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
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: 0.020129373369262755
Energy: 0.4727679423375487
Energy: 0.26408972362549776
Energy: 0.47280052106652526
Energy: 0.020129373369262755
Energy: 0.4727679423375487
Energy: 0.26408972362549776
Energy: 0.4870934782372287
Energy: 0.0207122710625748
Energy: 0.2432925623996492
Energy: 0.021008225623498904
Energy: 0.4870934782372287
Energy: 0.0207122710625748
Energy: 0.24329256240215832
Energy: 0.020129373369262755
Energy: 0.4727679423378053
Energy: 0.26408972362549776
Energy: 0.47280052106652526
Energy: 0.020129373369262755
Energy: 0.4727679423378053
Energy: 0.26408972362549776
Energy: 0.4870934782372287
Energy: 0.0207122710625748
Energy: 0.2432925623996492
Energy: 0.021008225623498904
Energy: 0.4870934782372287
Energy: 0.0207122710625748
Energy: 0.24329256240215832
Energy: 0.020129373369262755
Energy: 0.4727679423378053
Energy: 0.26408972362549776
Energy: 0.47280052106652526
Energy: 0.020129373369262755
Energy: 0.4727679423375487
Energy: 0.26408972362549776
Energy: 0.4870934782372287
Energy: 0.0207122710625748
Energy: 0.2432925623996492
Energy: 0.021008225623498904
Energy: 0.4870934782372287
Energy: 0.0207122710625748
Energy: 0.24329256240215832

minimum gb energy = 0.020129373369262755 eV
minimum distance =  2.52963429825233 Angstroms
sigma value = 5


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

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Energy: 0.9624037896571016
Energy: 0.8641890539742992
Energy: 0.9441738785590621
Energy: 0.9089054227306724
Energy: 0.9624037896571016
Energy: 0.8951543787103838
Energy: 0.8528208409439824
Energy: 0.9173240518081811
Energy: 0.968287477258296
Energy: 0.9269455861634556
Energy: 0.8528208409409171
Energy: 0.9173240518051158
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Energy: 0.8727751041448111
Energy: 0.8591880720007378
Energy: 0.874747940953315
Energy: 0.8821332109095068
Energy: 0.8727751041448111
Energy: 1.011060328453855
Energy: 0.8036756983650238
Energy: 0.8370329700506562
Energy: 0.9291271447020231
Energy: 1.0110603284599857
Energy: 0.8036756983588931
Energy: 0.8370329700506562
Energy: 0.9745354994543661
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Energy: 0.856213241476946
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Energy: 0.873135798004826
Energy: 0.8893754681520549
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Energy: 0.9720871945508543
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Energy: 0.8961915591855558
Energy: 0.8907960189410793
Energy: 0.9720871945477889
Energy: 0.8728786765039138
Energy: 0.8961915591855558
Energy: 0.9212725429930703
Energy: 0.9569389091630897
Energy: 0.8915615117677385
Energy: 0.9260640263717317
Energy: 0.9212725429869395
Energy: 0.9569389091600241
Energy: 0.891561511764673
Energy: 0.9404449205577285
Energy: 0.8754558229683912
Energy: 0.8921584884123545
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Energy: 0.9298476501039156
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Energy: 0.8356686826946748
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Energy: 0.9217315553455824
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Energy: 0.913202953956601
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Energy: 0.941016628818935
Energy: 0.9686326599725645
Energy: 0.8848836817473867
Energy: 0.8811340336172693
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Energy: 0.9686326599664339
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Energy: 0.9637363370066302
Energy: 0.8899406210255579
Energy: 0.8667997152018961
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Energy: 0.9637363370066302
Energy: 0.8646156477240491
Energy: 1.006471387302088
Energy: 0.8981487667676515
Energy: 0.9046133957307273
Energy: 0.8982824936933738
Energy: 1.006471387302088
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Energy: 0.9046133957184659
Energy: 0.9025193431426813
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Energy: 0.8940386510588311
Energy: 0.9399048102943943
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Energy: 0.92441687239744
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Energy: 0.9555400616492826
Energy: 0.8505150817343847
Energy: 0.9472434281536096
Energy: 0.8767844221463829
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Energy: 0.9599319445985353
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Energy: 0.8419012842278284
Energy: 0.8867200293241632
Energy: 0.9599319445985353
Energy: 0.8772642890552939
Energy: 0.8419012842308937
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Energy: 0.8357618350370419
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Energy: 0.909954943339667
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Energy: 0.9388170030601433
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Energy: 0.9070683274618215
Energy: 0.8738555191615378
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Energy: 0.9070683274618215
Energy: 0.9351899666119177
Energy: 1.0047211181543918
Energy: 0.8086955146182059
Energy: 0.5406512677295906
Energy: 0.935189966614983
Energy: 1.0047211181574571
Energy: 0.8086955146120752
Energy: 0.9259626399639576
Energy: 0.8780830937166244
Energy: 0.8722098518972426
Energy: 0.92737255987334
Energy: 0.9259626399639576
Energy: 0.8780830937288302
Energy: 0.8722098518941773
Energy: 0.9445675504027994
Energy: 0.9202682060784293
Energy: 0.8862115342167294
Energy: 0.9296539245660028
Energy: 0.9445675504058646
Energy: 0.9202682060784293
Energy: 0.8862115342167294
Energy: 0.9903455870274358
Energy: 0.9244083478784927
Energy: 0.9281938416528226
Energy: 0.8959589008201496
Energy: 0.9903455870396974
Energy: 0.9244083478815023
Energy: 0.9281938416497572
Energy: 0.9807504742690938
Energy: 0.480549213984993
Energy: 0.8297995038693968
Energy: 1.0013377227825953
Energy: 0.9807504742629631
Energy: 0.48054921398805833
Energy: 0.8297995038632662
Energy: 0.8857092746090259
Energy: 0.9020129828624996
Energy: 0.8751734106597404
Energy: 0.9216494600030133
Energy: 0.8857092746151566
Energy: 0.9020129828563688
Energy: 0.8751734106688808
Energy: 0.9332383197757638
Energy: 0.912323732570498
Energy: 0.8199620492420404
Energy: 0.904556937072886
Energy: 0.9332383197726984
Energy: 0.9123237325643673
Energy: 0.8199620492389751
Energy: 0.97560168877389
Energy: 0.9204004054464695
Energy: 0.8399006065754906
Energy: 0.8995548942890005
Energy: 0.9756016887646938
Energy: 0.9204004054526002
Energy: 0.8399006065754906
Energy: 0.9173759606537651
Energy: 0.8876339845688315
Energy: 0.8438029976755561
Energy: 0.8850071911136539
Energy: 0.9173759606537651
Energy: 0.8876339845749623
Energy: 0.8438029976786214

minimum gb energy = 0.480549213984993 eV
minimum distance =  2.2687458562153 Angstroms
sigma value = 401


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

Energy: 0.9903451138939182
Energy: 0.9571591205222912
Energy: 0.8817167553660962
Energy: 0.9854657287709889
Energy: 0.9903451138939182
Energy: 0.9571591205188118
Energy: 0.8976463483119435
Energy: 0.9163891772085089
Energy: 0.8457910816525066
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Energy: 1.0202478943757027
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Energy: 0.7985975351347177
Energy: 0.8379460067080107
Energy: 1.0428012799024444
Energy: 0.9391658026014015
Energy: 0.8163607127835049
Energy: 0.9245031224502817
Energy: 1.0428012799024444
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Energy: 0.9620403513651197
Energy: 0.9784431773491279
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Energy: 0.9245031224502817
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Energy: 0.8818156142004187
Energy: 0.9368229572815585
Energy: 0.9727106264957334
Energy: 0.9633423675519334
Energy: 0.926400672737031
Energy: 0.9368229572850378
Energy: 0.9727106264957334
Energy: 0.9630331694717309
Energy: 0.9276610771526689
Energy: 0.9904113192779695
Energy: 0.9758129289724042
Energy: 1.0519821628341888
Energy: 0.9276610771561483
Energy: 0.9904113192779695
Energy: 0.9758129289724042
Energy: 0.9599005079934045
Energy: 0.9212881147491466
Energy: 0.9731855078279341
Energy: 0.832209986941615
Energy: 0.9599005079968841
Energy: 0.9212881147561057
Energy: 0.9731855078279341
Energy: 1.042840025316103
Energy: 0.909938069071555
Energy: 0.9721967463452659
Energy: 0.7156237190605308
Energy: 1.0428400253126233
Energy: 0.9099380690680753
Energy: 0.9721967463452659
Energy: 1.0099795264260993
Energy: 0.9012013321066696
Energy: 0.9037662202241741
Energy: 0.8597438455501419
Energy: 1.0099795264226197
Energy: 0.9012013321066696
Energy: 0.9037662202241741
Energy: 0.9708727600467177
Energy: 0.9936723987659901
Energy: 0.9133646985144261
Energy: 0.8747238720663789
Energy: 0.9708727600467177
Energy: 0.9936723987659901
Energy: 0.9133646985144261
Energy: 1.0515157322272437
Energy: 0.9571591205222912
Energy: 0.8976463483084639
Energy: 0.9854657287709889
Energy: 1.0515157322342026
Energy: 0.9571591205153323
Energy: 0.8976463483119435
Energy: 0.9163891772085089
Energy: 0.845791081655986
Energy: 0.826428486903899
Energy: 0.9632460155286136
Energy: 0.9163891772085089
Energy: 0.8457910816525066
Energy: 0.8264284869004194

minimum gb energy = 0.7156237190570511 eV
minimum distance =  2.29658830228728 Angstroms
sigma value = 311


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

Energy: 0.940057340932135
Energy: 1.0082775631118945
Energy: 1.005124650135883
Energy: 1.007988780068644
Energy: 0.9400573409337422
Energy: 1.0082775631131
Energy: 0.9134368112288543
Energy: 1.0087957916686674
Energy: 0.9760728946660092
Energy: 0.9809628370554128
Energy: 0.9195438017108
Energy: 1.0087957916678638
Energy: 0.9760728946656075
Energy: 0.9809628370562163
Energy: 0.8930421831392311
Energy: 0.8364471529160327
Energy: 0.9045109537267404
Energy: 0.8378644972530594
Energy: 0.893042183135615
Energy: 0.8364471529140239
Energy: 0.868538551131784
Energy: 0.8855901418623542
Energy: 0.8914202397427852
Energy: 0.9106191122274861
Energy: 0.9334510206358759
Energy: 0.8855901418655684
Energy: 0.8914202397419816
Energy: 0.9106191122270842
Energy: 0.922087358104092
Energy: 0.8947493582909153
Energy: 0.8977096913137668
Energy: 0.8360469425288164
Energy: 0.9220873581020831
Energy: 0.8947493582917189
Energy: 0.8977096913133651
Energy: 0.9660321194920293
Energy: 0.8837716396610071
Energy: 0.8750698594977105
Energy: 0.957382097146748
Energy: 0.9660321194916276
Energy: 0.883771639663016
Energy: 0.8750698594973089
Energy: 0.9914976420926963
Energy: 0.9031685628016223
Energy: 0.831528251503558
Energy: 0.8624599344422832
Energy: 0.9914976420918928
Energy: 0.9031685628024259
Energy: 0.8752437899062483
Energy: 0.8577773236659954
Energy: 0.8896569145491454
Energy: 0.9279604854179909
Energy: 0.9140135723895453
Energy: 0.8577773236659954
Energy: 0.8896569145495471
Energy: 0.9279604854143748
Energy: 0.9906627304155866
Energy: 0.8635153683747804
Energy: 0.9543524982180646
Energy: 0.8391658156894819
Energy: 0.9906627304159885
Energy: 0.8635153683743785
Energy: 0.9541698038466923
Energy: 0.9132437317682601
Energy: 0.8759476102200188
Energy: 0.950920110286918
Energy: 0.925972590158198
Energy: 0.9132437317710727
Energy: 0.875947610221224
Energy: 0.9509201102849091
Energy: 0.887851185784385
Energy: 0.7634895601176024
Energy: 0.9028541125743604
Energy: 0.8982508024300019
Energy: 0.8878511857839834
Energy: 0.763489560119173
Energy: 0.902854112573557
Energy: 0.9245739417550484
Energy: 0.8855604859988607
Energy: 0.9145005044995081
Energy: 0.9213937343041021
Energy: 0.92457394175545
Energy: 0.8855604859968519
Energy: 0.9145005045023206
Energy: 0.9203141255263667
Energy: 0.9320603877135691
Energy: 0.9134180450416394
Energy: 0.9243584283156585
Energy: 0.920314125525965
Energy: 0.9320603877139708
Energy: 0.9134180450412376
Energy: 0.9433885131097182
Energy: 0.8366284090112139
Energy: 0.9078323947799022
Energy: 0.8402582089697191
Energy: 0.9433885131101201
Energy: 0.8366284090084014
Energy: 0.9078323947803041
Energy: 0.9471639751692059
Energy: 0.8892608096005565
Energy: 0.9384111979262727
Energy: 0.9318525999173554
Energy: 0.9471639751684024
Energy: 0.889260809599753
Energy: 0.9384111979254691
Energy: 0.9196499968933466
Energy: 0.9637236973792659
Energy: 0.930333889552214
Energy: 0.8787123038995507
Energy: 0.9196499968949537
Energy: 0.963723697380873
Energy: 0.9303338895638654
Energy: 0.9198185352675159
Energy: 0.887913877847764
Energy: 0.8861150286466646
Energy: 0.9185895470096168
Energy: 0.9198185352675159
Energy: 0.8879138778481659
Energy: 0.8861150286474682
Energy: 0.9198576848007989
Energy: 0.9031270354520845
Energy: 0.9376603724425437
Energy: 0.8750481114009163
Energy: 0.9198576848003972
Energy: 0.9031270354532898
Energy: 0.9376603724481686
Energy: 0.9376162074750449
Energy: 0.868642466244696
Energy: 0.9079306617817455
Energy: 0.8469628277821108
Energy: 0.9376162074758484
Energy: 0.8686424662442943
Energy: 0.9079306617801384
Energy: 0.8574221208452523
Energy: 0.9044077223006538
Energy: 0.870941026687238
Energy: 0.8425704029763937
Energy: 0.8574221208464575
Energy: 0.9044077223042698
Energy: 0.8709410266591135
Energy: 0.9915197783777615
Energy: 0.8403697973853608
Energy: 1.0544122038544954
Energy: 0.9243841563183168
Energy: 0.9915197783757527
Energy: 0.8403697973845573
Energy: 1.054412203855701
Energy: 0.9378343800870512
Energy: 0.9819036673401734
Energy: 0.9028166250730164
Energy: 0.8988947500427071
Energy: 0.9378343800850424
Energy: 0.9819036673397715
Energy: 0.9028166250734182
Energy: 0.9030367069134266
Energy: 0.8362731028384448
Energy: 0.87450715492577
Energy: 0.8946555697162214
Energy: 0.9030367069146321
Energy: 0.8362731028380432
Energy: 0.8745071549237613
Energy: 0.8836393447224593
Energy: 0.9334426897807122
Energy: 0.9095818959198918
Energy: 0.893676699130896
Energy: 0.8836393447216557
Energy: 0.933442689779507
Energy: 0.9095818959054278
Energy: 0.9214722475728709
Energy: 0.905767833481802
Energy: 0.9176034884642302
Energy: 0.852314080224951
Energy: 0.9214722475728709
Energy: 0.905767833481802
Energy: 0.9176034884642302
Energy: 0.9862800550728494
Energy: 0.9600122292825255
Energy: 0.9100860052230547
Energy: 0.9769907921572074
Energy: 0.9862800550732511
Energy: 0.9600122292821236
Energy: 0.9100860052238583
Energy: 0.9213216157424783
Energy: 1.008244049350381
Energy: 0.9141108632221291
Energy: 1.008214522671569
Energy: 0.921321615741273
Energy: 1.0082440493523896
Energy: 0.9141108632229327
Energy: 1.0194578596334902
Energy: 0.9593655878156149
Energy: 0.9585163395707655
Energy: 0.943230264122659
Energy: 1.019457859633892
Energy: 0.9593655878160167
Energy: 0.9585163395687567
Energy: 0.8789877991585505
Energy: 0.8910350086900817
Energy: 0.8915615247728971
Energy: 0.8442722426736944
Energy: 0.8789877991573452
Energy: 0.8910350086912872
Energy: 0.8915615247732988
Energy: 0.8834864993130337
Energy: 0.8766377625990083
Energy: 0.8787848240047353
Energy: 0.8840324168744409
Energy: 0.8834864993130337
Energy: 0.8766377625998119
Energy: 0.8787848240051371
Energy: 0.922560010031145
Energy: 0.8952610616854355
Energy: 0.8677386885814329
Energy: 0.8361573823132261
Energy: 0.9225600100315466
Energy: 0.8952610616886496
Energy: 0.8677386885806294
Energy: 0.9626478855849151
Energy: 0.8987872450385082
Energy: 0.856874936181705
Energy: 0.9583512367633964
Energy: 0.9626478855845133
Energy: 0.8987872450397135
Energy: 0.856874936183312
Energy: 0.9585547645536386
Energy: 0.819286562124563
Energy: 0.8789004868443824
Energy: 0.845299704991717
Energy: 0.9585547645528351
Energy: 0.819286562262702
Energy: 0.8789004868439805
Energy: 0.8573129807948399
Energy: 0.871310485136186
Energy: 0.952811845608155
Energy: 0.9275905428374103
Energy: 0.8573129807972505
Energy: 0.871310485136186
Energy: 0.9528118456077533
Energy: 0.9375357796005676
Energy: 0.8636176786787678
Energy: 0.985245220929456
Energy: 0.8521480927697747
Energy: 0.9375357796021747
Energy: 0.8636176786795714
Energy: 0.9852452209298578
Energy: 0.9170466125321468
Energy: 0.8757922703206988
Energy: 0.9262543597923935
Energy: 0.9433771283235896
Energy: 0.917046612533352
Energy: 0.87579227031869
Energy: 0.9262543597923935

minimum gb energy = 0.7634895601176024 eV
minimum distance =  2.31238216533661 Angstroms
sigma value = 39


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

Energy: 0.8835211101034988
Energy: 0.9532387890430617
Energy: 0.9124740562393426
Energy: 0.9649313988764987
Energy: 0.8835211101020761
Energy: 0.9532387890449585
Energy: 0.801141581282802
Energy: 1.0253250694332274
Energy: 0.847367468614695
Energy: 0.7374610622844175
Energy: 0.8476743920821954
Energy: 1.025325069431331
Energy: 0.8473674686180144
Energy: 0.7374610622863143
Energy: 0.8837170541306365
Energy: 0.8427521699394537
Energy: 0.7272948451743831
Energy: 1.0490744476018534
Energy: 0.8837170541301623
Energy: 0.8427521699399277
Energy: 0.7272948451758057
Energy: 1.0547322953895548
Energy: 0.847597459683895
Energy: 0.7375417328006343
Energy: 0.7883028232241358
Energy: 1.0547322953909772
Energy: 0.8475974596919561
Energy: 0.7375417327977893
Energy: 0.9723331571029427
Energy: 0.8463317604979658
Energy: 1.0253431520814011
Energy: 1.0501471549491954
Energy: 0.9723331571034167
Energy: 0.8463317605022332
Energy: 1.0253431520832976
Energy: 1.0548194163037834
Energy: 0.7256219842802255
Energy: 1.1417094620388846
Energy: 0.7872114772662787
Energy: 1.0548194162985673
Energy: 0.7256219842806998
Energy: 1.1417094620360393
Energy: 1.093335316076256
Energy: 0.8456026434299974
Energy: 0.8974340180598057
Energy: 0.8650474194239022
Energy: 1.0933353160781525
Energy: 0.8456026434309457
Energy: 0.897434018060754
Energy: 1.0549631557452293
Energy: 0.7595397715833184
Energy: 1.1944518260437003
Energy: 0.8562236879990172
Energy: 1.054963155749971
Energy: 0.759539771584741
Energy: 1.1944518260413293
Energy: 1.0931515211792309
Energy: 0.8656469586807641
Energy: 0.883646920764704
Energy: 0.845604902472679
Energy: 1.0931515211787568
Energy: 0.865646958683135
Energy: 0.8855502409993556
Energy: 1.0548421309098996
Energy: 0.7880388266271904
Energy: 1.1418291591503669
Energy: 0.725673805740933
Energy: 1.0548421309080032
Energy: 0.7880388266271904
Energy: 1.1418291591503669
Energy: 0.9723645762456806
Energy: 1.0488944032458907
Energy: 0.8138186461486093
Energy: 0.9053275150358143
Energy: 0.9723645762442581
Energy: 1.0488944032454164
Energy: 0.8435419753048516
Energy: 1.0547708679184151
Energy: 0.7877720252791788
Energy: 0.737487738517006
Energy: 0.8475202316871606
Energy: 1.0547708679150958
Energy: 0.7877720252834032
Energy: 0.7374877385174803
Energy: 0.8835293222074622
Energy: 0.8648243812879804
Energy: 0.8509927835839698
Energy: 0.8428727648825877
Energy: 0.8835293222069881
Energy: 0.8648243812926791
Energy: 0.8086408844036518
Energy: 1.0253558426444136
Energy: 0.8477491456244436
Energy: 0.7374495770259705
Energy: 0.847469216634592
Energy: 1.0253558426401457
Energy: 0.8477491456211245
Energy: 0.7374495770307121
Energy: 0.8835211101030245
Energy: 0.95323878904401
Energy: 0.8011415812842246
Energy: 0.9649314005287483
Energy: 0.8835211101020761
Energy: 0.9532387890449585
Energy: 0.8011415812846987
Energy: 1.0253250694327534
Energy: 0.8473674686151693
Energy: 0.7374610622839433
Energy: 0.8476743920817214
Energy: 1.025325069431331
Energy: 0.8473674686170659
Energy: 0.73746106228584
Energy: 0.8837170541301623
Energy: 0.8427521699399277
Energy: 0.7272948451758057
Energy: 1.0490744476023275
Energy: 0.8837170541296882
Energy: 0.8427521699404019
Energy: 0.7272948451762798
Energy: 1.0547322953914515
Energy: 0.8475974596848432
Energy: 0.7375417328006343
Energy: 0.7883028232241358
Energy: 1.0547322953905032
Energy: 0.8475974596905335
Energy: 0.737541732797315
Energy: 0.9723331571010889
Energy: 0.8463317604993883
Energy: 1.0253431520832976
Energy: 1.0501471549491954
Energy: 0.9723331571019942
Energy: 0.8463317605022332
Energy: 1.0253431520823493
Energy: 1.0548194163033093
Energy: 0.7256219842806998
Energy: 1.1417094620369879
Energy: 0.7872114772662787
Energy: 1.054819416299516
Energy: 0.7256219842811741
Energy: 1.1417094620341428
Energy: 1.0933353160767303
Energy: 0.8456026434314199
Energy: 0.9166117879174938
Energy: 0.8650474194305406
Energy: 1.0933353160776784
Energy: 0.8456026434299974
Energy: 0.9166117879170197
Energy: 1.0549631557438066
Energy: 0.7595397715814216
Energy: 1.1944518260437003
Energy: 0.856223687998543
Energy: 1.0549631557485486
Energy: 0.7595397715818959
Energy: 1.1944518260408552
Energy: 1.0931515211792309
Energy: 0.8656469586821866
Energy: 0.8855502410012523
Energy: 0.845604902472679
Energy: 1.0931515211792309
Energy: 0.8656469586840834
Energy: 0.8855502409984073
Energy: 1.054842130910848
Energy: 0.788038826626242
Energy: 1.141829159151315
Energy: 0.7256738057395106
Energy: 1.0548421309080032
Energy: 0.7880388266281387
Energy: 1.1418291591522636
Energy: 0.9723645762433097
Energy: 1.0488944032463647
Energy: 0.7580540380727618
Energy: 0.905327515034866
Energy: 0.9723645762442581
Energy: 1.0488944032435197
Energy: 0.8015368339704667
Energy: 1.0547708679184151
Energy: 0.7877720252787045
Energy: 0.737487738517006
Energy: 0.8475202316876346
Energy: 1.0547708679146217
Energy: 0.7877720252824548
Energy: 0.737487738517006
Energy: 0.8835293222069881
Energy: 0.8648243812875062
Energy: 0.7844366282101086
Energy: 0.8428727648825877
Energy: 0.8835293222065138
Energy: 0.8648243812922048
Energy: 0.7844366282157987
Energy: 1.025355842643465
Energy: 0.8477491456244436
Energy: 0.7374495770269187
Energy: 0.847469216634592
Energy: 1.0253558426401457
Energy: 0.8477491456220728
Energy: 0.7374495770307121
Energy: 0.8835211101025502
Energy: 0.95323878904401
Energy: 0.8011415812842246
Energy: 0.9649314014354616
Energy: 0.8835211101034988
Energy: 0.95323878904401
Energy: 0.8011415812794828
Energy: 1.0253250694337017
Energy: 0.8473674686123243
Energy: 0.7374610622839433
Energy: 0.8476743920817214
Energy: 1.025325069432279
Energy: 0.8473674686180144
Energy: 0.7374610622863143

minimum gb energy = 0.7256219842802255 eV
minimum distance =  2.27695637604853 Angstroms
sigma value = 21


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

Energy: 0.8357425791717114
Energy: 0.985059522340634
Energy: 0.8739343632888639
Energy: 1.051804808067201
Energy: 0.8357425792597566
Energy: 0.9850595223389071
Energy: 0.849419856573476
Energy: 0.9168443962620526
Energy: 0.8791898024625798
Energy: 0.8647524385202651
Energy: 0.8360124868802847
Energy: 0.9168443962626283
Energy: 0.8791898024631555
Energy: 0.8647524385196894
Energy: 0.8258882339212454
Energy: 0.9726789985318135
Energy: 0.7778834111849678
Energy: 0.8379931355236874
Energy: 0.825888233921821
Energy: 0.972678998531238
Energy: 0.7778834111855436
Energy: 0.9916098336841145
Energy: 0.8786602883049761
Energy: 0.8939773894213809
Energy: 0.8767083588493887
Energy: 0.9916098336841145
Energy: 0.8786602883049761
Energy: 0.8939773894208054
Energy: 0.872167758168958
Energy: 0.82298701836726
Energy: 0.87111134336174
Energy: 0.8314340471024078
Energy: 0.8721677581672311
Energy: 0.82298701836726
Energy: 0.8711113433594376
Energy: 0.9630689473262078
Energy: 0.8713020181808558
Energy: 0.9379407674522232
Energy: 0.8740835253681728
Energy: 0.9630689473244809
Energy: 0.8713020181797047
Energy: 0.9379407674527988
Energy: 0.9148724755584894
Energy: 0.9226506587632355
Energy: 0.9074331618430512
Energy: 0.8029790308886707
Energy: 0.914872475559065
Energy: 0.9226506587615084
Energy: 0.9074331618430512
Energy: 0.8879458607077839
Energy: 0.9463018212544003
Energy: 1.0283668846122773
Energy: 0.8122014572240515
Energy: 0.88794586069512
Energy: 0.9463018212526735
Energy: 1.0283668846128529
Energy: 0.8868730867784834
Energy: 0.7287110003647824
Energy: 0.9477366564693004
Energy: 0.8645000838812075
Energy: 0.8868730867779078
Energy: 0.7287110004355587
Energy: 0.947736656469876
Energy: 0.9609496018628724
Energy: 0.8664304655304003
Energy: 0.8373983660047353
Energy: 0.8147582988624166
Energy: 0.9609496018640236
Energy: 0.8664304655298247
Energy: 0.8373983660047353
Energy: 0.9087081314249994
Energy: 0.9282592302934232
Energy: 0.9348797103846597
Energy: 0.7789626157669644
Energy: 0.9087081314249994
Energy: 0.9282592302939988
Energy: 0.934879710384084
Energy: 0.8544872139565015
Energy: 0.8930620460644699
Energy: 0.6071726129169355
Energy: 0.8379339062677379
Energy: 0.8544872139565015
Energy: 0.8930620460650456
Energy: 0.6071726129152085
Energy: 0.8713850612417656
Energy: 0.7788536182078126
Energy: 0.8993860595892064
Energy: 0.7198442370586822
Energy: 0.87138506124119
Energy: 0.7788536182066613
Energy: 0.8993860595903579
Energy: 0.8337464458080559
Energy: 0.897135088516179
Energy: 0.7416073722342084
Energy: 0.8628534978231913
Energy: 0.8337464458069046
Energy: 0.8971350885167547
Energy: 0.7416073722342084
Energy: 1.0058125980111403
Energy: 0.8603043873479254
Energy: 0.9367312608772297
Energy: 0.521505189523416
Energy: 1.0058125980111403
Energy: 0.8603043873485009
Energy: 0.9384873765046207
Energy: 0.8643065679701547
Energy: 0.9102117545624655
Energy: 0.8553094599180066
Energy: 0.9247818937808985
Energy: 0.8643065679690034
Energy: 0.9102117545624655
Energy: 0.8553094599191579
Energy: 0.9596588404370742
Energy: 0.813323787409083
Energy: 0.9051980770030903
Energy: 0.9109395003623135
Energy: 0.9596588404370742
Energy: 0.8133237874085074
Energy: 0.9051980770025148
Energy: 0.8436988143314174
Energy: 0.9097074040221867
Energy: 0.7873090740733615
Energy: 0.8495747026049923
Energy: 0.8436988143302661
Energy: 0.9097074040216111
Energy: 0.7873090740733615
Energy: 0.8677659293516581
Energy: 0.835234644659016
Energy: 0.7269824350487413
Energy: 0.8663699712683794
Energy: 0.8677659293516581
Energy: 0.8352346446607428
Energy: 0.7269824350498925
Energy: 0.8428638156565319
Energy: 0.868524151424327
Energy: 0.8117627895065286
Energy: 0.8957537776071024
Energy: 0.842863815654805
Energy: 0.8685241514231758
Energy: 0.8117627895048017
Energy: 0.8749433917247476
Energy: 0.8820965635271529
Energy: 0.9083307992031617
Energy: 0.8009315149923022
Energy: 0.8749433917235964
Energy: 0.8820965635265772
Energy: 0.9083307991939515
Energy: 0.8364499927251053
Energy: 0.8966920219306866
Energy: 0.769590241111455
Energy: 0.8552676759704828
Energy: 0.8364499927268322
Energy: 0.8966920219341404
Energy: 0.7695902411108795
Energy: 0.9110948284117023
Energy: 0.6786561857671571
Energy: 0.9556606302535905
Energy: 0.44405681264579866
Energy: 0.9110948284111268
Energy: 0.6786561857677328
Energy: 0.9556606302547418
Energy: 0.8357523799238484
Energy: 0.9255297204958406
Energy: 0.7646569288093809
Energy: 0.9094302516416037
Energy: 0.8357523799221214
Energy: 0.9255297204964162
Energy: 0.7646569288093809
Energy: 1.0058125919012515
Energy: 0.720876913758367
Energy: 0.8634676112196064
Energy: 0.8429035724966852
Energy: 1.0058125919012515
Energy: 0.720876913758367
Energy: 0.8634676112207578

minimum gb energy = 0.44405681264579866 eV
minimum distance =  2.28635946365455 Angstroms
sigma value = 113


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

Energy: 0.8355888905355181
Energy: -0.9068596346391553
Energy: 0.7882089647083451
Energy: 0.997621923634364
Energy: 0.8355888905450974
Energy: -0.9059879547934864
Energy: 0.8196994205115702
Energy: 0.9392910434928602
Energy: -0.7930016851139559
Energy: 0.9618695164593484
Energy: 0.8438743100935747
Energy: 0.9392910434928602
Energy: -0.7928855258924664
Energy: 0.9618695164657736
Energy: 0.8315572346551982
Energy: -0.6865079509315438
Energy: 0.8764999142216956
Energy: 0.8702395668217323
Energy: 0.8315572346455604
Energy: -0.6871246801230017
Energy: 0.8764999142184831
Energy: 0.7871072429633268
Energy: 0.8617042792891128
Energy: 1.0926340746465428
Energy: 0.8480439526640678
Energy: 0.7871072429633268
Energy: 0.8617042792923252
Energy: 1.0926340746433303
Energy: 0.8141849912552565
Energy: 0.8269517045637098
Energy: 0.866377252141189
Energy: 0.8277168317871314
Energy: 0.8141849910594054
Energy: 0.8269517045604974
Energy: 0.8663772521444016
Energy: 0.7874496301663426
Energy: 0.857338443591764
Energy: 0.842572241726215
Energy: 0.7955227035903959
Energy: 0.7874496301694969
Energy: 0.857338443591764
Energy: 0.8425722182076811
Energy: 0.8295266013333598
Energy: 0.7772203310042013
Energy: 0.8535495655344988
Energy: 0.7857097732387942
Energy: 0.8295266013365723
Energy: 0.777220331007414
Energy: 0.8535495655248609
Energy: 0.7823929438700703
Energy: 0.7932101249386372
Energy: 1.0453811559885102
Energy: 0.7815334412061018
Energy: 0.7823929438700703
Energy: 0.793210124948275
Energy: 1.0453811559917228
Energy: 0.8287216973141024
Energy: 0.8430330709521192
Energy: 0.8384298206845455
Energy: 0.78567057157681
Energy: 0.8287216973044647
Energy: 0.8430330709489068
Energy: 0.8384298206845455
Energy: 0.7851659104405727
Energy: 0.7926191314845715
Energy: 0.7859749146762494
Energy: 0.8004749534676427
Energy: 0.7851659104437853
Energy: 0.7926191314813589
Energy: 0.7859749146826746
Energy: 0.7925810534230123
Energy: 0.7963543692975497
Energy: 0.7793186610834181
Energy: 0.7867334116505961
Energy: 0.7925810534230123
Energy: 0.7963543692943371
Energy: 0.7793186610802055
Energy: 0.7860855303350003
Energy: 0.7820244181569604
Energy: 0.9018261905342001
Energy: 0.7845319443469597
Energy: 0.7860855303350003
Energy: 0.7820244181537479
Energy: 0.9018261905342001
Energy: 0.7725004833951563
Energy: 0.7998999731107954
Energy: 0.7801217494672533
Energy: 0.8366189146929752
Energy: 0.7725004833951563
Energy: 0.799899973114008
Energy: 0.7801217494704658
Energy: 0.7576244232284425
Energy: 0.8059080967434111
Energy: 1.0119143700163045
Energy: 0.7804528150836288
Energy: 0.7576244232316551
Energy: 0.8059080967434111
Energy: 1.011914369990604
Energy: 0.7742238837878548
Energy: 0.81241441734046
Energy: 0.7980019527532661
Energy: 0.8069176629465301
Energy: 0.7742238837910674
Energy: 0.81241441734046
Energy: 0.7980019527532661
Energy: 0.7569305237530317
Energy: 0.7898961784191291
Energy: 0.7357225061061673
Energy: 0.787475787211313
Energy: 0.7569305237498192
Energy: 0.7898961784255543
Energy: 0.7357225061029548
Energy: 0.7823533035240908
Energy: 0.8576473081921282
Energy: 0.8296748187953119
Energy: 0.8392278244641012
Energy: 0.7823533035240908
Energy: 0.8576473081857031
Energy: 0.8296748187985243
Energy: 0.7860804335417555
Energy: 0.772988067949144
Energy: 0.7329145754802513
Energy: 0.7623279126123066
Energy: 0.7860804335417555
Energy: 0.772988067949144
Energy: 0.7329145754609759
Energy: 0.8119304508190621
Energy: 0.8014528219639611
Energy: 0.9986992950453837
Energy: 0.8637100648251557
Energy: 0.8119304508126368
Energy: 0.8014528219735987
Energy: 0.9986992950453837
Energy: 0.8278647776844055
Energy: 0.7981950097352775
Energy: 0.7489335238189191
Energy: 0.7788415757107758
Energy: 0.8278647776811929
Energy: 0.7981950097417028
Energy: 0.7489335238189191
Energy: 0.788217886166335
Energy: 0.7898772184920911
Energy: 0.9545563405309457
Energy: 0.8175029488514071
Energy: 0.7882178861759729
Energy: 0.7898772184952454
Energy: 0.9545563405245205
Energy: 0.8276906559857332
Energy: 0.798255013356033
Energy: 0.7468360821292627
Energy: 0.7847568484444458
Energy: 0.8276906559825205
Energy: 0.7982550133592454
Energy: 0.7468360821356878
Energy: 0.7912477884055803
Energy: 0.787865052888495
Energy: 0.9259835773803937
Energy: 0.9359115619325038
Energy: 0.7912477884055803
Energy: 0.7878650528917075
Energy: 0.9259835773772395
Energy: 0.7934913678834801
Energy: 0.8436774006466647
Energy: 0.7175319403921375
Energy: 0.7855153322157014
Energy: 0.7934913678738422
Energy: 0.8436774006466647
Energy: 0.7175319403985626
Energy: 0.7920580387028231
Energy: 0.8343893971696473
Energy: 1.048509680033145
Energy: 1.0162493053485928
Energy: 0.7920580386996107
Energy: 0.8343893971728599
Energy: 1.048509680033145
Energy: 0.839838107942055
Energy: 0.7606950438105977
Energy: 0.8741326240069877
Energy: 0.7310129131304809
Energy: 0.8398381079452678
Energy: 0.7606950438170229
Energy: 0.874132624003775
Energy: 0.8979025699821901
Energy: 0.8363173435792842
Energy: 0.8086166484628906
Energy: 0.879796587885407
Energy: 0.8979025694972647
Energy: 0.8363173435824967
Energy: 0.8086166484596782
Energy: 0.8698160297859273
Energy: 0.8839492067009692
Energy: 0.8440442724396306
Energy: 0.8190371532869609
Energy: 0.8698160297891397
Energy: 0.8839492066977565
Energy: 0.8440442724364179
Energy: -0.41843801744975434
Energy: 0.8520844405023238
Energy: 0.8710132672151054
Energy: 1.0156000801871656
Energy: -0.41843801814016857
Energy: 0.8520844404991111
Energy: 0.8710132672086803
Energy: 0.8703626286694088
Energy: 0.8593231140274616
Energy: 0.8177677202057553
Energy: 0.7253257627333052
Energy: 0.8703626286694088
Energy: 0.8593231140338868
Energy: 0.8177677202089679
Energy: 0.7881483331351813
Energy: 0.8474851413885202
Energy: 0.9222505926488189
Energy: 0.7251983715707302
Energy: 0.7881483331351813
Energy: 0.8474851413885202
Energy: 0.9222505926456063
Energy: 0.8705725809039104
Energy: 0.8453548895034516
Energy: 0.7600797643780751
Energy: 0.7932143928129788
Energy: 0.8705725809102771
Energy: 0.8453548895098769
Energy: 0.760079764365225
Energy: 0.7762467536322445
Energy: 0.7729206632874467
Energy: 0.8669728654563741
Energy: 0.8732704316809891
Energy: 0.776246753629032
Energy: 0.7729206632810215
Energy: 0.8669728654852876
Energy: 0.9094363604368029
Energy: 0.7828136391997982
Energy: 0.8182487119397053
Energy: 0.7892675766097029
Energy: 0.9094363604432282
Energy: 0.7828136391933732
Energy: 0.8182487119461305
Energy: 0.9613921558867811
Energy: 0.766798637833981
Energy: 1.0285297498499655
Energy: 0.8401510725985598
Energy: 0.9613921558867811
Energy: 0.7667986378307683
Energy: 1.0285297498435404
Energy: 0.9100226955559204
Energy: 0.8570432666638375
Energy: 0.8785590770307853
Energy: 0.8421771926415355
Energy: 0.9100226955591331
Energy: 0.8570432666638375
Energy: 0.8785590770275725
Energy: 0.9612770812767056
Energy: 0.8265943253587672
Energy: 0.8334563004718142
Energy: 0.843869284318369
Energy: 0.9612770812734932
Energy: 0.8265943253524005
Energy: 0.8334563004557513
Energy: 0.8090018758287505
Energy: 0.8577786298671909
Energy: 0.769690249370776
Energy: 0.8432307842344599
Energy: 0.8090018758287505
Energy: 0.8577786298704035
Energy: 0.7696902493739884
Energy: 0.9606987968721762
Energy: 0.9195016155536561
Energy: 0.7613451252549873
Energy: 0.9040060486568083
Energy: 0.9606987968753886
Energy: 0.919501615547231
Energy: 0.7613451253994954
Energy: 0.8093107395673238
Energy: 0.8364732232637156
Energy: 0.770384025457367
Energy: 0.855384605026429
Energy: 0.8093107395608985
Energy: 0.8364732232572903
Energy: 0.770384025457367
Energy: 0.8410027288271967
Energy: 0.9175089282464008
Energy: 0.8014601462342883
Energy: 0.9051621053209816
Energy: 0.8410027288271967
Energy: 0.9175089282399755
Energy: 0.8014601462310756
Energy: 0.8090912762657047
Energy: 0.8758118687721754
Energy: 0.9379385521633378
Energy: 0.8101783550807063
Energy: 0.8090912762657047
Energy: 0.8758118687753882
Energy: 0.9379385521633378
Energy: 0.7537740963017838
Energy: 0.9179569497213395
Energy: 0.7155326135406823
Energy: 0.9044580285234762
Energy: 0.7537740963114217
Energy: 0.9179569497277645
Energy: 0.7155326131167961
Energy: 0.8807066821673485
Energy: 0.8743978965721517
Energy: 0.9575557260916173
Energy: 0.840789631255529
Energy: 0.880706682170561
Energy: 0.8743978965753644
Energy: 0.9575557261141053
Energy: 0.7845093731733679
Energy: 0.9176441966759163
Energy: 0.8370530193146378
Energy: 0.8985445133403063
Energy: 0.784509373179793
Energy: 0.9176441966759163
Energy: 0.8370530193114254

minimum gb energy = -0.9068596346391553 eV
minimum distance =  2.2276477846423 Angstroms
sigma value = 365


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

Energy: 0.7803099195115617
Energy: 0.470128005676391
Energy: -0.023591979881951154
Energy: 0.47012800567566665
Energy: 0.7803099195137347
Energy: 0.47012800567566665
Energy: 0.39480437438302307
Energy: 0.7803099195144589
Energy: 0.470128005676391
Energy: 1.4592912878951594
Energy: 0.47012800567566665
Energy: 0.7803099195137347
Energy: 0.4701280056771153
Energy: -0.03475393333313443
Energy: 0.7803099195130104
Energy: 0.470128005676391
Energy: -0.023716649538516543
Energy: 0.47012800567566665
Energy: 0.7803099195151832
Energy: 0.470128005676391
Energy: 1.1329351709336595
Energy: 0.7803099195122861
Energy: 0.4701280056771153
Energy: -0.03488365930126607
Energy: 0.4701280056778397
Energy: 0.7803099195137347
Energy: 0.470128005676391
Energy: 0.39479372511856653
Energy: 0.7803099195151832
Energy: 0.470128005676391
Energy: 1.4592912878958837
Energy: 0.4701280056749424
Energy: 0.7803099195130104
Energy: 0.470128005676391
Energy: -0.023830833760903534
Energy: 0.7803099195137347
Energy: 0.4701280056771153
Energy: -0.03495520328814887
Energy: 0.470128005676391
Energy: 0.7803099195144589
Energy: 0.4701280056778397
Energy: 0.6663674464973246
Energy: 0.7803099195115617
Energy: 0.4701280056771153
Energy: 0.2740268119244744
Energy: 0.4701280056771153
Energy: 0.7803099195137347
Energy: 0.47012800567566665
Energy: 0.39478008181283897
Energy: 0.7803099195144589
Energy: 0.4701280056771153
Energy: 1.4592912878951594
Energy: 0.47012800567421803
Energy: 0.7803099195137347
Energy: 0.4701280056778397
Energy: 0.2740274219674198
Energy: 0.7803099195130104
Energy: 0.47012800567566665
Energy: -0.02353352998514803
Energy: 0.470128005676391
Energy: 0.7803099195151832
Energy: 0.4701280056771153
Energy: 0.6663739953693576
Energy: 0.7803099195122861
Energy: 0.4701280056771153
Energy: 0.39470633332079
Energy: 0.4701280056771153
Energy: 0.7803099195130104
Energy: 0.4701280056771153
Energy: 0.3947450784356369
Energy: 0.7803099195151832
Energy: 0.470128005676391
Energy: 1.4592912878966082
Energy: 0.47012800567421803
Energy: 0.7803099195130104
Energy: 0.4701280056771153
Energy: 0.6663877511855615
Energy: 0.7803099195137347
Energy: 0.4701280056771153
Energy: 1.1329351711762072
Energy: 0.470128005676391
Energy: 0.7803099195144589
Energy: 0.470128005676391
Energy: 0.3947766812490538
Energy: 0.7803099195115617
Energy: 0.4701280056771153
Energy: 0.39468021281622256
Energy: 0.470128005676391
Energy: 0.7803099195130104
Energy: 0.470128005676391
Energy: 0.3947232732613476
Energy: 0.7803099195144589
Energy: 0.4701280056771153
Energy: -0.03535860978202168
Energy: 0.4701280056749424
Energy: 0.7803099195137347
Energy: 0.4701280056778397
Energy: 0.3947022102796035
Energy: 0.7803099195130104
Energy: 0.47012800567566665
Energy: -0.034780773768072225
Energy: 0.47012800567566665
Energy: 0.7803099195151832
Energy: 0.470128005676391
Energy: 0.39476220364180553
Energy: 0.7803099195122861
Energy: 0.4701280056771153
Energy: 0.39468201270590486
Energy: 0.4701280056778397
Energy: 0.7803099195130104
Energy: 0.470128005676391
Energy: 0.3947282123217108
Energy: 0.7803099195144589
Energy: 0.470128005676391
Energy: 1.1329351713514262
Energy: 0.4701280056749424
Energy: 0.7803099195130104
Energy: 0.4701280056771153
Energy: 0.39469014566239474
Energy: 0.7803099195137347
Energy: 0.470128005676391
Energy: 0.6661876755283821
Energy: 0.47012800567566665
Energy: 0.7803099195144589
Energy: 0.4701280056771153
Energy: 0.3947215962215497
Energy: 0.7803099195115617
Energy: 0.4701280056778397
Energy: 0.3946240781453383
Energy: 0.47012800567566665
Energy: 0.7803099195137347
Energy: 0.47012800567566665
Energy: 0.3946811741182986
Energy: 0.7803099195137347
Energy: 0.470128005676391
Energy: 0.27402695091440094
Energy: 0.47012800567566665
Energy: 0.7803099195137347
Energy: 0.470128005676391
Energy: 0.3946704833623433

minimum gb energy = -0.03535860978202168 eV
minimum distance =  2.42063394969863 Angstroms
sigma value = 23