Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098572611809
cohesive_energy=4.242432871290793
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 4.998310445089799e-19, 5.249499697768319e-19, 5.4717215969041195e-19, 5.668757279353439e-19, 5.84355475012284e-19, 5.9983891000326e-19, 6.14719926579852e-19, 6.282999757296359e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-17]
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: 0.020083762656442232
Energy: 0.021190596966717115
Energy: 0.8889776443703796
Energy: 0.7775435163829303
Energy: 0.7720599485649474
Energy: 0.2917614828148747
Energy: 0.02107729159495031
Energy: 0.020534538174358793
Energy: 0.4753057695119288
Energy: 0.1292776206577319
Energy: 0.08724405237038169
Energy: 0.48006828854256567
Energy: 0.02162606551733922
Energy: 0.07536818912813066
Energy: 0.020647653740896162
Energy: 0.476285219328222
Energy: 0.5969477127514506
Energy: 0.4468856950624912
Energy: 0.4756142920566839
Energy: 0.07382164401301713
Energy: 0.07512346757457694
Energy: 0.02249420193089367
Energy: 0.4720192902954992
Energy: 0.08956672668787802
Energy: 0.5067547592253963
Energy: 0.47275319423484613
Energy: 0.07417205171139617
Energy: 0.021208492447662694
Energy: 0.07459683366205877
Energy: 0.5089560012027271
Energy: 0.15185087751295678
Energy: 0.0879200038267887
Energy: 0.47309037654568753
Energy: 0.02113435425056502
Energy: 0.07551781741291566
Energy: 0.020507676050168552
Energy: 0.4744222679054508
Energy: 0.31221090526695494
Energy: 0.448137977067472
Energy: 0.4750247976919869
Energy: 0.07353380153547655
Energy: 0.07550939885475177

minimum gb energy = 0.020083762656442232 eV
minimum distance =  2.52753712606851 Angstroms
sigma value = 5


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

Energy: 1.0193831201295112
Energy: 1.0206117140384916
Energy: 0.9160122389549988
Energy: 1.049046627336562
Energy: 0.9527653081252927
Energy: 0.9133888617714115
Energy: 1.0201310083947175
Energy: 0.9082588493430722
Energy: 0.8422193418501623
Energy: 0.8808510866373019
Energy: 0.8602882902824505
Energy: 0.8121328266289646
Energy: 0.8566475494088401
Energy: 0.9121695020411679
Energy: 0.9438337778430798
Energy: 0.8698701238249826
Energy: 0.800740227691604
Energy: 0.9197841984481893
Energy: 0.8547848145841276
Energy: 0.8056795695866512
Energy: 0.9688968173956103
Energy: 0.9131221727535732
Energy: 0.8289795548074176
Energy: 0.8564899239173467
Energy: 0.9093803461782108
Energy: 0.9170726517827675
Energy: 0.9781953275068824
Energy: 0.9048796609157864
Energy: 0.9051799173516656
Energy: 0.8582191955496322
Energy: 1.0263698770441292
Energy: 0.9492290807312972
Energy: 0.9220748216418257
Energy: 1.0511489007650192
Energy: 0.9821242943687588
Energy: 0.9892930711071027
Energy: 0.7943376562420668
Energy: 1.0465891486228123
Energy: 0.8816456979902036
Energy: 0.8430932012164952
Energy: 0.852823669854167
Energy: 0.9073625033110211
Energy: 1.0230736165032936
Energy: 0.8881920720070717
Energy: 0.9718692981122887
Energy: 0.964817837588859
Energy: 0.9279107198352543
Energy: 0.8977279826807157
Energy: 0.836435455134255
Energy: 1.0129867682515565
Energy: 0.9647805835575594
Energy: 0.840284189498338
Energy: 0.9127180986872206
Energy: 0.9132304543690422
Energy: 0.8944349213878455
Energy: 0.9571220392718819
Energy: 0.9080593978369478
Energy: 0.9045392843827773
Energy: 0.8595178243107441
Energy: 0.8006895181574768
Energy: 0.9273475063992325
Energy: 0.8930361591815815
Energy: 0.8842891128770858
Energy: 0.8957748801225818
Energy: 0.9894538563044996
Energy: 0.9152504528757641
Energy: 0.9495121162782957
Energy: 1.034078661279384
Energy: 0.8447793555925647
Energy: 0.9946747494630371
Energy: 0.9854234338997361
Energy: 1.0470067964358434
Energy: 0.8717498751769223
Energy: 0.9591233691884147
Energy: 0.9128487967915712
Energy: 0.9467379970548936
Energy: 0.9579199782251763
Energy: 0.9222938120189154
Energy: 0.8352537036299222
Energy: 0.852474915370051
Energy: 0.846367374946368
Energy: 0.8618374790346204
Energy: 0.8644990952666297
Energy: 0.8438344479032394
Energy: 0.9035136684143309
Energy: 0.9082854532110641
Energy: 0.8576384487136457
Energy: 0.8720350744870096
Energy: 0.833686475968922
Energy: 0.8744524432371745
Energy: 0.8278673417258
Energy: 0.9185272924910857
Energy: 0.9459282329501865
Energy: 0.8784082913689757
Energy: 0.888532935810014
Energy: 0.8637335802223589
Energy: 1.0915960908109996
Energy: 0.9402160187811068
Energy: 0.934085006140039
Energy: 0.8871005650820382
Energy: 1.030543640540461
Energy: 0.8489110497787746
Energy: 0.933067271946204
Energy: 0.8949429666936038
Energy: 0.8593239219902273
Energy: 1.0350944446384256
Energy: 0.8877020837153708
Energy: 0.9303344772747956
Energy: 0.8154856755293318
Energy: 0.7804281074308091
Energy: 0.8789722050069598
Energy: 0.8760861165562447
Energy: 0.9917997026137794
Energy: 0.9130133594364034
Energy: 1.0220996968426082
Energy: 0.9180257152260712
Energy: 0.8674628291314648
Energy: 1.0760055238718738
Energy: 1.0164427757258507
Energy: 1.0450105172435538
Energy: 0.8342702233067492
Energy: 0.9396052304544776
Energy: 0.8706490396464213
Energy: 0.9474172165424036
Energy: 0.9108474955914507
Energy: 0.8458892643103519
Energy: 0.9641912800271975
Energy: 0.8783117190771352
Energy: 0.885700885169147
Energy: 0.9010713781892133
Energy: 0.8564160971359837
Energy: 0.8449963473038795
Energy: 0.9196161394247022
Energy: 0.9456964487838755
Energy: 0.8636809214836
Energy: 0.886381475662599
Energy: 0.9000750949308233
Energy: 0.8741064724500297
Energy: 1.033987041942413
Energy: 0.9355899461674579
Energy: 0.9380835785109639
Energy: 1.0162408164927164
Energy: 0.9000693117508279
Energy: 0.9263117347852204
Energy: 0.9504054437971349
Energy: 0.915014656417966
Energy: 0.9046682510321675
Energy: 0.895899888660955
Energy: 0.8181891142145732
Energy: 0.7746020712699042
Energy: 0.8386051309928343
Energy: 0.7575295411425815
Energy: 0.8676494871119892
Energy: 0.8781682767341036
Energy: 0.9246639847286657
Energy: 0.9561957301551413
Energy: 0.8844549739457136
Energy: 0.9646257194314495
Energy: 0.9023348174302733
Energy: 0.8726756106658807
Energy: 0.9103802404973731
Energy: 0.8700956805655725
Energy: 0.9776290117147383
Energy: 0.9062791364279544
Energy: 0.9704546710350026
Energy: 0.9496373883339949
Energy: 0.8495326137704035
Energy: 0.9777737751381377
Energy: 0.9074651387920237
Energy: 0.9093115739867416
Energy: 0.8587100176692685
Energy: 0.8800460882169027
Energy: 0.8118144107454478
Energy: 0.9357539851681012
Energy: 0.9126888585229859
Energy: 0.9484956343963327
Energy: 0.8405282252471575
Energy: 0.8009224927664136
Energy: 0.8630560615878062
Energy: 0.9612562916834541
Energy: 0.8013731962644199
Energy: 0.9672271324046469
Energy: 0.8897880032978601
Energy: 0.9266242980620285
Energy: 0.8692028526490271
Energy: 0.9924744282784591
Energy: 0.9561842335607261
Energy: 1.0466788302793149
Energy: 0.9438059177218225
Energy: 0.8661246054066226
Energy: 0.8823336235747805
Energy: 1.0054960846556729
Energy: 0.905238484698766
Energy: 0.8089561600645612
Energy: 0.8543695059991832
Energy: 0.9330427772407635
Energy: 0.9565561269527404
Energy: 0.8808021909696309
Energy: 1.0079580115492195
Energy: 0.8849119353662742
Energy: 0.8086730630382867
Energy: 0.9074600533614186
Energy: 0.9081641488622058
Energy: 0.9325584278179965
Energy: 0.9299055159665599
Energy: 0.8940109255295277
Energy: 0.9170899898707102
Energy: 0.9332477204516282
Energy: 0.9597421533484998
Energy: 0.7920480686773792
Energy: 0.9000926236428389
Energy: 0.8971451495032206
Energy: 0.8399362543661574
Energy: 0.8641460711019819
Energy: 0.9480473165260905
Energy: 0.8453611071461735
Energy: 0.9584338405915379
Energy: 0.8410947344097761
Energy: 0.9022465745623861
Energy: 0.8609876273572169
Energy: 0.8375550197434388
Energy: 0.81177057217776
Energy: 0.9072371315475214
Energy: 0.8935603763766987
Energy: 0.9522323317266869
Energy: 0.9838478825525362
Energy: 0.9032470827445553
Energy: 1.0431252062264091
Energy: 1.0334797862764908
Energy: 0.8857944197105926
Energy: 1.0319316359546251
Energy: 0.9363850866293175
Energy: 0.9046294395666716
Energy: 0.9447954262632265
Energy: 0.9366293523617988
Energy: 0.9623103600051527
Energy: 0.8928989095529487
Energy: 0.9468723634834656
Energy: 0.8884735894499798
Energy: 0.8356534150476255
Energy: 0.9813149436920283
Energy: 0.8454726181289547
Energy: 0.9024288462218266
Energy: 0.8427627338961297
Energy: 0.8471163367178121
Energy: 0.8927306355552291
Energy: 0.8641499989001991
Energy: 0.9042050902733404
Energy: 0.8388381573307839
Energy: 0.824133454649585
Energy: 0.8891258580126769
Energy: 0.8599469549699639
Energy: 0.9738201493264593
Energy: 0.8967117045173484
Energy: 1.0157472805766166
Energy: 0.8964753334871338
Energy: 0.9997852650856045
Energy: 1.0950979664583402
Energy: 0.920804872010251
Energy: 1.003074925957562
Energy: 0.8889876021640022
Energy: 0.9541657156267463
Energy: 0.8793530706068902
Energy: 0.9044492165389313
Energy: 0.7817286449101906
Energy: 0.7972211788692112
Energy: 1.01807283786995
Energy: 0.8856168241545727
Energy: 1.020159922555405
Energy: 0.837911407421091
Energy: 0.9839594553618162
Energy: 0.9460285612077058
Energy: 0.960336588645608
Energy: 0.8880555620837839
Energy: 0.8664897336889564
Energy: 0.9933960262624947
Energy: 0.9205515467975222
Energy: 0.9778565452221222
Energy: 1.0765489325824573
Energy: 1.0046413238130572
Energy: 0.8702105929716973
Energy: 0.8166061112312238
Energy: 0.8903150000713774
Energy: 0.87644317697569
Energy: 0.9005000484190503
Energy: 0.9499476112311973
Energy: 0.8542063015917022
Energy: 0.9231725184036034
Energy: 0.8128113152750562
Energy: 0.9247841639586462
Energy: 0.8611817974058148
Energy: 0.8716755973707466
Energy: 0.8258508070977661
Energy: 0.9254617460782281
Energy: 0.9007643496582959
Energy: 0.9426555071065476
Energy: 0.9634582257460199
Energy: 0.9335866189608313
Energy: 0.8914020713520698
Energy: 1.0769200474749587
Energy: 0.8042657873231849
Energy: 0.8594916830544282
Energy: 0.8452838247513544
Energy: 0.870556667564871
Energy: 0.9008527937948817
Energy: 0.8992829456520334
Energy: 0.8674839830062219
Energy: 0.8793966775964794
Energy: 0.9019743991734342
Energy: 0.8191673208780113
Energy: 0.8770166396473856
Energy: 0.8387457767134688
Energy: 0.7946771071081928
Energy: 0.9007307831355095
Energy: 0.84653631893385
Energy: 0.8909811812799084
Energy: 0.8874062341525787
Energy: 0.830367227955218
Energy: 0.9888840455030277
Energy: 0.8884864088774279
Energy: 0.9060839315746014
Energy: 0.960214430315365
Energy: 0.8784515598819845
Energy: 0.9672849535264788
Energy: 0.8986338983477501
Energy: 0.8840037387348595
Energy: 1.0246974198228402
Energy: 0.8541262901104256
Energy: 0.9696452697366926

minimum gb energy = 0.7575295411425815 eV
minimum distance =  2.25250222927015 Angstroms
sigma value = 401


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

Energy: 1.1408833603651902
Energy: 0.9730885066140702
Energy: 0.9504427527183721
Energy: 0.9763397923292672
Energy: 0.9335044270147786
Energy: 0.9173298041864747
Energy: 0.9326379933290542
Energy: 0.9887572386681971
Energy: 0.8040739517350547
Energy: 0.8057079209250511
Energy: 0.908032768280472
Energy: 0.8231331449746663
Energy: 0.8488983938177539
Energy: 0.9572692374569347
Energy: 1.0042622118456412
Energy: 0.887381215554515
Energy: 0.8125870423715755
Energy: 0.919881787766918
Energy: 0.9023535036341211
Energy: 0.8522804250366177
Energy: 0.847772276817022
Energy: 0.9045636329295836
Energy: 0.9656371667427252
Energy: 0.9421099129902599
Energy: 0.8982549540075908
Energy: 0.8558685328889891
Energy: 0.9508492560485469
Energy: 1.022799201473648
Energy: 0.9119979569814923
Energy: 0.8206546244603918
Energy: 0.9011140966620207
Energy: 0.8571870018344173
Energy: 0.8398236386527201
Energy: 0.8961467735098566
Energy: 0.9648876357639115
Energy: 0.9049608662170754
Energy: 0.7532133734653232
Energy: 0.8911645981958577
Energy: 0.8504151105717959
Energy: 0.8886706670085447
Energy: 0.9014528856977383
Energy: 0.9538977356339413
Energy: 0.9877763355993602
Energy: 0.9221245459381955
Energy: 0.9898719575530947
Energy: 0.8961671243818459
Energy: 0.9131201088105159
Energy: 0.943751606036598
Energy: 0.8508061048036946
Energy: 0.9216234828302764
Energy: 0.8585069660068534
Energy: 0.9519181328079979
Energy: 0.8676540331382692
Energy: 0.9253360964131201
Energy: 0.9488207849998549
Energy: 0.9230063316884587
Energy: 0.9910021847207343
Energy: 0.8825725674454988
Energy: 0.8432299220133701
Energy: 1.1642587698622815
Energy: 0.9315847301930154
Energy: 0.8205567065907992
Energy: 0.9422596835286409
Energy: 0.9677009444253336
Energy: 0.8853449430422198
Energy: 0.8468591568444005
Energy: 0.8942640963176787
Energy: 0.8825423000168489
Energy: 0.8472946002692544
Energy: 0.9312293358162523
Energy: 0.8461791988667423
Energy: 0.8854483789078196
Energy: 0.9100190554443647
Energy: 1.0991361758150855
Energy: 0.847133406984658
Energy: 0.8564810582865411
Energy: 0.9476664167526798
Energy: 0.9348317125390018
Energy: 0.8255413093122262
Energy: 0.8400192453647497
Energy: 1.141872921146395
Energy: 0.8716122515964565
Energy: 0.8498325061549026
Energy: 0.8824005594083928
Energy: 0.8910561735866913
Energy: 0.8340805994795227
Energy: 0.9262376782848873
Energy: 0.9611948099709782
Energy: 0.908131088572946
Energy: 0.8517008014695946
Energy: 0.9343005990077523
Energy: 0.9561588818659512
Energy: 0.9150794668319784
Energy: 0.9869034209169041
Energy: 0.9261079879793012
Energy: 0.8553878931998466
Energy: 0.9343712425896523
Energy: 0.8682117769293121
Energy: 0.9002932756461011
Energy: 0.7710203004741406
Energy: 0.9771817519052809
Energy: 0.8324267493617168
Energy: 0.8448213414681275
Energy: 0.8964580978309634
Energy: 0.8848717390634143
Energy: 0.9447954258855557
Energy: 0.818114248686791
Energy: 0.9137591920597482
Energy: 0.8322047031049788
Energy: 0.8442139999940723
Energy: 0.9157384943483265
Energy: 0.8790148650218947
Energy: 0.9510134383302564
Energy: 0.9555675946703578
Energy: 1.0645598365847493
Energy: 0.8692662239621208
Energy: 0.8611385679795032
Energy: 0.922218424423619
Energy: 0.8678624937712961
Energy: 0.9116996313162515
Energy: 0.9033057244483143
Energy: 0.9307077197039088
Energy: 0.8838130959029539
Energy: 0.8943386161128496
Energy: 0.8973674841653557
Energy: 0.7842366753429899
Energy: 0.9088538386928564
Energy: 0.8154345859553919
Energy: 0.8864606041511137
Energy: 1.157378360284991
Energy: 0.8510358665765768
Energy: 0.7552874931997302
Energy: 0.9052716612934597
Energy: 1.01582210488801
Energy: 0.9111324149991025
Energy: 0.9017058647824969
Energy: 1.0623326224658376
Energy: 0.8596350600935034
Energy: 0.9071642534214159
Energy: 0.9323611425084379
Energy: 0.8692529794121387
Energy: 0.9064797541951999
Energy: 0.8382267895963962
Energy: 0.8599135623629367
Energy: 0.7973215067169831
Energy: 0.8105358547037499
Energy: 0.9058786317207743
Energy: 1.0167695314930858
Energy: 0.9961905861964205
Energy: 0.8314806494789139
Energy: 1.1178225250793408
Energy: 0.9566988273151976
Energy: 0.8457548096818487
Energy: 0.9480453940428152
Energy: 0.8843869687158927
Energy: 0.9547546697141088
Energy: 0.9309201871595267
Energy: 0.9031515065172561
Energy: 0.9055018719361371
Energy: 0.9210068059397307
Energy: 0.9445511328552985
Energy: 0.9463620269154244
Energy: 0.8640035508428229
Energy: 0.9540460651118706
Energy: 0.9017718242483289
Energy: 0.9023055707907918
Energy: 0.8731300820146718
Energy: 0.8575359391734106
Energy: 0.9172187219118633
Energy: 0.77641792366333
Energy: 0.9088902240742456
Energy: 0.8702123821391288
Energy: 0.8439233486017023
Energy: 0.8211411361496381
Energy: 0.9553629424692256
Energy: 0.9671200074766088
Energy: 0.8410966850894904
Energy: 0.8690067459590624
Energy: 0.8122476173835236
Energy: 0.8448374252659994
Energy: 0.9720934167987748
Energy: 0.8950553594475432
Energy: 0.8990379099146256
Energy: 0.9427223992872208
Energy: 0.9719666372214907
Energy: 0.8800287247728377
Energy: 0.8425134201156024
Energy: 0.9340310131619919
Energy: 0.8928419916982123
Energy: 0.979722228669847
Energy: 0.8723155061618357
Energy: 0.813665661729673
Energy: 0.8869663367169975
Energy: 0.9277903322533845
Energy: 0.8954002829098385
Energy: 0.77184998751865
Energy: 0.9676712894692789
Energy: 0.8363122888996352
Energy: 0.8518713922460395
Energy: 0.8820483562927673
Energy: 0.9273060196959213
Energy: 0.8761136968575327
Energy: 0.8889260695317482
Energy: 0.9886042262057998
Energy: 0.9647144378520465
Energy: 0.913654729370466
Energy: 0.938110888820692
Energy: 0.9286278183589897
Energy: 0.9064668333873771
Energy: 0.9654606595427562
Energy: 0.9496742995958124
Energy: 0.8156244962588038
Energy: 0.862866080618272
Energy: 0.8612745203532809
Energy: 0.9128960140672867
Energy: 0.8413634915659453
Energy: 0.9166151301589688
Energy: 0.8603766505063507
Energy: 0.8659313090784532
Energy: 0.8535269581931648
Energy: 1.1623928417450569
Energy: 0.8699252922965465
Energy: 0.8718083053524237
Energy: 0.9397362244527678
Energy: 0.9713556719642569
Energy: 0.8886484502795886
Energy: 0.9547424257664058
Energy: 0.8939513995321446
Energy: 0.8597027299123475
Energy: 0.9097978572536577
Energy: 0.9867793979552658
Energy: 0.926779172139074
Energy: 0.880192966950213
Energy: 0.9926544038297611
Energy: 0.8847593549235225
Energy: 0.8993444934873368
Energy: 0.8715157507288392
Energy: 0.9552077610435421
Energy: 0.840193103561484
Energy: 0.9097291968135427
Energy: 0.98168195013475
Energy: 0.8965023985781834
Energy: 0.8540303202255521
Energy: 0.9641620013779476
Energy: 0.8885608151471437
Energy: 1.0095714515719758
Energy: 1.0094006339426267
Energy: 0.9255327052037535
Energy: 0.9502435265949478
Energy: 0.8889697600085237
Energy: 0.9716818551895414
Energy: 1.0412066667316597
Energy: 0.8838602021128368
Energy: 0.9502258090664337
Energy: 0.9602396627016639
Energy: 0.896532422741836
Energy: 0.8497293157460757
Energy: 0.9449432276358926
Energy: 0.9025452624138375
Energy: 0.8663412582565214
Energy: 0.8315483280482847
Energy: 1.0072163635659106
Energy: 0.8945314281910864
Energy: 0.8722680964852824
Energy: 0.9339018521664164
Energy: 0.7892454086283013
Energy: 0.9722467520331803
Energy: 0.8780346973670177
Energy: 0.9458038097330188
Energy: 0.9286182135894584
Energy: 1.0033824701446705
Energy: 0.9667518325683733
Energy: 0.9796051219678237
Energy: 1.0019771525614933
Energy: 0.8604117629060049
Energy: 0.891291953160795
Energy: 0.9703337365822291
Energy: 0.8724600509986138
Energy: 0.8581005779915878
Energy: 0.9239692269992452
Energy: 0.9940197474049045
Energy: 0.8083157178435673
Energy: 0.8598526966029604
Energy: 0.9446110533673304
Energy: 0.7484159130824471
Energy: 0.8508941283370985
Energy: 0.8610610854568296

minimum gb energy = 0.7484159130824471 eV
minimum distance =  2.28949585884464 Angstroms
sigma value = 311


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

Energy: 0.9273222737791311
Energy: 0.9349417573958725
Energy: 1.0025709893460646
Energy: 0.8935637175546409
Energy: 0.9073810746108157
Energy: 0.9178626004328787
Energy: 0.9536707321515426
Energy: 0.8843194894356986
Energy: 0.9545843844114723
Energy: 0.8442768457690144
Energy: 0.8686025575568118
Energy: 0.919967405914583
Energy: 0.9643252323362191
Energy: 0.9172208200219317
Energy: 0.8525326016667094
Energy: 0.9086134939449011
Energy: 0.8674761553832592
Energy: 0.8962889138440283
Energy: 0.9107758930876864
Energy: 0.9863445915047431
Energy: 0.89811716013642
Energy: 0.891113154185643
Energy: 0.9047073749890012
Energy: 0.8763976002931948
Energy: 0.8643456557308254
Energy: 0.9027155229460714
Energy: 0.8787400653101834
Energy: 0.8294452352387865
Energy: 0.9739693130331872
Energy: 0.8280966478697398
Energy: 0.8776656717846204
Energy: 0.8690012511290429
Energy: 0.8645757822196743
Energy: 0.8814782356826926
Energy: 0.8413502537311082
Energy: 0.8193225647879514
Energy: 0.8207877268787331
Energy: 0.8368644642427201
Energy: 0.8095483940964279
Energy: 0.8409146684754459
Energy: 0.942398929192919
Energy: 0.9154693460405894
Energy: 0.9184972101118417
Energy: 0.9254095556985
Energy: 0.9629171015422475
Energy: 0.8921751211517972
Energy: 0.9452268319741367
Energy: 0.8790340823788168
Energy: 0.9162945262952671
Energy: 0.8473587410759125
Energy: 0.9342925155132435
Energy: 0.8884144630379235
Energy: 0.8931655558533856
Energy: 0.9097900414164138
Energy: 0.9405979200246452
Energy: 0.8981389855048694
Energy: 0.9675840578035223
Energy: 0.9133358335074259
Energy: 0.8309528532351448
Energy: 0.9442210486943523
Energy: 0.8940705155144828
Energy: 0.9039556723445853
Energy: 0.8635765675631203
Energy: 0.8511505409346558
Energy: 0.9359806054059999
Energy: 0.9334306289273196
Energy: 0.9248737305072325
Energy: 0.9442604093331061
Energy: 0.8201361165356089
Energy: 0.8599910216544733
Energy: 0.8581408751620557
Energy: 0.8566558559215606
Energy: 0.9156478925715931
Energy: 0.940108586699057
Energy: 0.8416498687649923
Energy: 0.787421389825931
Energy: 0.8864408492589337
Energy: 0.8275750643821027
Energy: 0.8464717610220839
Energy: 0.8543944517299886
Energy: 0.871300365140907
Energy: 0.8918234717071776
Energy: 0.8510953701726808
Energy: 0.8410030286543434
Energy: 0.9206292916822929
Energy: 0.9060175930860377
Energy: 0.9087169186028681
Energy: 0.9138188324587283
Energy: 0.9020278260081923
Energy: 0.8991012509080231
Energy: 0.9242633255013836
Energy: 0.9103424040381756
Energy: 0.9218430434279211
Energy: 0.9074947034942056
Energy: 0.9754731003437084
Energy: 0.8685367704838586
Energy: 1.071998217566116
Energy: 0.8675991603873221
Energy: 0.9204613117720307
Energy: 0.9326599354292171
Energy: 0.9282723780360869
Energy: 0.9124360311077593
Energy: 0.873819434024459
Energy: 0.858322470666689
Energy: 0.8130592958958347
Energy: 0.8889879162911588
Energy: 0.9381718063777889
Energy: 0.8905380408281329
Energy: 0.8388349399208677
Energy: 0.8775649030013558
Energy: 0.9123446694471156
Energy: 0.8890742991034268
Energy: 0.9055209704608383
Energy: 0.9439866199813671
Energy: 0.9135792605587508
Energy: 0.9050343528189281
Energy: 0.8510107626757045
Energy: 0.9623163703732287
Energy: 0.8684834860117944
Energy: 0.8342546778913583
Energy: 0.902225867987208
Energy: 0.8767810992619859
Energy: 0.8090605369573911
Energy: 0.8694230466900513
Energy: 0.8074615536353948
Energy: 0.8360070970738711
Energy: 0.9245027763292978
Energy: 0.9122905042854275
Energy: 0.957454483643625
Energy: 0.8969443027752547
Energy: 0.8981765551757772
Energy: 0.9086361139319874
Energy: 0.9389649794270518
Energy: 0.9137616996048595
Energy: 0.8728988275424223
Energy: 0.9308878580444742
Energy: 0.8418595573022413
Energy: 0.8141918812579595
Energy: 1.1232083873219492
Energy: 0.8765859986869508
Energy: 0.9659531219507858
Energy: 0.8683840588457538
Energy: 0.918213070183211
Energy: 0.9124210782992637
Energy: 0.9088051996224051
Energy: 0.9220948403358198
Energy: 0.8283820218978846
Energy: 0.875180804166603
Energy: 0.8629252861710964
Energy: 0.9232234470455588
Energy: 0.7953537741015355
Energy: 0.837886851459964
Energy: 0.930451259175804
Energy: 0.8622125938031501
Energy: 0.9131265037077332
Energy: 0.8849251890318515
Energy: 0.9108671770886658
Energy: 0.7781578886842504
Energy: 0.9515424725844414
Energy: 0.9482143963667136
Energy: 0.8656659788298333
Energy: 0.945187287578006
Energy: 0.8528195458159074
Energy: 0.8207439619176975
Energy: 0.8034755369029414
Energy: 0.8028408503345981
Energy: 0.8783547452798388
Energy: 0.8382148079966787
Energy: 0.9733340875770485
Energy: 0.936287107804528
Energy: 0.9982552429554659
Energy: 0.9254550264842856
Energy: 0.8329460717617481
Energy: 0.8500962155015565
Energy: 0.8645722071824966
Energy: 1.0061598215221883
Energy: 1.0097453879498868
Energy: 0.9394665192975241
Energy: 0.9834477420872276
Energy: 0.8506919677840671
Energy: 1.125027697965442
Energy: 0.8661866610107977
Energy: 0.9042974279697364
Energy: 0.9028342958707825
Energy: 0.9955457050174995
Energy: 0.9278913508714159
Energy: 0.9325934755775633
Energy: 0.9150098068298737
Energy: 0.9337218260292168
Energy: 0.932773842562265
Energy: 0.9248177474656446
Energy: 0.844048874868055
Energy: 0.8486229206568741
Energy: 0.9143325057463813
Energy: 0.8116506229064745
Energy: 0.8584113130350179
Energy: 0.9019824486672857
Energy: 0.9090846443744758
Energy: 0.8976551735147372
Energy: 0.8623257769602595
Energy: 0.8648543696473768
Energy: 1.0377574408874566
Energy: 0.8961975803115878
Energy: 0.9505468239527173
Energy: 0.8876238210776539
Energy: 0.9336011619410852
Energy: 0.8318319548099758
Energy: 0.8130780501247827
Energy: 0.865172429509762
Energy: 0.834001693197593
Energy: 1.0590801697984997
Energy: 0.9318417386492837
Energy: 0.8501292818010301
Energy: 0.9475957193900729
Energy: 0.9214234140175067
Energy: 0.8866969253098439
Energy: 0.8877688972137765
Energy: 0.9166100425637171
Energy: 1.0299858498871577
Energy: 0.902994606492638
Energy: 0.9591814101072977
Energy: 0.9525491422569609
Energy: 1.015594559569576
Energy: 0.8261802132559651
Energy: 0.9520636662908623
Energy: 0.8637829499047126
Energy: 0.9547463296767027
Energy: 0.9220138213812843
Energy: 0.930701654087561
Energy: 0.9016283345010746
Energy: 0.9881243309614253
Energy: 0.9547579263910368
Energy: 0.8338839611670693
Energy: 0.8871846835387807
Energy: 0.776660627428151
Energy: 0.9004918879188358
Energy: 0.9292210899731708
Energy: 0.8149513146132303
Energy: 0.9237368253611707
Energy: 0.8791501907129541
Energy: 0.8931551540265863
Energy: 0.8273138512646503
Energy: 0.8097828312337387
Energy: 0.878437669720825
Energy: 0.8392896132383797
Energy: 0.931321264254874
Energy: 0.9003586203110742
Energy: 0.9831278379716384
Energy: 0.891783140228365
Energy: 0.8388568045947646
Energy: 0.906710067811925
Energy: 0.8129751408149831

minimum gb energy = 0.776660627428151 eV
minimum distance =  2.27699438552542 Angstroms
sigma value = 39


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

Energy: 0.9788323983813845
Energy: 0.8732537716195062
Energy: 0.8903781409812552
Energy: 1.1378797885208884
Energy: 0.7827316362350044
Energy: 0.7933613834475575
Energy: 0.9728757980900418
Energy: 0.8089019891309454
Energy: 0.7081104933232497
Energy: 0.8460364642469322
Energy: 0.7144199978100897
Energy: 1.029915437372078
Energy: 0.9911052065069037
Energy: 0.9851657914853537
Energy: 0.795422444101186
Energy: 0.9672919406829364
Energy: 0.9211794156012403
Energy: 0.8188976912901498
Energy: 0.9857945454863879
Energy: 0.9919428394942013
Energy: 0.9280788647562386
Energy: 0.8241486522928883
Energy: 0.8869461980067708
Energy: 0.7519224363957476
Energy: 0.6762144971842127
Energy: 0.8703908508824474
Energy: 0.8363193530122256
Energy: 0.9839203121287168
Energy: 1.0237771122823505
Energy: 1.0238408257328937
Energy: 0.8653598872222501
Energy: 0.8883337368922599
Energy: 0.662136718792165
Energy: 0.9294671704788579
Energy: 0.9183041520315706
Energy: 0.8074094228344362
Energy: 0.8914712952048435
Energy: 0.8472487105844605
Energy: 0.8785971781440367
Energy: 0.7627089781524038
Energy: 0.7631242098882038
Energy: 0.945764350617202
Energy: 0.8257373715148258
Energy: 0.885540667230876
Energy: 0.886576377611242
Energy: 0.8834020646655978
Energy: 0.9710114962729494
Energy: 0.9617525302388703
Energy: 0.9918400004897696
Energy: 0.9629603101183916
Energy: 0.8468051356605479
Energy: 0.9527268784538013
Energy: 0.7039355845774459
Energy: 0.7529153985627097
Energy: 0.7870203240500436
Energy: 0.8313333060479055
Energy: 0.9628700075290157
Energy: 0.8468586441584505
Energy: 0.724598662848808
Energy: 0.8831353145312875
Energy: 0.7418345717841253
Energy: 0.8530226662049238
Energy: 0.788502435515403
Energy: 0.8313883479928085
Energy: 0.7364293568810707
Energy: 0.8454046988021579
Energy: 0.9464793001555902
Energy: 1.0304142101323572
Energy: 1.0085068561895214
Energy: 0.9941633991149523
Energy: 0.8243653954246343
Energy: 0.9369614560294184
Energy: 0.7478406607869291
Energy: 0.677736029509327
Energy: 0.9349646462584257
Energy: 0.9225836200715527
Energy: 0.7408783275652743
Energy: 0.9296824955004425
Energy: 1.0289926532801998
Energy: 0.7305078126711871
Energy: 0.803450051811839
Energy: 0.7168361847675738
Energy: 0.7213925261178746
Energy: 0.9854732987174657
Energy: 0.969846645983606
Energy: 1.023106408506293
Energy: 0.9321359288249667
Energy: 0.8372621879733451
Energy: 0.8682753923403123
Energy: 0.8215244037620747
Energy: 0.991536954394532
Energy: 0.8288956519913477
Energy: 0.8437366703946555
Energy: 0.8393890965677221
Energy: 0.8235335947135244
Energy: 0.9726026936244635
Energy: 0.9707085088562153
Energy: 0.9978483030841887
Energy: 0.8089523320638774
Energy: 0.7080030262826241
Energy: 0.838370539028157
Energy: 0.9511281837209019
Energy: 0.9729738740265258
Energy: 0.8103155509256057
Energy: 0.9295570404688304
Energy: 0.9788927134316772
Energy: 0.6850224774241582
Energy: 0.8894486736403937
Energy: 0.8571305157400901
Energy: 0.7826190462907983
Energy: 0.7916184116819686
Energy: 0.9715360969783746
Energy: 0.9142041747461823
Energy: 0.7076542083989745
Energy: 0.8636594280573984
Energy: 0.874585726005289
Energy: 1.0286733326163835
Energy: 0.9913056568944207
Energy: 0.9840974011623767
Energy: 0.8676852462247873
Energy: 0.9670365982678625
Energy: 0.9220617171455768
Energy: 0.8184541235002359
Energy: 0.9861343209875005
Energy: 0.9925202228850624
Energy: 0.9032281127102084
Energy: 1.0260164420652098
Energy: 0.8858829906129299
Energy: 0.751867310865096
Energy: 0.7294876387775933
Energy: 0.86946594206109
Energy: 0.8447196056010297
Energy: 0.9840321775225872
Energy: 1.0230664510524032
Energy: 1.02290175016797
Energy: 0.8670792204729011
Energy: 0.8876223097427588
Energy: 0.7358718711528226
Energy: 0.8552683158542004
Energy: 0.9922573301066941
Energy: 0.8066741784948703
Energy: 0.8902659845514422
Energy: 0.8467164960805057
Energy: 0.8783827856016853
Energy: 0.7629097895742312
Energy: 0.9019251952317304
Energy: 0.9460313081543313
Energy: 0.8260231020159778
Energy: 0.7135781423891
Energy: 0.8868041711022714
Energy: 0.8832466496589636
Energy: 0.9721831679782906
Energy: 0.9621708414696337
Energy: 0.9924905095391408
Energy: 0.9630029851977786
Energy: 0.8467826593199482
Energy: 0.8836768999761976
Energy: 0.7044931551749977
Energy: 0.7526387148192432
Energy: 0.7873731637421131
Energy: 0.8310531614173507
Energy: 0.9630475089688904
Energy: 0.8476738530301406
Energy: 0.9203870331070362
Energy: 0.8822386394232
Energy: 0.741817151829157
Energy: 0.7963463665746466
Energy: 0.9452264321547198
Energy: 0.8227876115681438
Energy: 0.735482895670568
Energy: 0.8543081253705865
Energy: 0.9462670228330472
Energy: 1.0299702842818288
Energy: 0.9930179416340128
Energy: 0.9939983368819585
Energy: 0.8240102491405815
Energy: 0.9362862960680621
Energy: 0.7478650914412753
Energy: 0.6780069932324555
Energy: 0.9348614654016248
Energy: 0.8371083511388985
Energy: 0.7404055611579178
Energy: 0.9286073693475984
Energy: 1.0299688528027964
Energy: 0.7283795401063263
Energy: 0.8044087517909912
Energy: 0.7170843527044688
Energy: 0.7884262084834711
Energy: 0.9852915967225732
Energy: 0.9602256288952987
Energy: 1.0229321994820306
Energy: 0.9327386239011601
Energy: 0.8371655758887168
Energy: 0.7039845000338767
Energy: 0.8670509497982365
Energy: 0.9917230522036221
Energy: 0.8294541735427734
Energy: 0.843745104321733
Energy: 0.836907176445161
Energy: 0.8280158197539138
Energy: 0.9726223238310274
Energy: 0.9702770872213392
Energy: 0.9934016158970295
Energy: 0.8093048118202626
Energy: 0.7080564976992513
Energy: 0.838416157706285
Energy: 0.8803521884073428
Energy: 0.9728703037746494
Energy: 0.8991109695747039
Energy: 0.9013620861181687

minimum gb energy = 0.662136718792165 eV
minimum distance =  2.22910463433774 Angstroms
sigma value = 21


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

Energy: 1.2607121295658583
Energy: 1.0279877409087321
Energy: 0.8387089333742881
Energy: 1.0164704607290043
Energy: 0.9596524453398361
Energy: 0.911403861459944
Energy: 0.6380622177547668
Energy: 0.9913382287578367
Energy: 0.8506544185887596
Energy: 0.9833285012069869
Energy: 0.8491192717658014
Energy: 0.948704427486085
Energy: 0.9496251370773288
Energy: 0.9152710994561291
Energy: 0.9831836655920771
Energy: 0.7960807445865717
Energy: 0.5962814394141914
Energy: 0.6501069736077247
Energy: 0.5962091578306657
Energy: 0.8092781613603952
Energy: 0.9416055933675918
Energy: 0.3981868336468298
Energy: 0.8491476885463611
Energy: 1.0122090559031656
Energy: 0.8868760777260937
Energy: 1.0006810570816025
Energy: 0.891665554938498
Energy: 0.7651399768214618
Energy: 0.8740695666269886
Energy: 0.8351080658156319
Energy: 0.7874387149420421
Energy: 0.7966011460071757
Energy: 0.7860187498642687
Energy: 0.892834436356619
Energy: 0.8684059195057957
Energy: 0.8628743737257695
Energy: 0.7779164556671888
Energy: 0.9909525231369504
Energy: 0.7818369320628072
Energy: 0.7395590618057308
Energy: 0.8199278589733159
Energy: 0.8598638796448818
Energy: 0.5073393165219807
Energy: 0.6189454517263016
Energy: 0.9871644243471992
Energy: 0.8865355054275994
Energy: 0.8294558937493587
Energy: 0.8701888076646332
Energy: 0.7239475179370463
Energy: 0.9436486498874643
Energy: 0.7796242791374663
Energy: 0.8872457664396546
Energy: 0.8148970647712357
Energy: 0.8676657718289205
Energy: 0.6681371168236047
Energy: 0.8269398463343376
Energy: 0.8744636026258908
Energy: 0.8785885154791976
Energy: 0.8819212913800472
Energy: 0.5875472875528795
Energy: 0.8315795260233625
Energy: 0.9578279730453129
Energy: 0.8168746097555238
Energy: 0.9589177498946427
Energy: 1.0387528837903974
Energy: 0.7909524156718639
Energy: 0.8579435805782358
Energy: 0.5475570377992249
Energy: 0.9535754520789038
Energy: 0.9518504364367869
Energy: 0.9176487593116821
Energy: 0.7827623474931803
Energy: 0.6790507340337338
Energy: 0.8843250345734388
Energy: 0.8088795848293462
Energy: 0.8800560205863516
Energy: 0.9028881361612542
Energy: 0.9113970348815992
Energy: 0.8428678445434691
Energy: 0.6581910478486329
Energy: 0.8890908454256627
Energy: 0.8482887995922502
Energy: 0.9008462675806557
Energy: 0.8429783071502849
Energy: 0.9615562408967618
Energy: 0.8611758133826368
Energy: 0.7987025815522701
Energy: 0.8921213469430337
Energy: 0.9997799138197969
Energy: 0.5299338069134792
Energy: 0.8128883179870452
Energy: 0.9603281887434908
Energy: 0.8840817847146633
Energy: 0.935272547433882
Energy: 0.9588073136434168
Energy: 0.3650303984461334
Energy: 0.8571983132302394
Energy: 0.8838323305996943
Energy: 0.95174050778488
Energy: 0.79889447451954
Energy: 0.9073744717578422
Energy: 0.9572422276827168
Energy: 0.6994910787791377
Energy: 0.7933429303836388
Energy: 0.8157228685813892
Energy: 0.41268407015927616
Energy: 0.9149313058134894
Energy: 0.844806104983774
Energy: 0.5363419042528622
Energy: 1.0807522082118135
Energy: 0.9022695974637529
Energy: 0.8861664132686052
Energy: 0.9477193386864399
Energy: 0.9382341790028148
Energy: 0.8194576351883407
Energy: 0.7504072091982662
Energy: 0.9004913070484615
Energy: 0.8885227403506589
Energy: 0.7935288079880649
Energy: 0.8389622721525326
Energy: 0.8834166965935378
Energy: 1.0216968674728109
Energy: 0.8233349207021297
Energy: 0.7151392835330872
Energy: 0.8384032994935747
Energy: 0.8806617024936466
Energy: 0.35400074110771274
Energy: 0.8240054745305809
Energy: 0.8151522387752771
Energy: 0.9254271563392977
Energy: 0.898723890207704
Energy: 0.9572969917369566
Energy: 0.7242403513464651
Energy: 0.4097305963739855
Energy: 0.7490106160037875
Energy: 0.8842395538434491
Energy: 0.8697339762240375
Energy: 0.8347459956774522
Energy: 0.8529038344574579
Energy: 0.7216694504420386
Energy: 0.8871840265468594
Energy: 0.4031489310498833
Energy: 0.8654220820248312
Energy: 0.8441860321547984
Energy: 0.7979443878664569
Energy: 0.9003151965106992
Energy: 0.9294031445946959
Energy: 0.6742508013438353
Energy: 0.868541477850788
Energy: 0.9048078108582348
Energy: 0.8090726201870327
Energy: 0.8388185224168415
Energy: 0.8478414859369497
Energy: 0.7654182810443244
Energy: 0.9083215095884507
Energy: 0.9240185016255423
Energy: 0.7877201828061061
Energy: 0.8199536122268734
Energy: 0.8094636042145313
Energy: 0.8659998754523283
Energy: 0.6976607107316712
Energy: 0.7830668023256624
Energy: 0.9300801368686109
Energy: 0.9520377685398382
Energy: 1.016161388749421
Energy: 0.3763863018361175
Energy: 1.0203829378518716
Energy: 0.9546803360228326
Energy: 0.6011804800092075
Energy: 0.8928583960028644
Energy: 0.8355416677680898
Energy: 0.9529128462114838
Energy: 0.7793306775605555
Energy: 0.8292211374648006
Energy: 0.9088528272747072

minimum gb energy = 0.35400074110771274 eV
minimum distance =  2.29999091628801 Angstroms
sigma value = 113


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

Energy: 1.1513414877087842
Energy: -0.2561364966382966
Energy: 1.0810778791219522
Energy: -0.8394686901016274
Energy: 1.0171484352857634
Energy: 0.9845270852448444
Energy: -0.48130992653421034
Energy: 0.8832899062387064
Energy: 0.7411703282900683
Energy: -0.6097569606851739
Energy: -0.37703960488057164
Energy: -0.49734104658599576
Energy: -0.7570719456294022
Energy: 0.7968915063513703
Energy: -0.33157342948463686
Energy: 0.8917720640421504
Energy: 0.8069507199762396
Energy: -0.7626036920564093
Energy: -0.5337619209860197
Energy: 0.8833029902645289
Energy: 1.03918629731183
Energy: 0.8121277425233833
Energy: -0.4589042100908527
Energy: 0.141369617054864
Energy: -0.5444127747813264
Energy: -0.5222370648626432
Energy: 0.8999044499713454
Energy: 0.8676808957653966
Energy: 0.9223440308278245
Energy: 0.7626047972829375
Energy: -0.578122450976021
Energy: 0.7056194473682037
Energy: 0.7472186972114703
Energy: -0.33550174141498307
Energy: 0.7353827140075222
Energy: -0.8153693269189121
Energy: 0.7649676909286919
Energy: 1.079146195681403
Energy: -0.3581620536515011
Energy: 0.7869401986055913
Energy: 0.8826481099306995
Energy: 0.6807556567908594
Energy: 0.959212990518264
Energy: 0.7386179485550216
Energy: 0.8941358974186987
Energy: 0.7527019675800986
Energy: 0.8498531849215991
Energy: 0.7789890720993875
Energy: 0.7774949867571671
Energy: 0.9324920123079011
Energy: 0.6548872752311011
Energy: 0.7159249846565652
Energy: 0.7169759925911001
Energy: 0.6674463766619979
Energy: 0.02403037286590111
Energy: 0.7001570502332761
Energy: 0.7805947965762364
Energy: 0.7623318100222948
Energy: 0.9473801299436885
Energy: 0.7849263541968579
Energy: 0.655153705099885
Energy: 0.8068536744739498
Energy: 0.8294803168090527
Energy: 1.0990962534099966
Energy: 0.7939172020862647
Energy: 0.7391350639813364
Energy: 0.7321526370855942
Energy: 0.6857053014846807
Energy: 0.7763205670918972
Energy: 0.7299157170867578
Energy: 1.0596422296922643
Energy: 0.7074495277731008
Energy: 0.6653033613256735
Energy: 0.6920080284945342
Energy: 0.6256046279010583
Energy: 0.6333548384820902
Energy: 0.8072182841943567
Energy: 0.8207174227696621
Energy: 0.6644744109955006
Energy: 0.877845269209363
Energy: 0.8681531320113856
Energy: 0.9045954372253264
Energy: 0.7381902479111483
Energy: 0.7124563401213839
Energy: -0.49237934009854933
Energy: 0.6570508121635269
Energy: 0.8486799262489922
Energy: 0.8302972604984232
Energy: -0.7322989073428887
Energy: -0.9416681905368129
Energy: 0.6355754843901946
Energy: 1.0160286494333393
Energy: 0.7198601650124781
Energy: 0.846276122552218
Energy: 0.7426074882252507
Energy: 0.7507893910227136
Energy: 0.9217630755615008
Energy: 0.6767226049990064
Energy: 0.8471065287077425
Energy: 0.9260329623925129
Energy: 0.9868258273141431
Energy: 0.6635723712576678
Energy: 0.7705254389468987
Energy: 0.9542152896691571
Energy: 0.7835242250129127
Energy: 0.794062575842158
Energy: 0.620511821826871
Energy: 0.7390762270407505
Energy: 0.8442638355903908
Energy: -0.9526736579374702
Energy: -0.5871582353804492
Energy: 0.7882426103920506
Energy: 0.9908838111535172
Energy: 0.9165473864248522
Energy: 0.7652352386732455
Energy: 0.8010689202532119
Energy: -0.9294136618728716
Energy: -0.6175819731358196
Energy: 0.7367018306721108
Energy: -0.7834129646480521
Energy: 0.7863694672231424
Energy: -0.943128508349835
Energy: -0.44877746158644033
Energy: -0.5638238885590898
Energy: 0.8838491392771435
Energy: 0.8469768662898074
Energy: 0.8647679757147296
Energy: 0.926713274337907
Energy: -0.5730816362117374
Energy: 0.6987234655276886
Energy: 0.15526492784442517
Energy: -0.5134086288173983
Energy: -0.6880170579294486
Energy: 0.939972713703521
Energy: -0.39255014673195593
Energy: -0.8008679705078484
Energy: -0.33675164228772625
Energy: -0.4221168299374905
Energy: -0.61943579118344
Energy: -0.7342749886159665
Energy: 1.0784215195140945
Energy: 0.7124195068812155
Energy: -0.7369084178249113
Energy: -0.6140402612749019
Energy: -0.5892709775863708
Energy: 0.884629641157913
Energy: -0.9333486838137678
Energy: -0.30818061863217444
Energy: -0.5093030878127222
Energy: -0.6831411665111364
Energy: -0.2562082969394584
Energy: -0.7573383894842727
Energy: 0.8207307027192685
Energy: 0.8029351341760258
Energy: -0.5316384788399077
Energy: -0.5351287130681536
Energy: 1.0824449244966188
Energy: -1.0886597016780954
Energy: 1.0171769084769782
Energy: 0.9470364181475848
Energy: 0.8528969968737072
Energy: -0.2776245315428999
Energy: 0.7577047740910603
Energy: 0.724391949095505
Energy: -0.44363281626689877
Energy: -0.4929394167621213
Energy: 0.8610755893880894
Energy: 0.8947287339982379
Energy: 0.9057496205615586
Energy: 0.8723099844215808
Energy: -0.7850790663560676
Energy: -0.7543598478610173
Energy: -0.2194909538521723
Energy: 0.9434033260275398
Energy: 0.978213238615245
Energy: 1.0993108221834518
Energy: 0.20472228040308013
Energy: 0.06593507744769304
Energy: -0.7856656464621865
Energy: -0.7847403900323934
Energy: 0.9110487962029286
Energy: 0.8205211338571211
Energy: 0.868423624014871
Energy: 0.7640964179756049
Energy: -0.5423032074754418
Energy: 0.7585078773843379
Energy: -0.913993698232142
Energy: -0.44871869566336775
Energy: 0.8263988571000185
Energy: -0.6698703495537306
Energy: 0.8474183067118315
Energy: 0.9212649950221077
Energy: 0.8346499734196631
Energy: 0.860122698003189
Energy: 0.8699823839571883
Energy: 0.9080547667026877
Energy: 0.9890138037571434
Energy: 0.7124976313360166
Energy: 0.9355946485602323
Energy: 0.8350883324367021
Energy: -1.1874452008977507
Energy: 0.7787066365787022
Energy: 0.7782353030093501
Energy: 0.964797345955224
Energy: 0.6725231821824261
Energy: 0.6593664473755805
Energy: 0.72685325734277
Energy: -0.6733816033001393
Energy: -0.9888518373175341
Energy: 0.6921918984205869
Energy: 0.8199104516554937
Energy: 0.7634506863904343
Energy: 0.9327894536090665
Energy: 0.6957004647220596
Energy: 0.7761286374380801
Energy: 0.6232578632245888
Energy: 0.8297375871160761
Energy: 1.0080636050038927
Energy: 0.7142868764533421
Energy: 0.781785386707431
Energy: 0.7188990399083628
Energy: 0.6603936035468281
Energy: 0.7970342605313884
Energy: 0.7300490673677743
Energy: 1.0449868261555755
Energy: 0.6881927530792028
Energy: 0.6616495414221104
Energy: 0.8390793775923407
Energy: 0.7148582332821477
Energy: -0.8206105914506178
Energy: 0.7373629350836882
Energy: 0.8673608360999515
Energy: 0.6806503427512751
Energy: 0.754460372996701
Energy: 0.8686409300155736
Energy: 0.873904689452121
Energy: 0.5999432307417359
Energy: 0.6898827029939959
Energy: -0.5981188613255509
Energy: 0.6525215577289302
Energy: 0.651957256011476
Energy: 0.7809744513790402
Energy: -0.7076053285636309
Energy: 0.7547936860773002
Energy: 0.6358393617283989
Energy: 1.0565413170305817
Energy: 0.7815308388638302
Energy: 0.8477501577519491
Energy: 0.7428636132170958
Energy: -0.9018680941030199
Energy: 0.8881045525386154
Energy: 0.6710017168598588
Energy: 0.839101280768565
Energy: 0.7287788130648494
Energy: 1.0789310294816021
Energy: 0.6612970382784452
Energy: 0.7233555213951843
Energy: 0.8743681460504994
Energy: 0.6925863668368862
Energy: -0.614828207360995
Energy: 0.6196413475184328
Energy: 0.7540719666192179
Energy: 0.8269419274731018
Energy: 0.671523259414309
Energy: -0.8832707479794369
Energy: 0.7882227991406495
Energy: 1.0197745125305349
Energy: 0.7547281972584572
Energy: 0.10514617017263297
Energy: 0.800938022377585
Energy: -1.024809239205833
Energy: 0.9704604686796889
Energy: 0.7787509164433892
Energy: -0.744277772058045
Energy: 0.7980677226746667
Energy: -0.9681237793337276
Energy: -0.6602284554932247
Energy: -0.7891277473924738
Energy: 0.9194021182238917
Energy: 0.8459406178273845
Energy: -0.4117783772411325
Energy: 0.9466900595298866
Energy: -1.086672175005204
Energy: 0.7042994573898509
Energy: -0.44774121785469834
Energy: -0.4487468619451941
Energy: -0.7076211485698664
Energy: 0.9959305006592141
Energy: -0.438175731162958
Energy: 1.1628818121451319
Energy: -1.0142639505103042
Energy: -0.42287939161024174
Energy: 0.9828282730458753
Energy: -0.6747346006386228
Energy: 0.9444636433522481
Energy: 0.7140497735539687
Energy: 0.41507959326825256
Energy: -0.5811505034580782
Energy: -0.663467597631343
Energy: 0.8212527779790467
Energy: 0.7954685121511141
Energy: -0.43531308847935424
Energy: -0.43990075755269253
Energy: -0.6963176127483962
Energy: -0.374662955933912
Energy: -0.5708092351509639
Energy: 0.8740662899553141
Energy: 0.791006183051427
Energy: -0.668510300881431
Energy: 0.8511961848369195
Energy: -0.8678312045279369
Energy: -0.7822682717283679
Energy: -0.7004270360286785
Energy: -0.594234000635203
Energy: -0.47368529453801356

minimum gb energy = -1.1874452008977507 eV
minimum distance =  2.26663723497046 Angstroms
sigma value = 365


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

Energy: 1.0074337628542653
Energy: 0.46344659614205236
Energy: 0.4709498851040626
Energy: 0.4669002871938126
Energy: 0.46981824144851986
Energy: 0.47202440078815566
Energy: 0.4637063845664966
Energy: 0.9096177127999103
Energy: 0.4916478618138697
Energy: 0.9611611255084539
Energy: 0.46240960307747164
Energy: 0.4629133032316102
Energy: 0.9157468463910489
Energy: 0.4876663275235082
Energy: 0.9627756112592336
Energy: 0.49485943535812654
Energy: 0.4673217252554277
Energy: 0.4638404023712265
Energy: 0.4681368507615999
Energy: 0.47024584579862466
Energy: 0.46136607301074967
Energy: 0.9631328616480002
Energy: 0.49161928463548404
Energy: 0.4693645106577988
Energy: 0.4681020429408876
Energy: 0.46787279181864966
Energy: 0.4678056756826619
Energy: 0.4617702707739872
Energy: 0.884313762004271
Energy: 0.47340931754849147
Energy: 0.9072177104248179
Energy: 0.4559602552093213
Energy: 0.9449259930380258
Energy: 0.8856697298464413
Energy: 0.4624963494935224
Energy: 1.0081853552642677
Energy: 0.8798081968500504
Energy: 0.4676248526080206
Energy: 0.4661301821161343
Energy: 0.46661001941002805
Energy: 0.4710561340745131
Energy: 0.4622841736287195
Energy: 0.960855276048331
Energy: 0.49248860346557566
Energy: 0.9145745592957099
Energy: 0.4609202674482281
Energy: 0.465278403680926
Energy: 0.4659425498059076
Energy: 0.45967627528932153
Energy: 0.9610885120805078
Energy: 0.4899286600904922
Energy: 0.4708562391203016
Energy: 0.46285250048132925
Energy: 0.4665442304715722
Energy: 0.46339792836767607
Energy: 0.49349855082924693
Energy: 0.9607301027458887
Energy: 0.8800942709653621
Energy: 0.46992825352099776
Energy: 0.46698678977346836
Energy: 0.4693857157947717
Energy: 0.4695593978349469
Energy: 0.46060677560213786
Energy: 0.9957767717991112
Energy: 0.4613738756607828
Energy: 0.8862494363773593
Energy: 0.4571286021782451
Energy: 0.456709462112902
Energy: 0.9345879975267829
Energy: 0.46483653334573066
Energy: 1.0116107139215107
Energy: 0.49966382751964733
Energy: 0.46928508652742484
Energy: 0.4688595171761235
Energy: 0.4694570731853725
Energy: 0.4691346227481966
Energy: 0.45994235768386726
Energy: 0.9623398829229542
Energy: 0.4943649594177338
Energy: 0.46684257465611523
Energy: 0.46193634802602423
Energy: 0.46467234414129593
Energy: 0.46758306699085866
Energy: 0.4898353032267258
Energy: 0.9672496659700965
Energy: 0.492425684599962
Energy: 0.9158031505161779
Energy: 0.46244813283452396
Energy: 0.46065303937631363
Energy: 0.9157282114056313
Energy: 0.49376781609293613
Energy: 1.0077506127445715
Energy: 0.8794720524020937
Energy: 0.47006287732589264
Energy: 0.46532964780066494
Energy: 0.46903162547628713
Energy: 0.47018842196098204
Energy: 0.46127319161709035
Energy: 0.8860175683276081
Energy: 0.49089568185985033
Energy: 0.8861167075959726
Energy: 0.6206108254392312
Energy: 0.4535728015050745
Energy: 0.9151355269991075
Energy: 0.49292602981006417
Energy: 0.9619722010275531
Energy: 0.5042196486121255
Energy: 0.4688274335690273
Energy: 0.4649805118188695
Energy: 0.4696634523377303
Energy: 0.46882880119811754
Energy: 0.46011921915761445
Energy: 0.962061462529251
Energy: 0.4931891334868772
Energy: 0.46868019062729327
Energy: 0.4673101765153234
Energy: 0.46698153864171443
Energy: 0.46722769292334926
Energy: 0.4620912880639936
Energy: 0.8837803512388078
Energy: 0.4821335501300121
Energy: 0.9548398664266347
Energy: 0.46173495011985305
Energy: 0.46194808026954
Energy: 0.9698709133253753
Energy: 0.49453957420483724
Energy: 1.0075893034551755
Energy: 0.4886300996881309
Energy: 0.47090439927479777
Energy: 0.467411635426728
Energy: 0.4734070788748453
Energy: 0.47193648593271603
Energy: 0.4634521440963951
Energy: 0.9619509469173051
Energy: 0.49453330557299013
Energy: 0.9525638612320518
Energy: 0.46171150224854307
Energy: 0.463309713643792
Energy: 0.9169738908541257
Energy: 0.48711724983040877

minimum gb energy = 0.4535728015050745 eV
minimum distance =  2.4155388912929 Angstroms
sigma value = 23