Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014532299
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.022221047272247853
Energy: 0.6789266326484866
Energy: 0.7386316690769931
Energy: 0.67886050574164
Energy: 0.022221047272247853
Energy: 0.6789266326511253
Energy: 0.7386316690769931
Energy: 0.7379037354503714
Energy: 0.022399001393710198
Energy: 0.3640137126767459
Energy: 0.02244302126227418
Energy: 0.7379037354503714
Energy: 0.022399001393710198
Energy: 0.3640137126767459
Energy: 0.022221047272247853
Energy: 0.6789266326484866
Energy: 0.7386316690769931
Energy: 0.67886050574164
Energy: 0.022221047272247853
Energy: 0.6789266326511253
Energy: 0.7386316690769931
Energy: 0.7379037354503714
Energy: 0.022399001393710198
Energy: 0.3640137126767459
Energy: 0.0224430212596356
Energy: 0.7379037354503714
Energy: 0.022399001393710198
Energy: 0.3640137126767459
Energy: 0.022221047272247853
Energy: 0.6789266326484866
Energy: 0.7386316690769931
Energy: 0.67886050574164
Energy: 0.022221047272247853
Energy: 0.6789266326511253
Energy: 0.7386316690769931
Energy: 0.7379037354503714
Energy: 0.022399001393710198
Energy: 0.3640137126767459
Energy: 0.02244302126227418
Energy: 0.7379037354503714
Energy: 0.022399001393710198
Energy: 0.3640137126767459

minimum gb energy = 0.022221047272247853 eV
minimum distance =  2.47155950616632 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.741631683087943
Energy: 1.7355531393474886
Energy: 1.8676542860590926
Energy: 1.7359198358546999
Energy: 1.7416316830847196
Energy: 1.735553139337818
Energy: 1.8676542860622574
Energy: 1.6274016209229354
Energy: 1.6318786240349454
Energy: 1.752401983241324
Energy: 1.6627152773769323
Energy: 1.627401620919712
Energy: 1.6318786240446157
Energy: 1.752401983241324
Energy: 1.624893875018743
Energy: 1.6430543588875144
Energy: 1.8167436125995091
Energy: 1.6428924151942614
Energy: 1.624893875018743
Energy: 1.6430543588875144
Energy: 1.8167436126027328
Energy: 1.742485766896283
Energy: 1.6940824824378404
Energy: 1.808639765363137
Energy: 1.6558919233627
Energy: 1.7424857668930598
Energy: 1.6940824824410639
Energy: 1.8086397653663606
Energy: 1.63090126446427
Energy: 1.6054239853206334
Energy: 1.8546243339423876
Energy: 1.684878466751098
Energy: 1.6309012644674936
Energy: 1.6054239853238568
Energy: 1.8473884258425086
Energy: 1.6993381581188356
Energy: 1.7254675168134268
Energy: 1.6922799788343905
Energy: 1.6521168621973197
Energy: 1.6993381581285059
Energy: 1.725467516819874
Energy: 1.692279978837614
Energy: 1.6270758388200945
Energy: 1.7090628027095083
Energy: 1.9200453574417162
Energy: 1.7081944708170391
Energy: 1.6270758388265416
Energy: 1.7090628026998376
Energy: 1.9200453574417162
Energy: 1.627142091893806
Energy: 1.6490387278828555
Energy: 1.8477146553764145
Energy: 1.691135031453196
Energy: 1.6271420918970296
Energy: 1.6490387278893026
Energy: 1.847714655373191
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Energy: 1.649839273745905
Energy: 1.715544232948907
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Energy: 1.725630149322589
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Energy: 1.6319417204516684
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Energy: 1.697075376474006
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Energy: 1.6741916466220794
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Energy: 1.6931791043664262
Energy: 1.8791717217899162
Energy: 1.6720493337005755
Energy: 1.7950107707064573
Energy: 1.6931791043760969
Energy: 1.8791717217834691
Energy: 1.61746377246905
Energy: 1.6955035578096138
Energy: 1.8242938537657303
Energy: 1.6436137377592315
Energy: 1.6174637724722734
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Energy: 1.8242938537625066
Energy: 1.6435656526442661
Energy: 1.6334896921735846
Energy: 1.7779869668070585
Energy: 1.6442020831578732
Energy: 1.6435656526507136
Energy: 1.633489692170361
Energy: 1.7779869667973882
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Energy: 1.7963277752586424
Energy: 1.8919207917291894
Energy: 1.752021457408638
Energy: 1.6861070353248278
Energy: 1.7963277752586424
Energy: 1.891920791725966
Energy: 1.6351339446902957
Energy: 1.653905830773654
Energy: 1.7121537981027108
Energy: 1.6629674319609313
Energy: 1.6351339446902957
Energy: 1.6539058307768777
Energy: 1.7121537981027108
Energy: 1.629314496362455
Energy: 1.604382861848398
Energy: 1.8012243227107978
Energy: 1.6522809952146678
Energy: 1.629314496362455
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Energy: 1.8012243227140214
Energy: 1.6630058746921421
Energy: 1.6433589845138221
Energy: 1.8467970487509833
Energy: 1.6509073254460702
Energy: 1.6630058746824716
Energy: 1.6433589845105985
Energy: 1.846797048754207
Energy: 1.6264643319959782
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Energy: 1.7133799229529747
Energy: 1.7009568055981408
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Energy: 1.7133799229529747
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Energy: 1.8011552488511635
Energy: 1.6525187926582874
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Energy: 1.8011552488511635
Energy: 1.6289907848890879
Energy: 1.710237229160886
Energy: 1.905027683553913
Energy: 1.6251422745881117
Energy: 1.6289907848890879
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Energy: 1.905027683553913
Energy: 1.6382436972537788
Energy: 1.6478303413271111
Energy: 1.851753633691561
Energy: 1.6832492718301588
Energy: 1.6382436972505552
Energy: 1.647830341333558
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Energy: 1.6859430486455593
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Energy: 1.8343093965162693
Energy: 1.6438829727162638
Energy: 1.6240067983432198
Energy: 1.7270771918395997
Energy: 1.8481383651468073
Energy: 1.6626696986112253
Energy: 1.6293118739690833
Energy: 1.7503438230153947
Energy: 1.7455124409940936
Energy: 1.6626696986112253
Energy: 1.629311873978754
Energy: 1.7503438230153947
Energy: 1.727463660868766
Energy: 1.640219168064997
Energy: 1.7486403892595934
Energy: 1.6443118823785177
Energy: 1.7274636608719893
Energy: 1.640219168064997
Energy: 1.7486403892563698
Energy: 1.7416694569834796
Energy: 1.6877909003044633
Energy: 1.8398072502298184
Energy: 1.6898461607332111
Energy: 1.7416694569770328
Energy: 1.6877909002980747
Energy: 1.839807250226595
Energy: 1.6745406439631587
Energy: 1.6569138313076217
Energy: 1.8533857407428111
Energy: 1.6403023172158282
Energy: 1.6745406439663237
Energy: 1.656913831304398
Energy: 1.8533857407460346
Energy: 1.6454446859170957
Energy: 1.6828178079122789
Energy: 1.875283324882373
Energy: 1.6286093280604317
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Energy: 1.6828178079058316
Energy: 1.8752833248855967
Energy: 1.623770472784959
Energy: 1.7328217567370117
Energy: 1.868626737321228
Energy: 1.775541162571045
Energy: 1.6237704727817355
Energy: 1.7328217567370117
Energy: 1.8686267373180045
Energy: 1.6722338904710048
Energy: 1.6965172473695826
Energy: 1.678476704712772
Energy: 1.6252134606552013
Energy: 1.6722338904677811
Energy: 1.696517247366359
Energy: 1.6784767047159956
Energy: 1.6597268892850257
Energy: 1.6853744202057286
Energy: 1.9207710468332921
Energy: 1.6365581475731978
Energy: 1.6597268892850257
Energy: 1.6853744202057286
Energy: 1.920771046836516
Energy: 1.6633758964197607
Energy: 1.6263461801492927
Energy: 1.9086005125025616
Energy: 1.6897002396539493
Energy: 1.6633758964229846
Energy: 1.6263461801589634
Energy: 1.9086005125089498
Energy: 1.6251418563589963
Energy: 1.633122521066296
Energy: 1.6845045739414093
Energy: 1.7131157706464109
Energy: 1.6251418563653846
Energy: 1.6331225210630724
Energy: 1.6845045739414093
Energy: 1.6265382735229301
Energy: 1.727057118674137
Energy: 1.8576645640733949
Energy: 1.6478481500685411
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Energy: 1.727057118674137
Energy: 1.8576645640669478
Energy: 1.6198914739744408
Energy: 1.6510321175437401
Energy: 1.8191395183890577
Energy: 1.6433634595076274
Energy: 1.6198914739712174
Energy: 1.6510321175405163
Energy: 1.8191395183826105
Energy: 1.6224837369729765
Energy: 1.65529277707933
Energy: 1.7825259027480787
Energy: 1.6428489138955578
Energy: 1.6224837369729765
Energy: 1.6552927770728831
Energy: 1.7825259027545255
Energy: 1.663392624748489
Energy: 1.6658958583817944
Energy: 1.8359789019804245
Energy: 1.6699150710562964
Energy: 1.6633926247517126
Energy: 1.665895858378571
Energy: 1.8359789019868713
Energy: 1.6836940283486395
Energy: 1.8115019696091659
Energy: 1.8132462741432394
Energy: 1.7467026328196293
Energy: 1.6836940283550863
Energy: 1.8115019696123895
Energy: 1.8132462741432394
Energy: 1.6900448660921734
Energy: 1.645846770592295
Energy: 1.7783630682437834
Energy: 1.6836709834009316
Energy: 1.6900448660921734
Energy: 1.645846770592295
Energy: 1.77836306824056
Energy: 1.6814223938185835
Energy: 1.64211543514523
Energy: 1.8237072710215039
Energy: 1.6608322189706186
Energy: 1.6814223938218071
Energy: 1.6421154351549005
Energy: 1.8237072710279512
Energy: 1.7940851227235586
Energy: 1.6702668286376827
Energy: 1.8287712222757462
Energy: 1.6953612976170422
Energy: 1.7940851227267822
Energy: 1.6702668286408475
Energy: 1.8287712222757462
Energy: 1.6808953550672754
Energy: 1.689902630915879
Energy: 1.8090353086317343
Energy: 1.6986968956270792
Energy: 1.6808953550704988
Energy: 1.689902630915879
Energy: 1.8090353086285111
Energy: 1.619898032036171
Energy: 1.6446090955743145
Energy: 1.8800392161996564
Energy: 1.6573192035527435
Energy: 1.6198980320329475
Energy: 1.6446090955743145
Energy: 1.8800392162028798
Energy: 1.627095795225233
Energy: 1.7015293327200112
Energy: 1.8856090495817386
Energy: 1.7754728574518936
Energy: 1.62709579523168
Energy: 1.7015293327200112
Energy: 1.8856090495914093
Energy: 1.6047817403148315
Energy: 1.7083594932738266
Energy: 1.6951182537768454
Energy: 1.6275599216856458
Energy: 1.6047817403180549
Energy: 1.7083594932706032
Energy: 1.6951182537703984

minimum gb energy = 1.604382861848398 eV
minimum distance =  2.22209940937137 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.687751170282857
Energy: 1.6655805767365328
Energy: 1.8755382508830407
Energy: 1.665704628695595
Energy: 1.6877511702791983
Energy: 1.665580576740192
Energy: 1.915964253925654
Energy: 1.6263890251115547
Energy: 1.75614551250533
Energy: 1.769414831256924
Energy: 1.657960423627885
Energy: 1.6263890251152138
Energy: 1.756145512508989
Energy: 1.769414831256924
Energy: 1.6173225336107822
Energy: 1.634611427481426
Energy: 1.8087076640989659
Energy: 1.6340453817566165
Energy: 1.6173225336107822
Energy: 1.634611427477767
Energy: 1.8087076640989659
Energy: 1.6752612808605083
Energy: 1.6663315198854838
Energy: 1.8117385074251706
Energy: 1.6434233812881944
Energy: 1.6752612808531901
Energy: 1.6663315198781656
Energy: 1.8117385074324888
Energy: 1.688892145684525
Energy: 1.6529955739683364
Energy: 1.7299782255954954
Energy: 1.6456696731192237
Energy: 1.688892145684525
Energy: 1.6529955739646773
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Energy: 1.6186646148380424
Energy: 1.639790479935823
Energy: 1.7527656449847409
Energy: 1.6625659025151263
Energy: 1.6186646148380424
Energy: 1.6397904799394818
Energy: 1.7527656449847409
Energy: 1.6125112106722703
Energy: 1.687399876898831
Energy: 1.849156909692025
Energy: 1.6556490029717534
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Energy: 1.9141222941121612
Energy: 1.612010943054053
Energy: 1.6461638352530048
Energy: 1.9311889419680717
Energy: 1.692255845716418
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Energy: 1.6469749222272863
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Energy: 1.6848379599184653
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Energy: 1.6134003664575434
Energy: 1.6380034231119294
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Energy: 1.66994325144395
Energy: 1.6134003664502252
Energy: 1.6380034231082703
Energy: 1.8253069275093314
Energy: 1.625058025680723
Energy: 1.6477859048604018
Energy: 1.8319667288507713
Energy: 1.6428523939812196
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Energy: 1.647785904856743
Energy: 1.7957481105640438
Energy: 1.6343680982020368
Energy: 1.6655805767365328
Energy: 1.9061674602840126
Energy: 1.665704628695595
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Energy: 1.8087076640989659
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Energy: 1.8087076640989659
Energy: 1.6752612808605083
Energy: 1.6618038426608257
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Energy: 1.688892145684525
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Energy: 1.7527656449847409
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Energy: 1.6461638352493457
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Energy: 1.6238038823896808
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Energy: 1.6848379599148067
Energy: 1.7946575582361726
Energy: 1.674200197687685
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Energy: 1.7703604630962746
Energy: 1.633380337568545
Energy: 1.674200197687685
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Energy: 1.7949213280077094
Energy: 1.6174740436901829
Energy: 1.6380034231119294
Energy: 1.7690353328266277
Energy: 1.66994325144395
Energy: 1.6174740436901829
Energy: 1.6380034231119294
Energy: 1.7836464604970166
Energy: 1.6204973543304586
Energy: 1.6477859048604018
Energy: 1.8336621101890023
Energy: 1.6428523939848787
Energy: 1.620497354334118
Energy: 1.647785904856743
Energy: 1.802931997169888
Energy: 1.6877511702791983
Energy: 1.6655805767365328
Energy: 1.8882110487071924
Energy: 1.665704628695595
Energy: 1.6877511702791983
Energy: 1.6655805767365328
Energy: 1.8882110487071924
Energy: 1.6263890251152138
Energy: 1.75614551250533
Energy: 1.769414831256924
Energy: 1.6579604236242262
Energy: 1.6263890251115547
Energy: 1.75614551250533
Energy: 1.769414831256924
Energy: 1.6173225336107822
Energy: 1.634611427481426
Energy: 1.8087076640989659
Energy: 1.6340453817529574
Energy: 1.6173225336144412
Energy: 1.634611427477767
Energy: 1.8087076640989659
Energy: 1.6752612808605083
Energy: 1.6663315198818247
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Energy: 1.6434233812881944
Energy: 1.6752612808531901
Energy: 1.6663315198781656
Energy: 1.8117385074324888
Energy: 1.688892145684525
Energy: 1.6529955739683364
Energy: 1.8157948001417805
Energy: 1.6456696731192237
Energy: 1.688892145680866
Energy: 1.6529955739610185
Energy: 1.8157948001490987
Energy: 1.6186646148380424
Energy: 1.639790479935823
Energy: 1.7527656449847409
Energy: 1.6625659025151263
Energy: 1.6186646148380424
Energy: 1.639790479935823
Energy: 1.7527656449847409
Energy: 1.6125112106722703
Energy: 1.687399876898831
Energy: 1.9141222941085687
Energy: 1.6556490029717534
Energy: 1.6125112106722703
Energy: 1.687399876898831
Energy: 1.9915411274243775
Energy: 1.612010943054053
Energy: 1.6461638352493457
Energy: 1.9530927408735774
Energy: 1.692255845716418
Energy: 1.612010943054053
Energy: 1.6461638352530048
Energy: 1.9530927408772363
Energy: 1.6238038823860217
Energy: 1.6469749222272863
Energy: 1.7195940922022537
Energy: 1.6348745272517442
Energy: 1.6238038823860217
Energy: 1.6469749222309453
Energy: 1.7195940922022537
Energy: 1.6833195772048135
Energy: 1.6848379599221246
Energy: 1.728052610928319
Energy: 1.6347159342705828
Energy: 1.6833195772048135
Energy: 1.6848379599148067
Energy: 1.7485478925003
Energy: 1.674200197687685
Energy: 1.676380818608743
Energy: 1.7703604630998673
Energy: 1.633380337568545
Energy: 1.674200197687685
Energy: 1.6763808186050844
Energy: 1.7703604630962746
Energy: 1.6134003664575434
Energy: 1.6380034231119294
Energy: 1.7690353328229687
Energy: 1.66994325144395
Energy: 1.6134003664502252
Energy: 1.6380034231119294
Energy: 1.7840435294073729
Energy: 1.625058025680723
Energy: 1.6477859048604018
Energy: 1.819961159586786
Energy: 1.6428523939848787
Energy: 1.6250580256770644
Energy: 1.647785904856743
Energy: 1.8516957748930338
Energy: 1.6343680982020368
Energy: 1.6655805767365328
Energy: 1.8882110487108517
Energy: 1.665704628695595
Energy: 1.6343680982020368
Energy: 1.665580576740192
Energy: 1.8882110487071924
Energy: 1.6263890251115547
Energy: 1.75614551250533
Energy: 1.769414831256924
Energy: 1.6544218523025316
Energy: 1.6263890251152138
Energy: 1.756145512508989
Energy: 1.769414831256924

minimum gb energy = 1.612010943054053 eV
minimum distance =  2.23450661262617 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.7784515242709484
Energy: 1.6586294663063197
Energy: 1.808725746521938
Energy: 1.6614283602688609
Energy: 1.7784515242709484
Energy: 1.6586294663063197
Energy: 1.8253175431901727
Energy: 1.723913209195102
Energy: 1.6461860335630072
Energy: 1.7470515202668495
Energy: 1.6597669493386056
Energy: 1.7239132091938343
Energy: 1.6461860335630072
Energy: 1.7470515202664274
Energy: 1.6770723884662644
Energy: 1.713531117175669
Energy: 1.881314648942274
Energy: 1.690810391812884
Energy: 1.6770723884666867
Energy: 1.7135311171782044
Energy: 1.8498876511320406
Energy: 1.6815013120187579
Energy: 1.6584312949487312
Energy: 1.8397556523596423
Energy: 1.7109157657936944
Energy: 1.681501312017913
Energy: 1.6584312949470412
Energy: 1.839755652360065
Energy: 1.689401533410807
Energy: 1.6800791268686743
Energy: 1.834170932322299
Energy: 1.6983460517220044
Energy: 1.689401533409962
Energy: 1.6800791268674067
Energy: 1.8341709323239892
Energy: 1.714422464237656
Energy: 1.636327076815981
Energy: 1.6968017573852914
Energy: 1.6368104926687335
Energy: 1.714422464240191
Energy: 1.6363270768164035
Energy: 1.6968017573852914
Energy: 1.7016106299069176
Energy: 1.7761853722116718
Energy: 1.8360073796015244
Energy: 1.700161802618174
Energy: 1.7016106299069176
Energy: 1.7761853722116718
Energy: 1.8360073796002567
Energy: 1.703964253640186
Energy: 1.673398852486408
Energy: 1.7476122645037038
Energy: 1.707456253213586
Energy: 1.7039642536389183
Energy: 1.673398852486408
Energy: 1.7476122644990564
Energy: 1.6888748172073662
Energy: 1.6446395519598227
Energy: 1.813549798964125
Energy: 1.6500891429535662
Energy: 1.6888748172069439
Energy: 1.6446395519589776
Energy: 1.8431361209731556
Energy: 1.6934824151751589
Energy: 1.7160828902400909
Energy: 1.8652193337473393
Energy: 1.7246484369242987
Energy: 1.6934824151751589
Energy: 1.7160828902396683
Energy: 1.8652193337464944
Energy: 1.765971649800162
Energy: 1.723014269625019
Energy: 1.835210867147331
Energy: 1.6517701101136744
Energy: 1.765971649799317
Energy: 1.723014269625864
Energy: 1.835210867147331
Energy: 1.7145706862891676
Energy: 1.7252133511657652
Energy: 1.7830752225685713
Energy: 1.7022328749574094
Energy: 1.714570686288745
Energy: 1.7252133511657652
Energy: 1.7830752225694162
Energy: 1.6737710487783053
Energy: 1.6394652787329367
Energy: 1.8054903713850574
Energy: 1.7014414604773478
Energy: 1.6737710487787278
Energy: 1.6394652787342046
Energy: 1.80549037138548
Energy: 1.6786124214791243
Energy: 1.720139866187899
Energy: 1.7408360149906679
Energy: 1.7128015780996453
Energy: 1.6786124214816593
Energy: 1.720139866187054
Energy: 1.7408360149910904
Energy: 1.734705638834016
Energy: 1.661006182606369
Energy: 1.7694102520598054
Energy: 1.665851579319119
Energy: 1.7347056388331712
Energy: 1.661006182608059
Energy: 1.7694102520598054
Energy: 1.7390780849524592
Energy: 1.7172031092524724
Energy: 1.7714117191496228
Energy: 1.7177833144835348
Energy: 1.739078084952882
Energy: 1.7172031092533173
Energy: 1.7714117191504677
Energy: 1.7542833202409018
Energy: 1.6334630640536707
Energy: 1.7847199403184044
Energy: 1.689457340588873
Energy: 1.754283320240479
Energy: 1.6334630640566283
Energy: 1.7847199403196718
Energy: 1.6686881678775882
Energy: 1.7601178972578038
Energy: 1.7038020028238747
Energy: 1.71599124155872
Energy: 1.6686881678780108
Energy: 1.7601178972590712
Energy: 1.7038020028242975
Energy: 1.6713739946313908
Energy: 1.6704721326820622
Energy: 1.8586200070231946
Energy: 1.7026388570710198
Energy: 1.6713739946305457
Energy: 1.67047213268333
Energy: 1.8586200070248848
Energy: 1.7028690277714795
Energy: 1.6732458552673506
Energy: 1.7658967819197193
Energy: 1.7054962506953169
Energy: 1.7028690277714795
Energy: 1.6732458552685796
Energy: 1.7658967819209868
Energy: 1.6984143519756911
Energy: 1.7002697916683722
Energy: 1.8449058438428532
Energy: 1.734877378632317
Energy: 1.698414351977381
Energy: 1.70026979166964
Energy: 1.8449058438436983
Energy: 1.7153785052677444
Energy: 1.7249025445736843
Energy: 1.8736167702274324
Energy: 1.654498911930482
Energy: 1.7153785052681672
Energy: 1.7249025445724169
Energy: 1.8736167702282776
Energy: 1.7316679300140767
Energy: 1.6905082728505432
Energy: 1.7704409416609745
Energy: 1.6799187260810169
Energy: 1.731667930014922
Energy: 1.6905082728509657
Energy: 1.770440941659707
Energy: 1.6886962404476598
Energy: 1.6664339972333895
Energy: 1.8019155199531147
Energy: 1.660659453128807
Energy: 1.6886962404476598
Energy: 1.6664339972329674
Energy: 1.8019155199522696
Energy: 1.7026135411190306
Energy: 1.6959701906489086
Energy: 1.7928910912284088
Energy: 1.6716544394327324
Energy: 1.7026135411194534
Energy: 1.6959701906518663
Energy: 1.792891091226296
Energy: 1.7846220636254462
Energy: 1.7279377698106722
Energy: 1.6894559471218147
Energy: 1.7613042517969173
Energy: 1.7846220636241787
Energy: 1.7279377698119396
Energy: 1.6894559471235047
Energy: 1.7797895427549109
Energy: 1.6598401469418225
Energy: 1.8284715163941558
Energy: 1.6560090729761487
Energy: 1.7797895427553334
Energy: 1.6598401469414004
Energy: 1.8284715163945782
Energy: 1.7433797382891014
Energy: 1.6462403233603902
Energy: 1.741265108448811
Energy: 1.7081440413048057
Energy: 1.7433797382882565
Energy: 1.6462403233603902
Energy: 1.7412651084483886
Energy: 1.67665200494227
Energy: 1.713728352610323
Energy: 1.8813166361289522
Energy: 1.699274705168355
Energy: 1.67665200494396
Energy: 1.713728352610323
Energy: 1.8813166361293747
Energy: 1.681283547423003
Energy: 1.6600079698508254
Energy: 1.904373917845862
Energy: 1.7115781109063581
Energy: 1.681283547423003
Energy: 1.6600079698520929
Energy: 1.904373917845862
Energy: 1.6911169104443953
Energy: 1.6802210144307173
Energy: 1.8479807532943795
Energy: 1.6984332031618086
Energy: 1.6911169104431276
Energy: 1.6802210144302947
Energy: 1.8479807532922667
Energy: 1.711236123863912
Energy: 1.659387841086339
Energy: 1.7739111688301856
Energy: 1.6367162526549643
Energy: 1.7112361238647569
Energy: 1.6593878410876062
Energy: 1.7739111688301856
Energy: 1.7015410008479164
Energy: 1.7786059847669844
Energy: 1.8351883623386989
Energy: 1.6955871294834801
Energy: 1.7015410008487615
Energy: 1.7786059847669844
Energy: 1.8351883623391214
Energy: 1.7040332010779768
Energy: 1.6735408447608915
Energy: 1.7476743041137008
Energy: 1.699466467919252
Energy: 1.7040332010796668
Energy: 1.6735408447604694
Energy: 1.7476743041145457
Energy: 1.6877351510782506
Energy: 1.6373516367784253
Energy: 1.803065342511815
Energy: 1.6645855065651625
Energy: 1.6877351510765604
Energy: 1.6373516367784253
Energy: 1.8030653425109702
Energy: 1.6903964074569646
Energy: 1.7161398286101415
Energy: 1.8018738593845693
Energy: 1.7346731628866099
Energy: 1.6903964074578097
Energy: 1.7161398286092964
Energy: 1.8018738593854147

minimum gb energy = 1.6334630640536707 eV
minimum distance =  2.24438620859578 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.6511480758668384
Energy: 1.6793937246182968
Energy: 1.8246621952823072
Energy: 1.6795382097513216
Energy: 1.6511480758663397
Energy: 1.6793937246168007
Energy: 1.7801283258442993
Energy: 1.6307602766757239
Energy: 1.6554977400356503
Energy: 1.735033163340754
Energy: 1.655343325554429
Energy: 1.6307602766807106
Energy: 1.6554977400311623
Energy: 1.7350331633347706
Energy: 1.6513028036467159
Energy: 1.57704756406294
Energy: 1.6554261005615818
Energy: 1.6049504898445515
Energy: 1.6513028036417294
Energy: 1.5770475640604469
Energy: 1.680541443036749
Energy: 1.6320016789572966
Energy: 1.6554579579266788
Energy: 1.7354019619086176
Energy: 1.7278040068036706
Energy: 1.6320016789562992
Energy: 1.6554579579251825
Energy: 1.7354019619076204
Energy: 1.7005336320548625
Energy: 1.6011075253561755
Energy: 1.6026895255957745
Energy: 1.604903725902385
Energy: 1.7005336320543638
Energy: 1.6011075253521863
Energy: 1.6026895255957745
Energy: 1.6474613353750511
Energy: 1.6546935616529186
Energy: 1.6619592650898838
Energy: 1.7233842679152973
Energy: 1.6474613353780427
Energy: 1.6546935616514227
Energy: 1.661959265088388
Energy: 1.8424536074820677
Energy: 1.6022693714249945
Energy: 1.6258709676382341
Energy: 1.6023914240541315
Energy: 1.8424536074820677
Energy: 1.6022693714274876
Energy: 1.6258709676377356
Energy: 1.6316543193216055
Energy: 1.648567781939135
Energy: 1.7277104580021168
Energy: 1.6484912705818695
Energy: 1.6316543193206081
Energy: 1.6485677819441216
Energy: 1.7277104580006206
Energy: 1.842483670506041
Energy: 1.60219375479065
Energy: 1.7564463403775015
Energy: 1.6018398510372904
Energy: 1.842483670507537
Energy: 1.602193754796135
Energy: 1.7284598417235242
Energy: 1.6472569848149101
Energy: 1.7231934617501914
Energy: 1.6621123906055997
Energy: 1.6546776022195442
Energy: 1.6472569848119178
Energy: 1.7231934617467006
Energy: 1.662112390609589
Energy: 1.7005509134498051
Energy: 1.604966280952525
Energy: 1.8789227030565567
Energy: 1.600991533810121
Energy: 1.7005509134478107
Energy: 1.6049662809500316
Energy: 1.6924208473996207
Energy: 1.6321604068306446
Energy: 1.7280813272384588
Energy: 1.7356373783838828
Energy: 1.6551672543372014
Energy: 1.6321604068306446
Energy: 1.7280813272349684
Energy: 1.73563737838488
Energy: 1.6513766178547828
Energy: 1.6047401605318052
Energy: 1.6523156843647229
Energy: 1.5769891941268266
Energy: 1.6513766178557803
Energy: 1.6047401605337999
Energy: 1.6523156843632267
Energy: 1.6307727352200234
Energy: 1.6552705944258133
Energy: 1.7351490253486794
Energy: 1.6554716117449402
Energy: 1.6307727352190264
Energy: 1.655270594426312
Energy: 1.7351490253456876
Energy: 1.6511480758663397
Energy: 1.6793937246187955
Energy: 1.7302887625867338
Energy: 1.6795382097498257
Energy: 1.6511480758653423
Energy: 1.6793937246168007
Energy: 1.7302887625867338
Energy: 1.6307602766762226
Energy: 1.6554977400356503
Energy: 1.735033163340754
Energy: 1.6553433255529328
Energy: 1.6307602766807106
Energy: 1.6554977400321598
Energy: 1.7350331633357676
Energy: 1.6513028036452195
Energy: 1.57704756406294
Energy: 1.6618378812380157
Energy: 1.6049504898455489
Energy: 1.6513028036417294
Energy: 1.5770475640614439
Energy: 1.6618378812430024
Energy: 1.6320016789572966
Energy: 1.6554579579276758
Energy: 1.7354019619086176
Energy: 1.7278040068026732
Energy: 1.6320016789572966
Energy: 1.6554579579266788
Energy: 1.7354019619086176
Energy: 1.700533632053865
Energy: 1.6011075253561755
Energy: 1.6047393555628608
Energy: 1.6049037259018863
Energy: 1.7005336320543638
Energy: 1.6011075253531835
Energy: 1.6026895255967717
Energy: 1.6474613353755494
Energy: 1.6546935616529186
Energy: 1.6619592650898838
Energy: 1.723384267915796
Energy: 1.6474613353785412
Energy: 1.6546935616514227
Energy: 1.6619592650878894
Energy: 1.8424536074820677
Energy: 1.6022693714244958
Energy: 1.6115001227240782
Energy: 1.6023914240546298
Energy: 1.842453607482566
Energy: 1.6022693714269889
Energy: 1.6225959603937774
Energy: 1.6316543193216055
Energy: 1.648567781939135
Energy: 1.727710458001618
Energy: 1.6484912705813708
Energy: 1.6316543193196107
Energy: 1.6485677819441216
Energy: 1.7277104580006206
Energy: 1.8424836705065397
Energy: 1.6021937547891538
Energy: 1.682976942543322
Energy: 1.6018398510367922
Energy: 1.842483670507537
Energy: 1.602193754796135
Energy: 1.7377442739245752
Energy: 1.6472569848139125
Energy: 1.7231934617496927
Energy: 1.6621123906075945
Energy: 1.6546776022200425
Energy: 1.6472569848119178
Energy: 1.7231934617471993
Energy: 1.662112390606597
Energy: 1.7005509134493069
Energy: 1.6049662809530236
Energy: 1.9263955381875486
Energy: 1.6009915338091236
Energy: 1.7005509134483094
Energy: 1.6049662809490344
Energy: 1.92639553818705
Energy: 1.6321604068321407
Energy: 1.7280813272384588
Energy: 1.7356373783838828
Energy: 1.6551672543386973
Energy: 1.6321604068301463
Energy: 1.7280813272359656
Energy: 1.7356373783843815
Energy: 1.6513766178542841
Energy: 1.6047401605318052
Energy: 1.6523156843632267
Energy: 1.5769891941268266
Energy: 1.6513766178562788
Energy: 1.6047401605342986
Energy: 1.6523156843647229
Energy: 1.6307727352205221
Energy: 1.6552705944243176
Energy: 1.7351490253481807
Energy: 1.6554716117449402
Energy: 1.6307727352185277
Energy: 1.6552705944258133
Energy: 1.7351490253456876
Energy: 1.6511480758668384
Energy: 1.6793937246187955
Energy: 1.7302887625847394
Energy: 1.6795382097563083
Energy: 1.6511480758663397
Energy: 1.6793937246168007
Energy: 1.7302887625847394
Energy: 1.6307602766752254
Energy: 1.6554977400351516
Energy: 1.735033163340754
Energy: 1.6553433255529328
Energy: 1.6307602766802118
Energy: 1.655497740031661
Energy: 1.735033163335269

minimum gb energy = 1.5769891941268266 eV
minimum distance =  2.28150382361006 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6842617657882129
Energy: 1.8038925718946626
Energy: 1.733886927440246
Energy: 1.803901966080922
Energy: 1.6842617657882129
Energy: 1.8038925718946626
Energy: 1.774649849968878
Energy: 1.6860506761110907
Energy: 1.6554383467358158
Energy: 1.7540983667290704
Energy: 1.6550254904042316
Energy: 1.6860506761116958
Energy: 1.655438346736421
Energy: 1.754098366726649
Energy: 1.684840210246665
Energy: 1.730164260352077
Energy: 1.7594768161013654
Energy: 1.6686663784080646
Energy: 1.684840210246665
Energy: 1.730164260351472
Energy: 1.7594768161007601
Energy: 1.6476647830046147
Energy: 1.6647454257031222
Energy: 1.7890068791209677
Energy: 1.6341806426848073
Energy: 1.6476647830064308
Energy: 1.6647454257043326
Energy: 1.7890068791246
Energy: 1.6185065083317898
Energy: 1.5789844436097384
Energy: 1.6295426148931749
Energy: 1.6584607891111602
Energy: 1.6185065083317898
Energy: 1.5789844436109488
Energy: 1.6295426148919643
Energy: 1.647508492212252
Energy: 1.5984396883467051
Energy: 1.700193403209297
Energy: 1.6608617641921726
Energy: 1.6475084922128573
Energy: 1.5984396883442842
Energy: 1.7001934032099024
Energy: 1.7363128412990272
Energy: 1.5796772840655822
Energy: 1.6352122984932445
Energy: 1.6575569219795194
Energy: 1.7363128412990272
Energy: 1.5796772840667932
Energy: 1.6352122984920339
Energy: 1.6742690395468012
Energy: 1.7132234895732505
Energy: 1.8017635632342697
Energy: 1.6606462811927265
Energy: 1.6742690395461957
Energy: 1.7132234895744611
Energy: 1.8017635632336646
Energy: 1.72146007398715
Energy: 1.6626972066392283
Energy: 1.707345680886124
Energy: 1.7846752491231437
Energy: 1.7214600739907822
Energy: 1.6626972066404386
Energy: 1.7073456808867291
Energy: 1.6560814064426956
Energy: 1.6624743444721786
Energy: 1.6245637484945974
Energy: 1.7406722766391445
Energy: 1.6560814064433012
Energy: 1.6624743444715733
Energy: 1.624563748493992
Energy: 1.7724586020234
Energy: 1.789482749490254
Energy: 1.6774171705482293
Energy: 1.667152829402906
Energy: 1.7724586020227946
Energy: 1.7894827494908592
Energy: 1.677417170547624
Energy: 1.5651103214779492
Energy: 1.6914126368299938
Energy: 1.636863604471078
Energy: 1.6342933326575506
Energy: 1.565110321479765
Energy: 1.6914126368312044
Energy: 1.6368636044722886
Energy: 1.7738433682198822
Energy: 1.6473970505349913
Energy: 1.6643776240302606
Energy: 1.669223857585484
Energy: 1.773843368219277
Energy: 1.6473970505343858
Energy: 1.6380338209311909
Energy: 1.565159401699293
Energy: 1.6912229225471351
Energy: 1.6797747725817198
Energy: 1.6996202187374811
Energy: 1.5651594017005037
Energy: 1.691222922544714
Energy: 1.6797747725811143
Energy: 1.7525799331190566
Energy: 1.5923649943663927
Energy: 1.6257322378660222
Energy: 1.633386610750156
Energy: 1.7525799331196614
Energy: 1.5923649943663927
Energy: 1.6257322378654167
Energy: 1.5569828598112283
Energy: 1.7320517597885992
Energy: 1.6142786967969485
Energy: 1.6256851726518877
Energy: 1.5569828598106228
Energy: 1.7320517597879939
Energy: 1.614278696798159
Energy: 1.7532792106194972
Energy: 1.5925601755470062
Energy: 1.6164110490430468
Energy: 1.6331206803780938
Energy: 1.753279210618892
Energy: 1.5925601755470062
Energy: 1.6164110490436523
Energy: 1.5569764623389477
Energy: 1.6663633431621219
Energy: 1.6192793098595055
Energy: 1.7215674477710616
Energy: 1.5569764623401585
Energy: 1.6663633431639377
Energy: 1.6192793098576896
Energy: 1.6838211238236722
Energy: 1.6379181450681484
Energy: 1.692025750620714
Energy: 1.6334196288427805
Energy: 1.6838211238230667
Energy: 1.6379181450681484
Energy: 1.6920257506188978
Energy: 1.5566604374382205
Energy: 1.7154087661276611
Energy: 1.5999334448273357
Energy: 1.715441756572526
Energy: 1.5566604374364044
Energy: 1.715408766127056
Energy: 1.5999334448255198
Energy: 1.683803676179995
Energy: 1.6334449314597923
Energy: 1.6945519309316377
Energy: 1.5914561816085766
Energy: 1.683803676179995
Energy: 1.6334449314616084
Energy: 1.6945519309310322
Energy: 1.5569413768877327
Energy: 1.7215898386194517
Energy: 1.6193671768551638
Energy: 1.6661631717023617
Energy: 1.5569413768871274
Energy: 1.7215898386188462
Energy: 1.619367176853953
Energy: 1.7534025473445662
Energy: 1.6333236736264416
Energy: 1.616424217449718
Energy: 1.5925045907089068
Energy: 1.7534025473433557
Energy: 1.6333236736270471
Energy: 1.6164242174515342
Energy: 1.557053353353537
Energy: 1.6255646644836423
Energy: 1.6143026628600607
Energy: 1.7318810410189636
Energy: 1.5570533533511153
Energy: 1.6255646644842479
Energy: 1.6143026628618768
Energy: 1.752545009537779
Energy: 1.633343477354247
Energy: 1.6515769928731792
Energy: 1.5923669287044429
Energy: 1.7525450095359631
Energy: 1.6333434773548523
Energy: 1.6515769928731792

minimum gb energy = 1.5566604374364044 eV
minimum distance =  2.25647096885015 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.6819237097348168
Energy: 1.7881007661153263
Energy: 1.7257106397088415
Energy: 1.7884798532042483
Energy: 1.6819237097314383
Energy: 1.788100766111948
Energy: 1.7257106397088415
Energy: 1.7911462862452507
Energy: 1.714120056539158
Energy: 1.7662892597458297
Energy: 1.7013718581895594
Energy: 1.7911462862486291
Energy: 1.7141200565425365
Energy: 1.7662892597424513
Energy: 1.6751117061272172
Energy: 1.7152313819471605
Energy: 1.7858505137017988
Energy: 1.720668953879898
Energy: 1.6751117061272172
Energy: 1.715231381950539
Energy: 1.7858505137017988
Energy: 1.623941785325459
Energy: 1.7613445603911815
Energy: 1.8680943713106364
Energy: 1.7067669812906823
Energy: 1.623941785325459
Energy: 1.7613445603911815
Energy: 1.868094371307258
Energy: 1.7442928594610847
Energy: 1.6338422226440874
Energy: 1.6718934956914264
Energy: 1.6365623901398572
Energy: 1.744292859454328
Energy: 1.633842222640709
Energy: 1.6718934956914264
Energy: 1.6269025003888609
Energy: 1.7182603147606426
Energy: 1.7821918372773675
Energy: 1.6334865778179146
Energy: 1.6269025003854825
Energy: 1.7182603147673376
Energy: 1.7821918372841241
Energy: 1.619701640345891
Energy: 1.633725368721997
Energy: 1.6639798966652666
Energy: 1.6398518797552042
Energy: 1.6197016403425126
Energy: 1.6337253687186186
Energy: 1.663979896668645
Energy: 1.6266373772947942
Energy: 1.7327488750490783
Energy: 1.782968157284704
Energy: 1.6230697401613179
Energy: 1.6266373772947942
Energy: 1.7327488750592133
Energy: 1.782968157284704
Energy: 1.6210028620050343
Energy: 1.6700663049959512
Energy: 1.7362548178000092
Energy: 1.6734000869406822
Energy: 1.6210028620084127
Energy: 1.6700663049858162
Energy: 1.7362548178000092
Energy: 1.6465727634458112
Energy: 1.730581819290699
Energy: 1.73117039476735
Energy: 1.6600373472264778
Energy: 1.646572763452568
Energy: 1.730581819290699
Energy: 1.731170394777485
Energy: 1.6217001340144364
Energy: 1.7033761516933168
Energy: 1.7899191051642824
Energy: 1.6254199723908727
Energy: 1.6217001340245714
Energy: 1.7033761516933168
Energy: 1.8273768252400415
Energy: 1.646252118353322
Energy: 1.6851263098241531
Energy: 1.8425078964695254
Energy: 1.6776177913887238
Energy: 1.6462521183499437
Energy: 1.6851263098241531
Energy: 1.842507896466147
Energy: 1.7542611717928154
Energy: 1.6951462600312943
Energy: 1.7786696565723499
Energy: 1.7069249520627616
Energy: 1.754261171789437
Energy: 1.695146260027916
Energy: 1.8163672192268867
Energy: 1.7013954830239975
Energy: 1.7941105074709414
Energy: 1.9017025481844585
Energy: 1.736129742267699
Energy: 1.7013954830239975
Energy: 1.7941105074709414
Energy: 1.9017025481844585
Energy: 1.7548145198288152
Energy: 1.7295102563259253
Energy: 1.889783565112031
Energy: 1.7589699747598926
Energy: 1.7548145198288152
Energy: 1.7295102563326819
Energy: 1.8897835651086525
Energy: 1.7021080558017114
Energy: 1.6852452997674954
Energy: 1.7453594882041215
Energy: 1.6778664758739854
Energy: 1.7021080558050896
Energy: 1.6852452997708738
Energy: 1.7453594882041215
Energy: 1.7752419065890894
Energy: 1.7012884594300723
Energy: 1.8884243296683265
Energy: 1.7067398785490204
Energy: 1.7752419065924676
Energy: 1.701288459426694
Energy: 1.8884243296683265
Energy: 1.6455468883251574
Energy: 1.6873714183085304
Energy: 1.7681986862942147
Energy: 1.6757477135303074
Energy: 1.6455468883285358
Energy: 1.6873714183085304
Energy: 1.7681986862942147
Energy: 1.775676998377259
Energy: 1.7081803778511606
Energy: 1.8185871908978164
Energy: 1.7316988551747134
Energy: 1.7756769983705023
Energy: 1.7081803778477822
Energy: 1.8185871909011946
Energy: 1.5925954344168718
Energy: 1.7194655597753
Energy: 1.7802990235408678
Energy: 1.6326174870257815
Energy: 1.59259543442025
Energy: 1.7194655597685429
Energy: 1.7802990235408678
Energy: 1.631302626472557
Energy: 1.6337684259083207
Energy: 1.7736889782594396
Energy: 1.6475493148845204
Energy: 1.6313026264691786
Energy: 1.6337684259150773
Energy: 1.7736889782594396
Energy: 1.593067629911514
Energy: 1.665525753427982
Energy: 1.7082046936491917
Energy: 1.6278372930714105
Energy: 1.5930676299047573
Energy: 1.6655257534246035
Energy: 1.7082046936559487
Energy: 1.6306863713935182
Energy: 1.6096093189265175
Energy: 1.7537435254017972
Energy: 1.778865483064946
Energy: 1.6306863713968967
Energy: 1.6096093189298957
Energy: 1.7537435253984188
Energy: 1.6636705893708352
Energy: 1.6623108884762343
Energy: 1.68558210658843
Energy: 1.628469391068944
Energy: 1.6636705893708352
Energy: 1.6623108884762343
Energy: 1.6855821065918084
Energy: 1.6174320896497763
Energy: 1.709436602499066
Energy: 1.7386284389075897
Energy: 1.8541482661057316
Energy: 1.6174320896599113
Energy: 1.7094366025024443
Energy: 1.738628438910968
Energy: 1.648243956458729
Energy: 1.7442224651032103
Energy: 1.7659789452230434
Energy: 1.7068863853103786
Energy: 1.6482439564553508
Energy: 1.7442224651065887
Energy: 1.765978945219665
Energy: 1.7105108744787707
Energy: 1.6978911682255677
Energy: 1.6580625251121581
Energy: 1.8011096790545176
Energy: 1.7105108744753923
Energy: 1.697891168228946
Energy: 1.6580625251087797
Energy: 1.6470916924003471
Energy: 1.8409263590027607
Energy: 1.7627182576073304
Energy: 1.7494679270083195
Energy: 1.6470916924003471
Energy: 1.8409263590095175
Energy: 1.7627182575904385
Energy: 1.709040305409004
Energy: 1.6892195811512722
Energy: 1.7524276506377776
Energy: 1.8001236114016224
Energy: 1.709040305409004
Energy: 1.6892195811512722
Energy: 1.752427650641156
Energy: 1.655911803595575
Energy: 1.7391300839447863
Energy: 1.7555498643028866
Energy: 1.789742973752997
Energy: 1.6559118035989537
Energy: 1.7391300839481647
Energy: 1.755549864306265
Energy: 1.6218470045516147
Energy: 1.6884216442590096
Energy: 1.8002410254557595
Energy: 1.7928071739923868
Energy: 1.621847004554993
Energy: 1.6884216442657662
Energy: 1.8002410254625163
Energy: 1.6582559628982876
Energy: 1.6282450067435668
Energy: 1.6931227368678232
Energy: 1.6999076624851053
Energy: 1.658255962901666
Energy: 1.6282450067503234
Energy: 1.6931227368610664
Energy: 1.6214919087430162
Energy: 1.6438199434619027
Energy: 1.8115455360276083
Energy: 1.7182989725003464
Energy: 1.6214919087396378
Energy: 1.6438199434686593
Energy: 1.8115455360276083
Energy: 1.6367073971262882
Energy: 1.6415009827217322
Energy: 1.6831452882638804
Energy: 1.615955314519549
Energy: 1.6367073971296666
Energy: 1.6415009827251106
Energy: 1.6831452882638804
Energy: 1.6207757313812905
Energy: 1.6115366801563904
Energy: 1.7899789188033377
Energy: 1.7082170889230055
Energy: 1.6207757313812905
Energy: 1.6115366801597688
Energy: 1.7899789188100945
Energy: 1.622737736241265
Energy: 1.6398241319944964
Energy: 1.6481975002858873
Energy: 1.6210343547209074
Energy: 1.6227377362345083
Energy: 1.6398241319978748
Energy: 1.648197500282509
Energy: 1.620375767341113
Energy: 1.611769449652091
Energy: 1.7593498134336851
Energy: 1.7127895684765895
Energy: 1.6203757673444912
Energy: 1.6117694496487125
Energy: 1.7593498134303074
Energy: 1.6139506847882847
Energy: 1.6215362747285282
Energy: 1.7342434329894207
Energy: 1.621383612377144
Energy: 1.6139506847882847
Energy: 1.6215362747319064
Energy: 1.734243432986042
Energy: 1.6203826228716283
Energy: 1.6845565425366316
Energy: 1.904078484408102
Energy: 1.7311004380248987
Energy: 1.6203826228750067
Energy: 1.6845565425433882
Energy: 1.9040784844047236
Energy: 1.6662594561880482
Energy: 1.7013945422306955
Energy: 1.743368052913546
Energy: 1.696649896488336
Energy: 1.6662594561812913
Energy: 1.7013945422340737
Energy: 1.743368052913546
Energy: 1.7631136336610636
Energy: 1.6807352408979843
Energy: 1.9045735856668642
Energy: 1.7409538626485002
Energy: 1.763113633664442
Energy: 1.680735240894606
Energy: 1.9045735856668642
Energy: 1.6661622748120615
Energy: 1.6820345482387737
Energy: 1.850842267959514
Energy: 1.776097586634891
Energy: 1.6661622748120615
Energy: 1.6820345482387737
Energy: 1.8508422679527572
Energy: 1.7160254692626435
Energy: 1.6806484486314825
Energy: 1.8142070288639354
Energy: 1.7454920708092236
Energy: 1.716025469266022
Energy: 1.6806484486347995
Energy: 1.8142070288571785
Energy: 1.7140495529144355
Energy: 1.7048143866614964
Energy: 1.8776204841496427
Energy: 1.6013683799423923
Energy: 1.7140495529144355
Energy: 1.7048143866648748
Energy: 1.8776204841395077
Energy: 1.5990056471003393
Energy: 1.681595552472524
Energy: 1.814563379210346
Energy: 1.7342942415412477
Energy: 1.5990056471003393
Energy: 1.681595552475902
Energy: 1.8145633792137243

minimum gb energy = 1.5925954344168718 eV
minimum distance =  2.19808061064119 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.7268386111524203
Energy: 1.3400427150978869
Energy: 1.7509866033072814
Energy: 1.3400427150963632
Energy: 1.7268386111524203
Energy: 1.340042715097125
Energy: 1.6858648897266038
Energy: 1.726838611150135
Energy: 1.340042715097125
Energy: 1.4370466636782542
Energy: 1.3400427150986485
Energy: 1.7268386111524203
Energy: 1.3400427150986485
Energy: 1.3127473374772334
Energy: 1.7268386111531817
Energy: 1.3400427150986485
Energy: 1.799015551468267
Energy: 1.3400427150994099
Energy: 1.7268386111516585
Energy: 1.340042715097125
Energy: 1.312747292003095
Energy: 1.7268386111524203
Energy: 1.3400427150986485
Energy: 1.6483769317757253
Energy: 1.3400427150963632
Energy: 1.7268386111524203
Energy: 1.3400427150978869
Energy: 1.7516261377995859
Energy: 1.7268386111516585
Energy: 1.3400427150978869
Energy: 1.6486796490508104
Energy: 1.3400427150978869
Energy: 1.7268386111539435
Energy: 1.3400427150994099
Energy: 1.499267538614813
Energy: 1.7268386111531817
Energy: 1.3400427151001717
Energy: 1.6682899423850106
Energy: 1.3400427150978869
Energy: 1.7268386111508967
Energy: 1.3400427150978869
Energy: 1.4015377669433597
Energy: 1.7268386111524203
Energy: 1.3400427150978869
Energy: 1.7516261375673736
Energy: 1.340042715097125
Energy: 1.7268386111531817
Energy: 1.3400427150963632
Energy: 1.6854185048994466
Energy: 1.726838611150135
Energy: 1.340042715097125
Energy: 1.3127478009077886
Energy: 1.3400427150978869
Energy: 1.7268386111524203
Energy: 1.3400427150986485
Energy: 1.3127478080843094
Energy: 1.7268386111539435
Energy: 1.3400427150994099
Energy: 1.3174679848847048
Energy: 1.3400427150986485
Energy: 1.7268386111508967
Energy: 1.340042715097125
Energy: 1.3127478560868835
Energy: 1.7268386111524203
Energy: 1.3400427150956018
Energy: 1.6858648879237144
Energy: 1.3400427150978869
Energy: 1.7268386111516585
Energy: 1.3400427150978869
Energy: 1.6858648878536733
Energy: 1.7268386111516585
Energy: 1.3400427150978869
Energy: 1.3798672687282454
Energy: 1.3400427150994099
Energy: 1.7268386111531817
Energy: 1.3400427150994099
Energy: 1.3127479479952033
Energy: 1.7268386111531817
Energy: 1.3400427150978869
Energy: 1.3174823265297368
Energy: 1.3400427150994099
Energy: 1.7268386111516585
Energy: 1.3400427150963632
Energy: 1.3174746674089368
Energy: 1.7268386111516585
Energy: 1.3400427150978869
Energy: 1.3174778921196169
Energy: 1.3400427150963632
Energy: 1.7268386111524203
Energy: 1.3400427150994099
Energy: 1.31748612957293
Energy: 1.726838611150135
Energy: 1.3400427150978869
Energy: 1.3174798572363096
Energy: 1.3400427150994099
Energy: 1.7268386111524203
Energy: 1.3400427150986485
Energy: 1.3174843564985248
Energy: 1.7268386111531817
Energy: 1.3400427150986485
Energy: 1.3174837270296993
Energy: 1.340042715097125
Energy: 1.7268386111516585
Energy: 1.340042715097125
Energy: 1.3174598247597893
Energy: 1.7268386111524203
Energy: 1.3400427150978869
Energy: 1.3174781849255481
Energy: 1.340042715097125
Energy: 1.7268386111516585
Energy: 1.3400427150978869
Energy: 1.3174596853011324
Energy: 1.7268386111516585
Energy: 1.340042715097125
Energy: 1.317479385685151
Energy: 1.340042715097125
Energy: 1.7268386111531817
Energy: 1.3400427150978869
Energy: 1.3174836954441784
Energy: 1.7268386111531817
Energy: 1.3400427150994099
Energy: 1.3174694263888866
Energy: 1.3400427150978869
Energy: 1.7268386111508967
Energy: 1.340042715097125
Energy: 1.3174853341259734
Energy: 1.7268386111524203
Energy: 1.340042715097125
Energy: 1.3174852093652658
Energy: 1.3400427150963632
Energy: 1.7268386111531817
Energy: 1.3400427150978869
Energy: 1.3174826471707226
Energy: 1.726838611150135
Energy: 1.3400427150978869
Energy: 1.317481617912105
Energy: 1.3400427150986485
Energy: 1.7268386111524203
Energy: 1.3400427150978869
Energy: 1.317479894871567

minimum gb energy = 1.312747292003095 eV
minimum distance =  2.37476723062867 Angstroms
sigma value = 23