977719571790334
Energy: 2.791321647037222
Energy: 2.7977719571790334
Energy: 2.7587369505644945
Energy: 2.7977719571790334
Energy: 2.800527302108883
Energy: 2.777640736880382
Energy: 2.4396183669430185
Energy: 2.77764073688309
Energy: 2.800527302108883
Energy: 2.777640736880382
Energy: 2.7580694684091522
Energy: 2.7977805538223866
Energy: 2.790754713682721
Energy: 2.7977805538223866
Energy: 2.758069468410506
Energy: 2.7972754671691273
Energy: 2.8614073233548107
Energy: 2.8755419653515517
Energy: 2.791535928907105
Energy: 2.8755419653515517
Energy: 2.8614073233548107
Energy: 2.8755419653515517
Energy: 2.7925913213174165
Energy: 2.4777495808912917
Energy: 2.7926606061495898
Energy: 2.936983568127716
Energy: 2.7925913213174165
Energy: 2.96941631216854
Energy: 2.791549452674988
Energy: 2.8755876330600043
Energy: 2.8611712728832766
Energy: 2.8755876330613583
Energy: 2.791549452674988
Energy: 2.8755876330600043

minimum gb energy = 1.4545284585202884 eV
minimum distance =  2.48997480400316 Angstroms
sigma value = 9


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

Energy: 2.4881227386616644
Energy: 2.417627773940332
Energy: 3.033871392758142
Energy: 2.4176277739292766
Energy: 2.48812273866277
Energy: 2.4176277739392265
Energy: 2.489851610587701
Energy: 2.3868091763352868
Energy: 2.6567673307373547
Energy: 2.3868091763319703
Energy: 2.489851610587701
Energy: 2.3868091763319703
Energy: 2.7753801007307066
Energy: 2.656091330429186
Energy: 2.6588902634547007
Energy: 2.6560913304280804
Energy: 2.7753801007296013
Energy: 2.6560913304280804
Energy: 2.7552832324628467
Energy: 2.6871027495597293
Energy: 2.5601592284417607
Energy: 2.6871027495641515
Energy: 2.7552832324628467
Energy: 2.6871027495641515
Energy: 2.3211532980092677
Energy: 2.5501470866579994
Energy: 2.5970581791039984
Energy: 2.55014708666021
Energy: 2.321153298008162
Energy: 2.5501470866613154
Energy: 2.7550336139740463
Energy: 2.8532484169758403
Energy: 2.640064506429474
Energy: 2.8532484169769456
Energy: 2.755033613971835
Energy: 2.8532484169769456
Energy: 2.7742909519443053
Energy: 2.662558636699897
Energy: 2.6399365981245926
Energy: 2.662558636699897
Energy: 2.7742909519443053
Energy: 2.662558636699897
Energy: 2.3228913390919765
Energy: 2.5417048968513947
Energy: 2.6542993258139034
Energy: 2.541704896853606
Energy: 2.3228913390919765
Energy: 2.5417048968525005
Energy: 2.323910977517079
Energy: 2.3261752792281043
Energy: 2.56474843076676
Energy: 2.3261752792292105
Energy: 2.3239109775159736
Energy: 2.3261752792303154
Energy: 2.7437524486684692
Energy: 2.6607057709754907
Energy: 2.6302932649507573
Energy: 2.6607057709765964
Energy: 2.7437524486684692
Energy: 2.6607057709754907
Energy: 2.771886600510741
Energy: 2.6801366061725718
Energy: 2.5619011879950397
Energy: 2.680136606167044
Energy: 2.771886600510741
Energy: 2.680136606167044
Energy: 2.7721341034054
Energy: 2.7074239007917087
Energy: 2.566010626720195
Energy: 2.707423900798342
Energy: 2.7721341034054
Energy: 2.707423900797236
Energy: 2.772271827989824
Energy: 2.8238012860428294
Energy: 2.564693071491475
Energy: 2.8238012860460953
Energy: 2.772271827990929
Energy: 2.8238012860460953
Energy: 2.772335415916232
Energy: 2.770669199667548
Energy: 2.565750959064117
Energy: 2.7706691996708646
Energy: 2.772335415916232
Energy: 2.7706691996697588
Energy: 2.8016569242605343
Energy: 2.7042239999358606
Energy: 2.575178266493979
Energy: 2.704223999934755
Energy: 2.8016569242605343
Energy: 2.7042239999358606
Energy: 2.5014112378084774
Energy: 2.582445961021059
Energy: 2.5669466741500044
Energy: 2.582445961015531
Energy: 2.501411237809583
Energy: 2.5824459610177426
Energy: 2.4824806020586667
Energy: 2.4949032220001
Energy: 2.565517696391847
Energy: 2.4949032220045217
Energy: 2.4824806020597716
Energy: 2.4949032220012057
Energy: 2.7725314069633273
Energy: 2.662987170524518
Energy: 2.6488092365582867
Energy: 2.6629871705212014
Energy: 2.7725314069633273
Energy: 2.6629871705223067
Energy: 2.768696748210085
Energy: 2.6561319989340726
Energy: 2.563663878552823
Energy: 2.6561319989285446
Energy: 2.768696748208979
Energy: 2.6561319989285446
Energy: 2.774349473106728
Energy: 2.8553286001334897
Energy: 2.499925651117005
Energy: 2.8553286001334897
Energy: 2.7743494731078333
Energy: 2.855328600134595
Energy: 2.769140407174936
Energy: 2.7719859833250613
Energy: 2.55911376397647
Energy: 2.7719859833239555
Energy: 2.769140407174936
Energy: 2.7719859833239555

minimum gb energy = 2.321153298008162 eV
minimum distance =  2.47826941597746 Angstroms
sigma value = 27


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

Energy: 2.8164007705350307
Energy: 2.7861267287497986
Energy: 2.8452901392795464
Energy: 2.7861267287507308
Energy: 2.8164007705350307
Energy: 2.7861267287507308
Energy: 2.729463769939792
Energy: 2.7177458343349765
Energy: 2.7296136102053175
Energy: 2.7177458343340444
Energy: 2.729463769939792
Energy: 2.7177458343340444
Energy: 2.7179477935232765
Energy: 2.718670438448046
Energy: 2.7296836624731275
Energy: 2.718670438446182
Energy: 2.7179477935214136
Energy: 2.7186704384471136
Energy: 2.730245754155378
Energy: 3.2535859284134947
Energy: 2.680636444112188
Energy: 3.2535859284144264
Energy: 2.730245754155378
Energy: 3.2535859284134947
Energy: 2.7300791551250208
Energy: 3.345081118964582
Energy: 2.7297798462436047
Energy: 3.3450811189636505
Energy: 2.730079155124089
Energy: 3.3450811189636505
Energy: 2.716935508022037
Energy: 2.717712434241372
Energy: 2.7166674323114517
Energy: 2.7177124342404397
Energy: 2.7169355080276287
Energy: 2.7177124342404397
Energy: 2.730104963432721
Energy: 3.0446717549364553
Energy: 2.729819319865657
Energy: 3.044671754938318
Energy: 2.7301049634317893
Energy: 3.044671754937387
Energy: 2.730385560994716
Energy: 3.001016397054227
Energy: 2.7296629888973403
Energy: 3.001016397054227
Energy: 2.7303855609937844
Energy: 3.001016397055159
Energy: 2.731950270879311
Energy: 3.004975207510525
Energy: 2.798064480075158
Energy: 3.004975207511457
Energy: 2.731950270879311
Energy: 3.0049752075095935
Energy: 2.7309820091273096
Energy: 2.7320323625993024
Energy: 2.8146508234689356
Energy: 2.732032362597439
Energy: 2.7309820091282413
Energy: 2.7320323625993024
Energy: 2.73097450524501
Energy: 2.7320033673816693
Energy: 2.8145643399587703
Energy: 2.732003367380738
Energy: 2.73097450524501
Energy: 2.7320033673816693
Energy: 2.7318898377286707
Energy: 3.0025202331926524
Energy: 2.7980467213515228
Energy: 3.0025202331926524
Energy: 2.7318898377286707
Energy: 3.0025202331926524
Energy: 2.730420859171005
Energy: 3.0279294372441456
Energy: 2.72969415762832
Energy: 3.0279294372394867
Energy: 2.7304208591700734
Energy: 3.027929437240418
Energy: 2.730187850278605
Energy: 3.0448695870594102
Energy: 2.729940798563522
Energy: 3.0448695870603424
Energy: 2.730187850277673
Energy: 3.0448695870603424
Energy: 2.716980171215647
Energy: 2.716562524303692
Energy: 2.7167241638315205
Energy: 2.71656252430276
Energy: 2.7169801712128514
Energy: 2.7165625242999645
Energy: 2.7300446540306
Energy: 3.3450811189580594
Energy: 2.729770316368374
Energy: 3.345081118959923
Energy: 2.730044654029668
Energy: 3.345081118958991
Energy: 2.730428390749269
Energy: 3.2535951593006143
Energy: 2.713639454748528
Energy: 3.253595159302478
Energy: 2.7304283907483375
Energy: 3.253595159302478
Energy: 2.7178921190194374
Energy: 2.717421326242247
Energy: 2.7297346060932672
Energy: 2.7174213262552924
Energy: 2.717892119020369
Energy: 2.7174213262552924
Energy: 2.729451868703891
Energy: 2.717746111542661
Energy: 2.729544980660006
Energy: 2.7177461115417287
Energy: 2.729451868703891
Energy: 2.7177461115417287
Energy: 2.8164007705350307
Energy: 2.7861267287497986
Energy: 2.828298697047693
Energy: 2.7861267287497986
Energy: 2.8164007705340985
Energy: 2.7861267287507308
Energy: 2.7294637699407236
Energy: 2.7177458343340444
Energy: 2.7296136102053175
Energy: 2.7177458343349765
Energy: 2.7294637699407236
Energy: 2.7177458343349765
Energy: 2.7179477935204814
Energy: 2.7186704384452507
Energy: 2.7296836624731275
Energy: 2.718670438440591
Energy: 2.7179477935232765
Energy: 2.7186704384377958
Energy: 2.730245754154446
Energy: 3.2535859284134947
Energy: 2.7946524429182635
Energy: 3.2535859284134947
Energy: 2.730245754154446
Energy: 3.2535859284134947
Energy: 2.730079155123157
Energy: 3.345081118964582
Energy: 2.7297798462445364
Energy: 3.345081118964582
Energy: 2.730079155123157
Energy: 3.3450811189636505
Energy: 2.716935508022037
Energy: 2.7177124342404397
Energy: 2.7166674323123834
Energy: 2.717712434241372
Energy: 2.7169355080276287
Energy: 2.7177124342404397

minimum gb energy = 2.680636444112188 eV
minimum distance =  2.54545758240018 Angstroms
sigma value = 19


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

Energy: 2.5811215334682434
Energy: 1.5589772936904371
Energy: 2.6456640393761175
Energy: 1.55897729369285
Energy: 2.5811215334682434
Energy: 1.5589772936976765
Energy: 2.4680467951774228
Energy: -0.05923117917369312
Energy: 2.3745289581333413
Energy: -0.05923117917530183
Energy: 2.4680467951774228
Energy: -0.05923117917610619
Energy: 0.8147906830839265
Energy: 2.471082085528145
Energy: 2.3733070785177284
Energy: 2.4710820855273408
Energy: 0.8147906830863396
Energy: 2.4710820855273408
Energy: 2.4695106355773677
Energy: 2.4906684426673085
Energy: 2.4723674680035104
Energy: 2.4906684426592647
Energy: 2.4695106355773677
Energy: 2.4906684426632864
Energy: 2.470007360518729
Energy: 0.5273168537692104
Energy: 2.474524328596629
Energy: 0.5273168537700148
Energy: 2.470007360518729
Energy: 0.5273168537700148
Energy: 2.456778777093654
Energy: 2.464313823442734
Energy: 2.4670814606723868
Energy: 2.464313823441125
Energy: 2.456778777093654
Energy: 2.4643138234403206
Energy: 2.4701369277027663
Energy: 2.541587054615451
Energy: 2.4693161593468758
Energy: 2.5415870546218864
Energy: 2.470136927701962
Energy: 2.541587054613879
Energy: 2.4721055765520945
Energy: 2.4651713435873353
Energy: 2.467840803665446
Energy: 2.4651713435881395
Energy: 2.4721055765520945
Energy: 2.4651713435881395
Energy: 2.4697897660536428
Energy: 2.463977116666013
Energy: -0.632110523356951
Energy: 2.4639771166684263
Energy: 2.469789766052838
Energy: 2.4639771166676216
Energy: 2.4729365222144883
Energy: 1.0467984873674856
Energy: 2.373794559632261
Energy: 1.0467984873715075
Energy: 2.4729365222144883
Energy: 1.046798487372312
Energy: 2.475017347619738
Energy: 2.3673934938507584
Energy: -0.05802574116076182
Energy: 2.3673934938507584
Energy: 2.475017347619738
Energy: 2.3673934938507584
Energy: 1.6673391341620754
Energy: 2.3766259076661
Energy: 2.3754031383369
Energy: 2.3766259076636866
Energy: 1.6673391341620754
Energy: 2.3766259076644913
Energy: 1.6443966497256084
Energy: 2.487068984024351
Energy: 2.376431452488758
Energy: 2.487068984026764
Energy: 1.6443966497248041
Energy: 2.487068984026764
Energy: 2.455487404988342
Energy: 2.367724352559752
Energy: 2.269058896867855
Energy: 2.3677243525589478
Energy: 2.4554874049867337
Energy: 2.367724352559752
Energy: 2.4773796353474693
Energy: 2.4948228276072655
Energy: 2.3767804852989705
Energy: 2.4948228276080697
Energy: 2.4773796353466655
Energy: 2.4948228276080697
Energy: 2.4767420761399848
Energy: 2.4650603623137988
Energy: -0.20980348927797823
Energy: 2.4650603623146035
Energy: 2.4767420761399848
Energy: 2.4650603623129945
Energy: 0.8079330185680212
Energy: 2.465546413831641
Energy: -0.21201778847944636
Energy: 2.465546413830837
Energy: 0.807936147396971
Energy: 2.465546413830837
Energy: 2.477264995211661
Energy: 2.5387512930913347
Energy: 2.3774815106021863
Energy: 2.5387431766129276
Energy: 2.477264995210857
Energy: 2.5387448593769046
Energy: 0.8081806456801126
Energy: 2.4654994135759347
Energy: -0.21234795691727823
Energy: 2.4654994135783475
Energy: 0.8081783069966572
Energy: 2.4654994135791517
Energy: 2.4768161847607613
Energy: 2.465266871734304
Energy: -0.20892674689609175
Energy: 2.4652668717391304
Energy: 2.4768161847607613
Energy: 2.4652668717391304
Energy: 2.477140592798141
Energy: 2.496811919263582
Energy: 2.376527146257928
Energy: 2.4968119192643865
Energy: 2.477140592798141
Energy: 2.4968119192651903
Energy: 2.4554853650822857
Energy: 2.3674188451969274
Energy: 2.2690136064596436
Energy: 2.3674188451985367
Energy: 2.4554853650822857
Energy: 2.3674188451985367
Energy: 1.661471586446335
Energy: 2.487009317439255
Energy: 2.376435337655885
Energy: 2.487009317439255
Energy: 1.6614715864471394
Energy: 2.48700931743845
Energy: 1.6462144016103664
Energy: 2.3764703588986347
Energy: 2.37540030410372
Energy: 2.3764703588986347
Energy: 1.6462144016055402
Energy: 2.3764703588986347
Energy: 2.4749946650252377
Energy: 2.3673789250621895
Energy: 2.3755099425152246
Energy: 2.367378925060581
Energy: 2.474994665026042
Energy: 2.367378925060581
Energy: 2.4729696436432222
Energy: 1.0564830283669377
Energy: 2.373741943150835
Energy: 1.0564830283661335
Energy: 2.4729696436432222
Energy: 1.0564830283669377
Energy: 2.469804613247054
Energy: 2.464424845151812
Energy: 1.348014957228968
Energy: 2.4644248451510076
Energy: 2.469804613247054
Energy: 2.4644248451502033
Energy: 2.4721548958824755
Energy: 2.465307579711079
Energy: 2.467804469985626
Energy: 2.4653075797126873
Energy: 2.4721548958832793
Energy: 2.465307579711883
Energy: 2.4702047297993506
Energy: 2.5415870546122705
Energy: 2.4695017693049173
Energy: 2.541587054615451
Energy: 2.4702047297993506
Energy: 2.541587054618669

minimum gb energy = -0.632110523356951 eV
minimum distance =  2.56037426395708 Angstroms
sigma value = 101


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

Energy: 2.465716418274979
Energy: 2.515531490327727
Energy: -1.573088948763811
Energy: 2.515531490327727
Energy: 2.4657164182763935
Energy: 2.515531490327727
Energy: 2.4617741567015203
Energy: 2.4681174767155345
Energy: 2.4872911652869405
Energy: 2.4681174767141205
Energy: 2.4617741567029343
Energy: 2.4681174767148275
Energy: 2.4889253897335832
Energy: 2.4914049384611854
Energy: 2.4906682317757767
Energy: 2.4914049384633064
Energy: 2.4889253897342907
Energy: 2.4914049384633064
Energy: 2.449605042696382
Energy: 2.636847568703565
Energy: 2.4549585475424216
Energy: 2.478107910229056
Energy: 2.449605042695674
Energy: 2.6936900879466403
Energy: 2.4918128130541577
Energy: 2.502615549855709
Energy: 2.489379378281019
Energy: 2.5026155498521736
Energy: 2.4918128130527433
Energy: 2.5026155498535876
Energy: 2.484179904086684
Energy: 2.8760881193650905
Energy: 2.4953724101396166
Energy: 2.8760881193650905
Energy: 2.4841799040852695
Energy: 2.8760881193650905
Energy: 2.491078000084955
Energy: 2.9354522836259633
Energy: 2.491886506870167
Energy: 2.9354522836273778
Energy: 2.491078000084955
Energy: 2.9354522836273778
Energy: 2.4705450229411854
Energy: 2.9331689819405744
Energy: 2.4880207819507714
Energy: 2.940400382479889
Energy: 2.4705450229418924
Energy: 2.933168981939868
Energy: 2.493123726349516
Energy: 2.876841149772467
Energy: 2.488141114088762
Energy: 2.876841149773882
Energy: 2.4931237263502224
Energy: 2.876841149773882
Energy: 2.4463289961007577
Energy: 2.699334785066634
Energy: 2.49244982316593
Energy: 2.6993347850680487
Energy: 2.4463289961021717
Energy: 2.6993347850673417
Energy: 2.4902846326580415
Energy: 2.865718493911129
Energy: 2.4813921387110396
Energy: 2.865718493911129
Energy: 2.490284632658749
Energy: 2.865718493911129
Energy: 2.487208168259838
Energy: 2.443735127829566
Energy: 2.493799649005751
Energy: 2.443735127830273
Energy: 2.487208168259838
Energy: 2.443735127832394
Energy: 2.490387280060752
Energy: 2.446541130759746
Energy: 2.4489243605089186
Energy: 2.4465411307590386
Energy: 2.490387280060752
Energy: 2.4465411307590386
Energy: 2.434010704437541
Energy: 2.4516186687258643
Energy: 2.4606036594054235
Energy: -0.6865015465591302
Energy: 2.434010704433298
Energy: 2.4516186687258643
Energy: 2.442795488859652
Energy: 2.4989501184885277
Energy: 2.4600180017435362
Energy: 2.4989501184878207
Energy: 2.442795488858238
Energy: 2.4989501184885277
Energy: 2.4865021202791975
Energy: 2.493368583253914
Energy: 2.483904207458866
Energy: 2.493368583254621
Energy: 2.4865021202799045
Energy: 2.4933685832560353
Energy: 2.492122073352159
Energy: 2.478854863288102
Energy: 2.452488193321364
Energy: 2.478854863287395
Energy: 2.492122073351452
Energy: 2.478854863288102
Energy: 2.4910365447088614
Energy: 2.958339244267727
Energy: 2.4467199722137063
Energy: 2.9583392442670196
Energy: 2.491036544709569
Energy: 2.9583392442670196
Energy: 2.437972846274248
Energy: 2.8773850238166245
Energy: 2.478773757416652
Energy: 2.8773850238152106
Energy: 2.437972846274248
Energy: 2.8773850238152106
Energy: 2.4923559525779577
Energy: 2.936267529001063
Energy: 2.4459660787237523
Energy: 2.9362675289996494
Energy: 2.4923559525779577
Energy: 2.9362675289982345
Energy: 2.5153089946273264
Energy: 2.4897089582426903
Energy: 2.4867829865390556
Energy: 2.4897089582426903
Energy: 2.5153089946273264
Energy: 2.4897089582419833
Energy: 2.4951800489430127
Energy: 2.8766848926371984
Energy: 2.4481827117130655
Energy: 2.8766848926371984
Energy: 2.4951800489415983
Energy: 2.8766848926379054
Energy: 2.463761212731044
Energy: 2.8787369521727393
Energy: 2.492964862846804
Energy: 2.8787369521727393
Energy: 2.4637612127303363
Energy: 2.8787369521720647
Energy: 2.4493566242821965
Energy: 2.48321527366688
Energy: 2.5054476232577176
Energy: 2.4832152736661732
Energy: 2.4493566242829035
Energy: 2.483215273665466
Energy: 2.492493654749828
Energy: 2.535932964158324
Energy: 2.442829845777263
Energy: 2.535932964158324
Energy: 2.492493654749121
Energy: 2.535932964159031
Energy: 2.4484345832102696
Energy: 2.4913913766376368
Energy: 2.4864437928345393
Energy: 2.491391376638344
Energy: 2.448434583210977
Energy: 2.4913913766376368
Energy: 2.460102224118775
Energy: 2.4514128342860904
Energy: 2.492725479061383
Energy: 2.451412834288919
Energy: 2.460102224118068
Energy: 2.4514128342860904
Energy: 2.4620673789665743
Energy: 2.492461677693961
Energy: 2.493005243130108
Energy: 2.4924616776960815
Energy: 2.4620673789665743
Energy: 2.4924616776953745
Energy: 2.4782577372251895
Energy: 2.4911792441851532
Energy: 2.5121814617375473
Energy: 2.4911792441837393
Energy: 2.4782577372258965
Energy: 2.4911792441837393
Energy: 2.445877408871419
Energy: 2.4625435187971836
Energy: 2.492452775532975
Energy: 2.4625435187971836
Energy: 2.4458774088721262
Energy: 2.46254351879789
Energy: 2.4518520067019147
Energy: 2.480020107864611
Energy: 2.4783376072320142
Energy: 2.480020107864611
Energy: 2.4518520067026213
Energy: 2.4800201078568334
Energy: 2.448133767936495
Energy: 2.889356495008798
Energy: 2.494046331632314
Energy: 2.8893564950101798
Energy: 2.448133767936495
Energy: 2.8893564950101798
Energy: 2.493541139286708
Energy: 3.007208442112149
Energy: 2.4638238233817735
Energy: 3.0072084421114416
Energy: 2.493541139286708
Energy: 3.0072084421114416

minimum gb energy = -1.573088948763811 eV
minimum distance =  2.5146106499886 Angstroms
sigma value = 33


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

Energy: 0.019614785741468937
Energy: 0.02110034058853587
Energy: -2.1767664825767903
Energy: 0.021100340589678194
Energy: 0.019614785741468937
Energy: 0.02110034058853587
Energy: 0.020254985883014918
Energy: 1.2297528522072358
Energy: 0.020254985882460073
Energy: 1.229752852208378
Energy: 0.020254985883014918
Energy: 1.2297528522003491
Energy: 1.4753634443486079
Energy: 0.021100340589678194
Energy: 0.019614785741468937
Energy: 0.02110034058853587
Energy: 1.4753634459281468
Energy: 0.02110034058912335
Energy: 0.020254985882460073
Energy: 1.229752852208378
Energy: 0.020254985882460073
Energy: 1.2297528522043635
Energy: 0.020254985883014918
Energy: 1.2297528522009038

minimum gb energy = -2.1767664825767903 eV
minimum distance =  2.70185318726882 Angstroms
sigma value = 1