Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_000
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=4.450349978306989
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: 0.022218727287425636
Energy: 0.6788960737648447
Energy: 0.7386176342962077
Energy: 0.6788527037821833
Energy: 0.022218727287425636
Energy: 0.6788960737648447
Energy: 0.7386176342962077
Energy: 0.7379014163332213
Energy: 0.022396687524990747
Energy: 0.364011439930797
Energy: 0.022440706742125914
Energy: 0.7379014163332213
Energy: 0.022396687524990747
Energy: 0.364011439930797
Energy: 0.022218727287425636
Energy: 0.6788960737648447
Energy: 0.7386176342962077
Energy: 0.6788527037821833
Energy: 0.022218727287425636
Energy: 0.6788960737674833
Energy: 0.7386176342962077
Energy: 0.7379014163332213
Energy: 0.022396687524990747
Energy: 0.364011439930797
Energy: 0.022440706742125914
Energy: 0.7379014163332213
Energy: 0.022396687524990747
Energy: 0.364011439930797
Energy: 0.022218727287425636
Energy: 0.6788960737648447
Energy: 0.7386176342962077
Energy: 0.6788527037821833
Energy: 0.022218727287425636
Energy: 0.6788960737674833
Energy: 0.7386176342962077
Energy: 0.7379014163332213
Energy: 0.022396687522352167
Energy: 0.36401143993343554
Energy: 0.022440706744764494
Energy: 0.7379014163332213
Energy: 0.022396687524990747
Energy: 0.364011439930797

minimum gb energy = 0.022218727287425636 eV
minimum distance =  2.47155951937464 Angstroms
sigma value = 5


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

Energy: 1.7416592044251298
Energy: 1.7359448481601778
Energy: 1.8893277535388209
Energy: 1.7355710066365873
Energy: 1.741659204428295
Energy: 1.7359448481569546
Energy: 1.8893277535355977
Energy: 1.6274287315206866
Energy: 1.6311685843851476
Energy: 1.7523647814630297
Energy: 1.662747189871971
Energy: 1.6274287315239098
Energy: 1.6311685843787005
Energy: 1.7523647814727001
Energy: 1.6244577883748288
Energy: 1.6427553770443974
Energy: 1.8166180794198774
Energy: 1.6429217596141432
Energy: 1.6244577883748288
Energy: 1.642755377041174
Energy: 1.8166180794166535
Energy: 1.7423256691932822
Energy: 1.691434451022309
Energy: 1.8086664299104924
Energy: 1.655890734417895
Energy: 1.7423256691900586
Energy: 1.6914344510158617
Energy: 1.8086664299137158
Energy: 1.631219413743478
Energy: 1.605420863511119
Energy: 1.8545503884921588
Energy: 1.6848691104725309
Energy: 1.631219413743478
Energy: 1.605420863514342
Energy: 1.847335558091466
Energy: 1.6991632249694844
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Energy: 1.651803752844368
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Energy: 1.7255252296805774
Energy: 1.6922289847531027
Energy: 1.6270728630137634
Energy: 1.7092195899347364
Energy: 1.919710587242687
Energy: 1.7081918995282512
Energy: 1.6270728630169868
Energy: 1.70921958993796
Energy: 1.919710587242687
Energy: 1.627141408508382
Energy: 1.649030420665118
Energy: 1.847784488433929
Energy: 1.691158863128012
Energy: 1.627141408508382
Energy: 1.649030420665118
Energy: 1.8477844884274819
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Energy: 1.6048514434345602
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Energy: 1.6970878517437804
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Energy: 1.6742098218476127
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Energy: 1.8792158780316184
Energy: 1.6720813837005035
Energy: 1.7950719304874032
Energy: 1.6922961678789332
Energy: 1.8792158780283947
Energy: 1.6174428845320137
Energy: 1.6963758663721136
Energy: 1.8242761937104026
Energy: 1.6436481756317076
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Energy: 1.6335873212232987
Energy: 1.7779819912596713
Energy: 1.6446294011403937
Energy: 1.6435892001970729
Energy: 1.633587321220075
Energy: 1.7779819912564476
Energy: 1.6860115515675307
Energy: 1.796403942003464
Energy: 1.8919453377059479
Energy: 1.7521960206354872
Energy: 1.68601155155786
Energy: 1.7964039420066877
Energy: 1.8919453377027242
Energy: 1.635170550805355
Energy: 1.653938953703696
Energy: 1.7120385841729204
Energy: 1.6630040570381155
Energy: 1.6351705508021315
Energy: 1.6539389537165903
Energy: 1.7120385841664734
Energy: 1.6293129740183914
Energy: 1.6044290952825748
Energy: 1.8014127728223372
Energy: 1.65231039190998
Energy: 1.6293129740248384
Energy: 1.6044290952793516
Energy: 1.8014127728223372
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Energy: 1.6434290824476079
Energy: 1.8469996069364312
Energy: 1.65093758870216
Energy: 1.6626627712967263
Energy: 1.6434290824476079
Energy: 1.8469996069299843
Energy: 1.6264037604593296
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Energy: 1.7135687706881464
Energy: 1.7009634573977048
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Energy: 1.6267489270048547
Energy: 1.7367787004499802
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Energy: 1.6267489270048547
Energy: 1.7367787004499802
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Energy: 1.6289849709533337
Energy: 1.7102168238805389
Energy: 1.9058459390316282
Energy: 1.6251325527714608
Energy: 1.6289849709533337
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Energy: 1.6478255341138026
Energy: 1.8519112155988793
Energy: 1.68325241261059
Energy: 1.6384934719548503
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Energy: 1.8519112156053263
Energy: 1.6859623306510838
Energy: 1.620000401463229
Energy: 1.7613171115111823
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Energy: 1.6200004014567817
Energy: 1.761317111507959
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Energy: 1.8331261946679493
Energy: 1.643890846904814
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Energy: 1.7270783121028195
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Energy: 1.663080317833395
Energy: 1.6293024317311906
Energy: 1.7503427348788676
Energy: 1.7456029474226775
Energy: 1.663080317833395
Energy: 1.6293024317311906
Energy: 1.7503427348756442
Energy: 1.7274887403487382
Energy: 1.6402391383136377
Energy: 1.7490035384848903
Energy: 1.6441951918888311
Energy: 1.7274887403487382
Energy: 1.6402391383168613
Energy: 1.749003538481667
Energy: 1.7417328526761109
Energy: 1.6911463196258956
Energy: 1.8398192579996748
Energy: 1.6889911400404976
Energy: 1.7417328526761109
Energy: 1.6911463196258956
Energy: 1.8398192579964514
Energy: 1.6745186543547903
Energy: 1.6569673254172252
Energy: 1.8530269558649872
Energy: 1.6403506881811452
Energy: 1.6745186543515669
Energy: 1.6569673254172252
Energy: 1.8530269558617636
Energy: 1.6454759496559217
Energy: 1.6828353466498476
Energy: 1.8752991830233772
Energy: 1.6285587888999469
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Energy: 1.682835346653071
Energy: 1.8752991830201537
Energy: 1.6237641429743341
Energy: 1.7328839308509365
Energy: 1.8684747121125271
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Energy: 1.6237641429678873
Energy: 1.7328839308606072
Energy: 1.86847471210608
Energy: 1.6725046163109802
Energy: 1.6965015300867647
Energy: 1.6787585378133671
Energy: 1.6251886667237987
Energy: 1.6725046163109802
Energy: 1.6965015301028825
Energy: 1.67875853780692
Energy: 1.6593907255806681
Energy: 1.6853884705367974
Energy: 1.920565573108147
Energy: 1.636546338350153
Energy: 1.6593907255774447
Energy: 1.6853884705335742
Energy: 1.920565573108147
Energy: 1.6633847833158657
Energy: 1.6267061643289071
Energy: 1.9044522252638245
Energy: 1.690814230724488
Energy: 1.6633847833094186
Energy: 1.6267061643321308
Energy: 1.9044522252606007
Energy: 1.625157228174928
Energy: 1.6331083749540822
Energy: 1.6841858159850847
Energy: 1.7131162469527932
Energy: 1.625157228181375
Energy: 1.6331083749573059
Energy: 1.684185815981861
Energy: 1.6266507658273799
Energy: 1.7263595525684083
Energy: 1.8572178283875167
Energy: 1.6478442386743426
Energy: 1.6266507658177096
Energy: 1.7263595525684083
Energy: 1.8572178283875167
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Energy: 1.6510296980064025
Energy: 1.8200961759688843
Energy: 1.6433753471461623
Energy: 1.6198923167097745
Energy: 1.6510296980128494
Energy: 1.820096175962437
Energy: 1.6224786938113456
Energy: 1.6553122230077892
Energy: 1.7807861778387326
Energy: 1.642885685481786
Energy: 1.6224786938145694
Energy: 1.6553122230045658
Energy: 1.7807861778451797
Energy: 1.6608850901377885
Energy: 1.6655760752308175
Energy: 1.8359888817949077
Energy: 1.669770324684363
Energy: 1.6608850901313414
Energy: 1.665576075227594
Energy: 1.8359888817916843
Energy: 1.6837108041869475
Energy: 1.8115803430588584
Energy: 1.8136024852193828
Energy: 1.7467204138175545
Energy: 1.6837108041933944
Energy: 1.8115803430524116
Energy: 1.8136024852226067
Energy: 1.690101392303405
Energy: 1.645799708712424
Energy: 1.7783576361048636
Energy: 1.6836716594310095
Energy: 1.690101392303405
Energy: 1.6457997087156477
Energy: 1.77835763610164
Energy: 1.681745989660743
Energy: 1.6421357460460257
Energy: 1.8238029392484336
Energy: 1.6619618233276212
Energy: 1.681745989654296
Energy: 1.6421357460460257
Energy: 1.8238029392516573
Energy: 1.794584242570372
Energy: 1.670143542949906
Energy: 1.8288218944952779
Energy: 1.6948910134573054
Energy: 1.7945842425671483
Energy: 1.67014354295313
Energy: 1.8288218944888308
Energy: 1.6809074809159992
Energy: 1.6885702737802533
Energy: 1.8089003228982516
Energy: 1.6988193822821065
Energy: 1.6809074809127758
Energy: 1.688570273783477
Energy: 1.808900322895028
Energy: 1.6198877924983257
Energy: 1.6446069944533015
Energy: 1.8800592410081596
Energy: 1.6573236392791393
Energy: 1.619887792495102
Energy: 1.644606994450078
Energy: 1.8800592410113832
Energy: 1.6267024329566826
Energy: 1.7019506326315854
Energy: 1.8855381697664053
Energy: 1.7754901572268416
Energy: 1.6267024329631297
Energy: 1.701950632634809
Energy: 1.8855381697664053
Energy: 1.6047604318014184
Energy: 1.7084706740592959
Energy: 1.6952005991935477
Energy: 1.627504845022548
Energy: 1.6047604318046418
Energy: 1.7084706740625195
Energy: 1.6952005991967711

minimum gb energy = 1.6044290952793516 eV
minimum distance =  2.20978821894373 Angstroms
sigma value = 401


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

Energy: 1.6877479455631892
Energy: 1.6656809561180472
Energy: 1.874823178002554
Energy: 1.6651491921891022
Energy: 1.687747945555871
Energy: 1.6656809561217063
Energy: 1.9159586664534045
Energy: 1.6263852149371791
Energy: 1.756137148072597
Energy: 1.7694137216577963
Energy: 1.6583457665801968
Energy: 1.626385214940838
Energy: 1.756137148072597
Energy: 1.7694137216614554
Energy: 1.6141686764862415
Energy: 1.6343138613599468
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Energy: 1.6343599611032038
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Energy: 1.6343138613562875
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Energy: 1.6752605780656977
Energy: 1.6665399386026742
Energy: 1.8117349220534984
Energy: 1.6430523556516285
Energy: 1.6752605780656977
Energy: 1.6665399386026742
Energy: 1.8117349220498393
Energy: 1.6888920222221022
Energy: 1.6531210455452798
Energy: 1.7296247719462514
Energy: 1.645607852074926
Energy: 1.688892022214784
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Energy: 1.7296247719572284
Energy: 1.6186613010931212
Energy: 1.6400611344476177
Energy: 1.753064550414503
Energy: 1.6629553795188488
Energy: 1.6186613010931212
Energy: 1.6400611344402996
Energy: 1.753064550414503
Energy: 1.6125078992928241
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Energy: 1.849301003042213
Energy: 1.6556531755279322
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Energy: 1.9145668200319368
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Energy: 1.6461730459173858
Energy: 1.9314173661114657
Energy: 1.6917604470809817
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Energy: 1.7054001581826839
Energy: 1.6833162531012582
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Energy: 1.6741970733709157
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Energy: 1.6699050983594141
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Energy: 1.6380000855537196
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Energy: 1.647812139257947
Energy: 1.8321084563009975
Energy: 1.6424815949413551
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Energy: 1.7943935285053934
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Energy: 1.6752605780656977
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Energy: 1.612007637855605
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Energy: 1.6469588594726048
Energy: 1.7410413934833735
Energy: 1.6351974078539304
Energy: 1.6238006085947854
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Energy: 1.7410413934833735
Energy: 1.6833162531012582
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Energy: 1.748083445647876
Energy: 1.634605351200323
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Energy: 1.6844893782196904
Energy: 1.7946191559265794
Energy: 1.6741970733709157
Energy: 1.6726146381920914
Energy: 1.7704277593105633
Energy: 1.6336064554554688
Energy: 1.6741970733745748
Energy: 1.6726146381884321
Energy: 1.7949466939241296
Energy: 1.617469787119785
Energy: 1.6380000855500605
Energy: 1.7720198755233452
Energy: 1.6699050983557548
Energy: 1.6174697871234438
Energy: 1.6380000855537196
Energy: 1.7833783381211537
Energy: 1.620494554123506
Energy: 1.647812139257947
Energy: 1.8335565039202493
Energy: 1.6424815949413551
Energy: 1.620494554123506
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Energy: 1.8026206876250432
Energy: 1.6877479455631892
Energy: 1.6656809561180472
Energy: 1.88409739765112
Energy: 1.665149192192761
Energy: 1.6877479455595301
Energy: 1.6656809561217063
Energy: 1.8840973976547786
Energy: 1.6263852149371791
Energy: 1.756137148072597
Energy: 1.7694137216577963
Energy: 1.6583457665801968
Energy: 1.626385214940838
Energy: 1.756137148072597
Energy: 1.7694137216577963
Energy: 1.6141686764862415
Energy: 1.6343138613562875
Energy: 1.8087045486367617
Energy: 1.6343599611032038
Energy: 1.6141686764862415
Energy: 1.6343138613562875
Energy: 1.8087045486367617
Energy: 1.6752605780656977
Energy: 1.666539938606333
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Energy: 1.6430523556479695
Energy: 1.6752605780656977
Energy: 1.6665399386026742
Energy: 1.8117349220534984
Energy: 1.6888920222221022
Energy: 1.6531210455452798
Energy: 1.8161697151331386
Energy: 1.645607852078585
Energy: 1.688892022214784
Energy: 1.6531210455489387
Energy: 1.8161697151294796
Energy: 1.6186613010931212
Energy: 1.6400611344476177
Energy: 1.753064550414503
Energy: 1.6629553795188488
Energy: 1.618661301089462
Energy: 1.6400611344402996
Energy: 1.753064550414503
Energy: 1.6125078992964834
Energy: 1.6877741217733444
Energy: 1.9145668200319368
Energy: 1.6556531755279322
Energy: 1.6125078992891653
Energy: 1.6877741217733444
Energy: 1.9863718298650956
Energy: 1.612007637855605
Energy: 1.6461730459137267
Energy: 1.9524916271744943
Energy: 1.6917604470809817
Energy: 1.612007637855605
Energy: 1.6461730459210449
Energy: 1.9524916271744943
Energy: 1.6238006085947854
Energy: 1.6469588594726048
Energy: 1.7195255196123926
Energy: 1.6351974078539304
Energy: 1.6238006085947854
Energy: 1.6469588594726048
Energy: 1.7195255196123926
Energy: 1.6833162531012582
Energy: 1.6844893782160313
Energy: 1.7281666161860607
Energy: 1.6346053512039822
Energy: 1.6833162531012582
Energy: 1.6844893782160313
Energy: 1.748083445647876
Energy: 1.6741970733709157
Energy: 1.6760226969332683
Energy: 1.7704277593105633
Energy: 1.6336064554590612
Energy: 1.6741970733745748
Energy: 1.6760226969332683
Energy: 1.7704277593069042
Energy: 1.613399349501803
Energy: 1.6380000855500605
Energy: 1.7720198755233452
Energy: 1.6699050983594141
Energy: 1.613399349501803
Energy: 1.6380000855537196
Energy: 1.7836834037789113
Energy: 1.6250547223831842
Energy: 1.647812139257947
Energy: 1.8200913262630616
Energy: 1.6424815949413551
Energy: 1.6250547223868432
Energy: 1.647812139257947
Energy: 1.8518224538670267
Energy: 1.6343647692229655
Energy: 1.6656809561217063
Energy: 1.88409739765112
Energy: 1.665149192192761
Energy: 1.634364769226625
Energy: 1.6656809561217063
Energy: 1.88409739765112
Energy: 1.6263852149371791
Energy: 1.756137148072597
Energy: 1.7694137216577963
Energy: 1.6545657706468082
Energy: 1.626385214940838
Energy: 1.756137148076256
Energy: 1.7694137216614554

minimum gb energy = 1.612007637855605 eV
minimum distance =  2.23481444032985 Angstroms
sigma value = 311


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

Energy: 1.7784412378215786
Energy: 1.6584010775815077
Energy: 1.8087283048697058
Energy: 1.6615098518317633
Energy: 1.7784412378236525
Energy: 1.6584010775827756
Energy: 1.82501502893211
Energy: 1.7239063769538687
Energy: 1.6461997333826803
Energy: 1.7470101136344034
Energy: 1.659782604695191
Energy: 1.7239063769530236
Energy: 1.6461997333835254
Energy: 1.7470101136327134
Energy: 1.677358107328079
Energy: 1.7135285990021247
Energy: 1.8805842627387472
Energy: 1.6913154584017676
Energy: 1.6773581073276564
Energy: 1.713528599002547
Energy: 1.8500870348205392
Energy: 1.6814369692605136
Energy: 1.6584283016843533
Energy: 1.8396957001881669
Energy: 1.7107034488277042
Energy: 1.6814369692600912
Energy: 1.6584283016843533
Energy: 1.8396957001902796
Energy: 1.6893983733671503
Energy: 1.6800721060894073
Energy: 1.833764304111896
Energy: 1.6986330708782371
Energy: 1.689398373368418
Energy: 1.6800721060902524
Energy: 1.8337643041131637
Energy: 1.7144280980616355
Energy: 1.6370745368770172
Energy: 1.6969020853742123
Energy: 1.636819341408698
Energy: 1.7144280980620579
Energy: 1.6370745368782846
Energy: 1.696902085374635
Energy: 1.7016096524950606
Energy: 1.7761775520168284
Energy: 1.8364648254187017
Energy: 1.700289768530906
Energy: 1.701609652496328
Energy: 1.776177552016406
Energy: 1.8364648254182796
Energy: 1.7039623433687108
Energy: 1.6730510755062147
Energy: 1.7476295444448045
Energy: 1.7074381289431155
Energy: 1.7039623433699782
Energy: 1.6730510755062147
Energy: 1.747629544444382
Energy: 1.689043930614688
Energy: 1.6445991000437339
Energy: 1.813689133095424
Energy: 1.6499775500941556
Energy: 1.689043930614688
Energy: 1.6445991000450013
Energy: 1.8432024291888982
Energy: 1.6934804390155833
Energy: 1.7160651379532463
Energy: 1.865101443412996
Energy: 1.7299365822895314
Energy: 1.693480439014316
Energy: 1.7160651379540912
Energy: 1.8651014434134185
Energy: 1.7660499513911037
Energy: 1.7230171874428406
Energy: 1.8352794632074891
Energy: 1.65190683618304
Energy: 1.7660499513927936
Energy: 1.723017187442418
Energy: 1.8352794632066438
Energy: 1.6959100276329544
Energy: 1.725207460644158
Energy: 1.7832998682381755
Energy: 1.7020286364595478
Energy: 1.6959100276312644
Energy: 1.7252074606454255
Energy: 1.7832998682381755
Energy: 1.6737637215564014
Energy: 1.639151576694776
Energy: 1.8054834699107467
Energy: 1.701884717971421
Energy: 1.6737637215559786
Energy: 1.6391515766926632
Energy: 1.8054834699103244
Energy: 1.67863464022046
Energy: 1.7207730226512286
Energy: 1.7475006965625055
Energy: 1.7127981363370175
Energy: 1.67863464021877
Energy: 1.7207730226520737
Energy: 1.7475006965633508
Energy: 1.7347086450454619
Energy: 1.6609188802445298
Energy: 1.768275994974794
Energy: 1.666152885441571
Energy: 1.7347086450446165
Energy: 1.660918880243685
Energy: 1.7682759949752165
Energy: 1.7388832944365094
Energy: 1.716977462738998
Energy: 1.7715154928604793
Energy: 1.7177744815201912
Energy: 1.7388832944381993
Energy: 1.7169774627385752
Energy: 1.7715154928604793
Energy: 1.7543109114513704
Energy: 1.6336456996581532
Energy: 1.7848091216683464
Energy: 1.689456493304158
Energy: 1.7543109114509479
Energy: 1.6336456996573079
Energy: 1.7848091216683464
Energy: 1.6686461617708135
Energy: 1.760410650186343
Energy: 1.7038459325771187
Energy: 1.716012506686028
Energy: 1.6686461617695463
Energy: 1.7604106501867653
Energy: 1.7038459325771187
Energy: 1.671371826744326
Energy: 1.6705329513029095
Energy: 1.8586059344455876
Energy: 1.7022964574807478
Energy: 1.671371826743481
Energy: 1.6705329513045994
Energy: 1.858605934447662
Energy: 1.7028788782303712
Energy: 1.6732482334859275
Energy: 1.7658302919645599
Energy: 1.705499282144969
Energy: 1.7028788782316389
Energy: 1.67324823348635
Energy: 1.7658302919645599
Energy: 1.6984120134370002
Energy: 1.7005760104486416
Energy: 1.8449116424053473
Energy: 1.735395315101176
Energy: 1.6984120134382674
Energy: 1.7005760104503318
Energy: 1.8449116424049246
Energy: 1.7153756473239694
Energy: 1.7247238282790245
Energy: 1.8736193863950774
Energy: 1.6544946847269293
Energy: 1.7153756473239694
Energy: 1.7247238282790245
Energy: 1.8736193863955002
Energy: 1.7316743558279712
Energy: 1.6903373663530115
Energy: 1.7703205953931154
Energy: 1.679913705363323
Energy: 1.7316743558279712
Energy: 1.6903373663534338
Energy: 1.7703205953931154
Energy: 1.6886812410337069
Energy: 1.6664731458137911
Energy: 1.8019159495414827
Energy: 1.6607210214012087
Energy: 1.6886812410341296
Energy: 1.6664731458137911
Energy: 1.8019159495406378
Energy: 1.7055153286471472
Energy: 1.696225207734811
Energy: 1.792891042805281
Energy: 1.6716483183267616
Energy: 1.70551532864588
Energy: 1.6962252077360784
Energy: 1.792891042804859
Energy: 1.784618637923174
Energy: 1.7279795213370193
Energy: 1.6894515290605678
Energy: 1.7612892318039735
Energy: 1.784618637923174
Energy: 1.7279795213378644
Energy: 1.6894515290601457
Energy: 1.7799995821610062
Energy: 1.6597110648947293
Energy: 1.8284197734063152
Energy: 1.6566439932873496
Energy: 1.779999582160161
Energy: 1.6597110648955744
Energy: 1.8284197734063152
Energy: 1.7433774568077711
Energy: 1.6466645482484241
Energy: 1.741494015373937
Energy: 1.7081510044069275
Energy: 1.743377456808616
Energy: 1.6466645482471567
Energy: 1.7414940153743597
Energy: 1.6767321797821615
Energy: 1.7137268978962508
Energy: 1.8813227692208556
Energy: 1.703123781232194
Energy: 1.6767321797813166
Energy: 1.7137268978970956
Energy: 1.8813227692200107
Energy: 1.6812366719535279
Energy: 1.6599947714763499
Energy: 1.9044260492232206
Energy: 1.7115929914282624
Energy: 1.6812366719539502
Energy: 1.659994771475505
Energy: 1.9044260492244884
Energy: 1.6911117261919966
Energy: 1.6802198154038963
Energy: 1.8479606361111764
Energy: 1.698393297463515
Energy: 1.691111726190729
Energy: 1.6802198154038963
Energy: 1.8479606361111764
Energy: 1.7110467253717667
Energy: 1.659382161391388
Energy: 1.7740033897863077
Energy: 1.6367150652123457
Energy: 1.7110467253717667
Energy: 1.6593821613909654
Energy: 1.7740033897871526
Energy: 1.7015432735258937
Energy: 1.778760590821592
Energy: 1.8351256438269998
Energy: 1.6955893836475058
Energy: 1.701543273526316
Energy: 1.778760590819902
Energy: 1.8351256438286898
Energy: 1.7040303267643377
Energy: 1.6738628539177907
Energy: 1.7475429920055405
Energy: 1.6994752559663828
Energy: 1.70403032676307
Energy: 1.6738628539186358
Energy: 1.747542992005963
Energy: 1.6876962410337455
Energy: 1.6373593401493325
Energy: 1.8031801698901637
Energy: 1.664608055117925
Energy: 1.687696241033323
Energy: 1.6373593401484876
Energy: 1.8031801698897412
Energy: 1.6903969383281015
Energy: 1.7158902497137358
Energy: 1.8018030609631743
Energy: 1.7346759852583382
Energy: 1.6903969383281015
Energy: 1.7158902497141582
Energy: 1.8018030609635969

minimum gb energy = 1.6336456996573079 eV
minimum distance =  2.23960955083859 Angstroms
sigma value = 39


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

Energy: 1.6514562477468981
Energy: 1.6793883538424472
Energy: 1.8247570294890467
Energy: 1.6758888103304002
Energy: 1.651456247745901
Energy: 1.6793883538449403
Energy: 1.7802025690866774
Energy: 1.6307581665236393
Energy: 1.6554963533269351
Energy: 1.7350308033137583
Energy: 1.655337120668319
Energy: 1.6307581665206476
Energy: 1.6554963533224472
Energy: 1.7350308033137583
Energy: 1.6512868026149845
Energy: 1.5770451304711346
Energy: 1.6554102413869414
Energy: 1.6049918696884078
Energy: 1.6512868026174776
Energy: 1.577045130476121
Energy: 1.6802914795142851
Energy: 1.632072220469285
Energy: 1.6554498594811557
Energy: 1.735399806904885
Energy: 1.7280980421398617
Energy: 1.6320722204707807
Energy: 1.6554498594786624
Energy: 1.7353998069053838
Energy: 1.7005444681698256
Energy: 1.6011340618267595
Energy: 1.6030495130139115
Energy: 1.6030769115449919
Energy: 1.7005444681703243
Energy: 1.6011340618262608
Energy: 1.6030495130124158
Energy: 1.6474589048621473
Energy: 1.6546909267083252
Energy: 1.6621456792167322
Energy: 1.723218475352479
Energy: 1.6474589048641417
Energy: 1.654690926708824
Energy: 1.662145679214239
Energy: 1.8424221891938417
Energy: 1.6025176309030176
Energy: 1.6258797270476326
Energy: 1.6049318033410551
Energy: 1.8424221891913486
Energy: 1.6025176308985298
Energy: 1.6258797270456382
Energy: 1.6323997239041617
Energy: 1.648561794391306
Energy: 1.727707813581061
Energy: 1.6485237703031144
Energy: 1.6323997239026655
Energy: 1.6485617943918045
Energy: 1.7277078135750772
Energy: 1.8424497361909988
Energy: 1.6019411124167853
Energy: 1.7564838429977367
Energy: 1.6025066329685558
Energy: 1.8424497361929932
Energy: 1.601941112417284
Energy: 1.7284565599380213
Energy: 1.6473383634098664
Energy: 1.7234996013328125
Energy: 1.6621731293673325
Energy: 1.6546772436924464
Energy: 1.6473383634108634
Energy: 1.7234996013288237
Energy: 1.6621731293718205
Energy: 1.700559688195326
Energy: 1.603252568405367
Energy: 1.878930986552735
Energy: 1.601217089660163
Energy: 1.7005596881993152
Energy: 1.6032525684043695
Energy: 1.69227533802318
Energy: 1.6321639632589466
Energy: 1.728088519377645
Energy: 1.7356355328624091
Energy: 1.6553893763969214
Energy: 1.6321639632624372
Energy: 1.728088519373656
Energy: 1.7356355328619104
Energy: 1.651413331650453
Energy: 1.6049827376319379
Energy: 1.6523114805383894
Energy: 1.576986766739924
Energy: 1.6514133316494557
Energy: 1.6049827376269512
Energy: 1.652311480537891
Energy: 1.6307726569612033
Energy: 1.655237962800871
Energy: 1.7351471862877774
Energy: 1.6554633404832257
Energy: 1.630772656965691
Energy: 1.6552379628058578
Energy: 1.7351471862922652
Energy: 1.651456247748394
Energy: 1.67938835384145
Energy: 1.7303286792584007
Energy: 1.6758888103294027
Energy: 1.6514562477468981
Energy: 1.6793883538434444
Energy: 1.73032867926239
Energy: 1.6307581665231408
Energy: 1.6554963533284308
Energy: 1.7350308033132595
Energy: 1.6553371206688174
Energy: 1.6307581665196502
Energy: 1.6554963533234446
Energy: 1.7350308033132595
Energy: 1.651286802615982
Energy: 1.5770451304726305
Energy: 1.6618226065684008
Energy: 1.6049918696889065
Energy: 1.6512868026174776
Energy: 1.5770451304766195
Energy: 1.661822606567902
Energy: 1.6320722204682876
Energy: 1.6554498594816545
Energy: 1.7353998069053838
Energy: 1.72809804214036
Energy: 1.6320722204707807
Energy: 1.655449859478164
Energy: 1.7353998069053838
Energy: 1.7005444681688284
Energy: 1.6011340618277565
Energy: 1.6043171379996384
Energy: 1.6030769115444932
Energy: 1.7005444681703243
Energy: 1.6011340618272578
Energy: 1.6030495130124158
Energy: 1.6474589048616488
Energy: 1.6546909267078265
Energy: 1.6621456792172309
Energy: 1.7232184753519806
Energy: 1.6474589048631447
Energy: 1.6546909267093226
Energy: 1.6621456792147378
Energy: 1.8424221891938417
Energy: 1.6025176309015217
Energy: 1.6114975524781727
Energy: 1.6049318033415538
Energy: 1.8424221891903512
Energy: 1.6025176308975324
Energy: 1.6225970772494438
Energy: 1.6323997239051586
Energy: 1.6485617943918045
Energy: 1.727707813581061
Energy: 1.6485237703046103
Energy: 1.6323997239016683
Energy: 1.6485617943918045
Energy: 1.7277078135745787
Energy: 1.8424497361909988
Energy: 1.601941112417284
Energy: 1.6828153127545415
Energy: 1.602506632968057
Energy: 1.8424497361929932
Energy: 1.6019411124187797
Energy: 1.7361956830303098
Energy: 1.6473383634098664
Energy: 1.7234996013313169
Energy: 1.6621731293673325
Energy: 1.654677243691449
Energy: 1.6473383634103647
Energy: 1.7234996013273276
Energy: 1.6621731293733166
Energy: 1.7005596881958247
Energy: 1.6032525684043695
Energy: 1.9260675266224532
Energy: 1.6012170896616589
Energy: 1.7005596882003124
Energy: 1.6032525684033723
Energy: 1.9260675266239489
Energy: 1.632163963258448
Energy: 1.728088519377645
Energy: 1.7356355328624091
Energy: 1.6553893763979186
Energy: 1.6321639632624372
Energy: 1.7280885193756506
Energy: 1.735635532861412
Energy: 1.6514133316509516
Energy: 1.6049827376334336
Energy: 1.6523114805383894
Energy: 1.5769867667404227
Energy: 1.651413331650453
Energy: 1.6049827376279484
Energy: 1.652311480537891
Energy: 1.6307726569612033
Energy: 1.6552379628018683
Energy: 1.7351471862882761
Energy: 1.6554633404837245
Energy: 1.630772656965691
Energy: 1.6552379628063565
Energy: 1.7351471862922652
Energy: 1.6514562477473969
Energy: 1.6793883538424472
Energy: 1.7303286792569046
Energy: 1.6758888103294027
Energy: 1.651456247745901
Energy: 1.6793883538444419
Energy: 1.7303286792544115
Energy: 1.6307581665231408
Energy: 1.6554963533274338
Energy: 1.7350308033137583
Energy: 1.655337120668319
Energy: 1.6307581665206476
Energy: 1.6554963533224472
Energy: 1.7350308033137583

minimum gb energy = 1.576986766739924 eV
minimum distance =  2.28154034044009 Angstroms
sigma value = 21


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

Energy: 1.6842492570637242
Energy: 1.804080199731187
Energy: 1.733901922522356
Energy: 1.8052908755679462
Energy: 1.684249257064329
Energy: 1.8040801997299762
Energy: 1.7746518500364588
Energy: 1.685978016342052
Energy: 1.6554426479154996
Energy: 1.7541008856331488
Energy: 1.655037940332626
Energy: 1.685978016342052
Energy: 1.6554426479148945
Energy: 1.7541008856325433
Energy: 1.6848453292421173
Energy: 1.7301885567540003
Energy: 1.7594816869630843
Energy: 1.6685832594337973
Energy: 1.6848453292421173
Energy: 1.7301885567533952
Energy: 1.7594816869636893
Energy: 1.6477080422670405
Energy: 1.664736196760146
Energy: 1.7890101935612144
Energy: 1.6342438219001698
Energy: 1.6477080422676458
Energy: 1.6647361967589354
Energy: 1.7890101935618195
Energy: 1.6184834749247716
Energy: 1.578854331443918
Energy: 1.6296107092567542
Energy: 1.6585844049002134
Energy: 1.6184834749247716
Energy: 1.578854331445734
Energy: 1.6296107092519116
Energy: 1.6479622710351154
Energy: 1.5980650793534072
Energy: 1.700220849716428
Energy: 1.660854575596616
Energy: 1.6479622710363262
Energy: 1.5980650793721725
Energy: 1.7002208497170328
Energy: 1.736796855770639
Energy: 1.5795302188299174
Energy: 1.6352108656019577
Energy: 1.657554880923065
Energy: 1.736796855770639
Energy: 1.5795302188317335
Energy: 1.6352108656025628
Energy: 1.6743023410774502
Energy: 1.7134217010253685
Energy: 1.8015644157230783
Energy: 1.660849758084552
Energy: 1.6743023410774502
Energy: 1.7134217010277897
Energy: 1.8015644157206572
Energy: 1.7215617814524458
Energy: 1.6627520556004836
Energy: 1.7075271731615767
Energy: 1.7846790063251092
Energy: 1.7215617814518405
Energy: 1.6627520556004836
Energy: 1.7075271731627875
Energy: 1.6561102927848124
Energy: 1.6624014324469911
Energy: 1.624561460119488
Energy: 1.7406636993901528
Energy: 1.6561102927854177
Energy: 1.6624014324469911
Energy: 1.6245614601206986
Energy: 1.7737922263470107
Energy: 1.7895220386607111
Energy: 1.6774150450105692
Energy: 1.6671510671736958
Energy: 1.7737922263500374
Energy: 1.7895220386613166
Energy: 1.6774150450093586
Energy: 1.565128792697366
Energy: 1.691397890066023
Energy: 1.6368446887154962
Energy: 1.6344232014033517
Energy: 1.565128792697366
Energy: 1.691397890067839
Energy: 1.6368446887136803
Energy: 1.774088279589694
Energy: 1.647375312190876
Energy: 1.6642581319595207
Energy: 1.6692214280620246
Energy: 1.774088279589694
Energy: 1.6473753121926922
Energy: 1.6378064403160666
Energy: 1.5650664051337344
Energy: 1.6912194645833292
Energy: 1.679899544359576
Energy: 1.6996830697657923
Energy: 1.565066405133129
Energy: 1.6912194645851177
Energy: 1.6798995443613916
Energy: 1.752457408538077
Energy: 1.5923504456694872
Energy: 1.6257283447170696
Energy: 1.633389366225234
Energy: 1.7524574085398932
Energy: 1.5923504456676714
Energy: 1.6257283447170696
Energy: 1.5569101444131328
Energy: 1.7320136614466446
Energy: 1.6142818479163883
Energy: 1.626024475863237
Energy: 1.5569101444119222
Energy: 1.7320136614478552
Energy: 1.6142818479169936
Energy: 1.753323834288074
Energy: 1.5925594726949692
Energy: 1.6166377589975094
Energy: 1.6331500125931393
Energy: 1.753323834286863
Energy: 1.5925594726937586
Energy: 1.6166377589993257
Energy: 1.5569848500879893
Energy: 1.6663620999343896
Energy: 1.6192807896948045
Energy: 1.7213435481014454
Energy: 1.5569848500885946
Energy: 1.6663620999337843
Energy: 1.6192807896960153
Energy: 1.6838102078280632
Energy: 1.6379170791889477
Energy: 1.6945911456516953
Energy: 1.6334211025632441
Energy: 1.6838102078268526
Energy: 1.6379170791883424
Energy: 1.6945911456516953
Energy: 1.5566559580175816
Energy: 1.7155123475796514
Energy: 1.5999196473434223
Energy: 1.7154792266784564
Energy: 1.5566559580169763
Energy: 1.7155123475766247
Energy: 1.599919647344633
Energy: 1.6840184739850803
Energy: 1.63344460965805
Energy: 1.6944772904948102
Energy: 1.5914519906411315
Energy: 1.6840184739856854
Energy: 1.6334446096568391
Energy: 1.6944772904935996
Energy: 1.5569353590123192
Energy: 1.7213899778497543
Energy: 1.6193046505460162
Energy: 1.6661606286595185
Energy: 1.5569353590117139
Energy: 1.7213899778485438
Energy: 1.6193046505448334
Energy: 1.7531839063919041
Energy: 1.6332822650380028
Energy: 1.6165288174402392
Energy: 1.5925037715009596
Energy: 1.7531839063919041
Energy: 1.6332822650404242
Energy: 1.6165288174408448
Energy: 1.5570412679433743
Energy: 1.6257589862361777
Energy: 1.6143262728011603
Energy: 1.731878645594443
Energy: 1.5570412679427688
Energy: 1.6257589862361777
Energy: 1.6143262728017655
Energy: 1.7526415404276656
Energy: 1.6333472925121073
Energy: 1.6515664183892544
Energy: 1.5921892470709968
Energy: 1.7526415404270606
Energy: 1.633347292514529
Energy: 1.6515664183898595

minimum gb energy = 1.5566559580169763 eV
minimum distance =  2.25632074789719 Angstroms
sigma value = 113


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

Energy: 1.6824723164674944
Energy: 1.788099897767842
Energy: 1.7257360362772896
Energy: 1.788488870892854
Energy: 1.6824723164776294
Energy: 1.7880998977644638
Energy: 1.7257360362806677
Energy: 1.7911831777030525
Energy: 1.7139162030759965
Energy: 1.7666001352867735
Energy: 1.6963872156466382
Energy: 1.7911831777064309
Energy: 1.7139162030793749
Energy: 1.7666001352935303
Energy: 1.675493263056317
Energy: 1.7152292633386736
Energy: 1.7858479689446312
Energy: 1.720336997775386
Energy: 1.6754932630529387
Energy: 1.7152292633251605
Energy: 1.7858479689446312
Energy: 1.6239708796681103
Energy: 1.7613177220156027
Energy: 1.8680754811424094
Energy: 1.7067741670571048
Energy: 1.6239708796647319
Energy: 1.7613177220088458
Energy: 1.868075481149166
Energy: 1.7445717359974284
Energy: 1.633849030284063
Energy: 1.6718981123957084
Energy: 1.6366136754277518
Energy: 1.7445717360008068
Energy: 1.6338490302806847
Energy: 1.6718981123990868
Energy: 1.626980254435589
Energy: 1.718251000250062
Energy: 1.7822055897571214
Energy: 1.6344704321753372
Energy: 1.626980254435589
Energy: 1.718251000250062
Energy: 1.7822055897571214
Energy: 1.6198017351418061
Energy: 1.6333569942414792
Energy: 1.6638645420765836
Energy: 1.6398538302876522
Energy: 1.6198017351350495
Energy: 1.6333569942347224
Energy: 1.6638645420664482
Energy: 1.6266143419405796
Energy: 1.7330132309898436
Energy: 1.7829651984832455
Energy: 1.6229249207141663
Energy: 1.6266143419405796
Energy: 1.7330132309864652
Energy: 1.782965198479867
Energy: 1.6204730042427156
Energy: 1.6700466567614538
Energy: 1.7366539240631373
Energy: 1.6734425927651624
Energy: 1.6204730042393374
Energy: 1.6700466567715888
Energy: 1.7366539240665158
Energy: 1.6461408486274427
Energy: 1.7311352867997951
Energy: 1.7311273265754596
Energy: 1.6599868352462595
Energy: 1.6461408486240645
Energy: 1.7311352867997951
Energy: 1.7311273265788378
Energy: 1.6216614526560569
Energy: 1.7033588255869294
Energy: 1.789896518488182
Energy: 1.625805304044872
Energy: 1.6216614526526785
Energy: 1.7033588255903076
Energy: 1.8273794007316164
Energy: 1.6462654023505074
Energy: 1.6851537780266348
Energy: 1.8423146246926199
Energy: 1.6775271701632197
Energy: 1.646265402347129
Energy: 1.6851537780164996
Energy: 1.8423146246959983
Energy: 1.7542942876222845
Energy: 1.6951445645812169
Energy: 1.7783691424430086
Energy: 1.7069992793403852
Energy: 1.7542942876290415
Energy: 1.6951445645845953
Energy: 1.816373895105409
Energy: 1.7023416068586485
Energy: 1.794139835457983
Energy: 1.9017329655998974
Energy: 1.7361131142056854
Energy: 1.7023416068586485
Energy: 1.794139835457983
Energy: 1.9017329655965187
Energy: 1.7548791792049696
Energy: 1.7294992721966407
Energy: 1.8898124746294478
Energy: 1.7589547466817452
Energy: 1.754879179208348
Energy: 1.7294992721932623
Energy: 1.8898124746294478
Energy: 1.702309256716951
Energy: 1.6851642621100191
Energy: 1.7456481238270423
Energy: 1.6779805684020024
Energy: 1.7023092567101945
Energy: 1.6851642621100191
Energy: 1.7456481238270423
Energy: 1.7753249059446525
Energy: 1.7022469518984475
Energy: 1.8879844434655735
Energy: 1.7068422447340634
Energy: 1.7753249059446525
Energy: 1.702246951901826
Energy: 1.8879844434689517
Energy: 1.645825620080553
Energy: 1.68736309266195
Energy: 1.773192422580929
Energy: 1.6758130253632881
Energy: 1.645825620080553
Energy: 1.68736309266195
Energy: 1.7731924225741724
Energy: 1.7758053910548262
Energy: 1.7084354267037083
Energy: 1.8185652038435072
Energy: 1.7316612729800982
Energy: 1.7758053910548262
Energy: 1.7084354267104649
Energy: 1.8185652038401288
Energy: 1.5925576458746453
Energy: 1.7194888920848423
Energy: 1.7800583509723573
Energy: 1.6326118255080535
Energy: 1.5925576458645103
Energy: 1.719488892081464
Energy: 1.7800583509723573
Energy: 1.6317960314066788
Energy: 1.6333853023984204
Energy: 1.773682580824349
Energy: 1.647238467435559
Energy: 1.6317960313965436
Energy: 1.6333853023950422
Energy: 1.7736825808209709
Energy: 1.5925698893656612
Energy: 1.6654022799043315
Energy: 1.707972621695904
Energy: 1.6274196990705532
Energy: 1.5925698893656612
Energy: 1.66540227990771
Energy: 1.707972621699282
Energy: 1.6323894965205816
Energy: 1.6091527416715732
Energy: 1.7541244525106285
Energy: 1.7789319230503495
Energy: 1.6323894965172032
Energy: 1.6091527416614382
Energy: 1.754124452514007
Energy: 1.6636190650896352
Energy: 1.6627124001278868
Energy: 1.689247260316317
Energy: 1.6284632957034537
Energy: 1.6636190650862568
Energy: 1.6627124001278868
Energy: 1.689247260316317
Energy: 1.6167777339769853
Energy: 1.7094561433142434
Energy: 1.7387625657287382
Energy: 1.8542295736075654
Energy: 1.6167777339803635
Energy: 1.7094561433108653
Energy: 1.7387625657321166
Energy: 1.6481896377663272
Energy: 1.7442793080502972
Energy: 1.7659127143847377
Energy: 1.7073042649305332
Energy: 1.6481896377629486
Energy: 1.7442793080469188
Energy: 1.7659127143914943
Energy: 1.7106128770174764
Energy: 1.697780589927099
Energy: 1.6585384685702351
Energy: 1.8011294803162137
Energy: 1.7106128770174764
Energy: 1.6977805899237821
Energy: 1.6585384685702351
Energy: 1.6473768226276189
Energy: 1.8459933869151297
Energy: 1.7631061817401814
Energy: 1.749457595533464
Energy: 1.6473768226242407
Energy: 1.8459933869218865
Energy: 1.7631061817469382
Energy: 1.7480156007266343
Energy: 1.6892046354557149
Energy: 1.7524342992819886
Energy: 1.8001023291504807
Energy: 1.7480156007198775
Energy: 1.689204635448958
Energy: 1.7524342992887452
Energy: 1.656037133321136
Energy: 1.7391312845627442
Energy: 1.7555457414632256
Energy: 1.7897290612222654
Energy: 1.656037133321136
Energy: 1.739131284559366
Energy: 1.755545741466604
Energy: 1.6216295637687896
Energy: 1.6884083185070478
Energy: 1.800108814132194
Energy: 1.7928132487473476
Energy: 1.6216295638025735
Energy: 1.6884083185036696
Energy: 1.8001088141389505
Energy: 1.6584451701911018
Energy: 1.6282228413374382
Energy: 1.692895929873219
Energy: 1.6995848080987104
Energy: 1.6584451701911018
Energy: 1.6282228413340596
Energy: 1.6928959298799757
Energy: 1.6219532338086031
Energy: 1.6437924987048795
Energy: 1.8116459863419139
Energy: 1.7183687548317954
Energy: 1.6219532338086031
Energy: 1.6437924987082577
Energy: 1.811645986345292
Energy: 1.6371112283919422
Energy: 1.6415335285148085
Energy: 1.6830128687489834
Energy: 1.6160045594692996
Energy: 1.637111228398699
Energy: 1.6415335285148085
Energy: 1.6830128687489834
Energy: 1.6206076653072283
Energy: 1.6115284526259455
Energy: 1.790299441373491
Energy: 1.7082063808141983
Energy: 1.620607665313985
Energy: 1.6115284526293236
Energy: 1.790299441373491
Energy: 1.6218730256005693
Energy: 1.6397846213014156
Energy: 1.6481784216826263
Energy: 1.6210244820403046
Energy: 1.6218730256005693
Energy: 1.6397846213047942
Energy: 1.6481784216826263
Energy: 1.6204339192356048
Energy: 1.6117482515993788
Energy: 1.7593452878892044
Energy: 1.712846527805273
Energy: 1.6204339192389832
Energy: 1.6117482515993788
Energy: 1.7593452878925826
Energy: 1.6133302090288155
Energy: 1.6217874416697788
Energy: 1.7342397946622417
Energy: 1.6214027825286554
Energy: 1.6133302090288155
Energy: 1.6217874416664004
Energy: 1.7342397946588632
Energy: 1.6255762427819545
Energy: 1.6845923366777675
Energy: 1.9043089476898205
Energy: 1.731113287740296
Energy: 1.6255762427819545
Energy: 1.6845923366743891
Energy: 1.9043089476965158
Energy: 1.666476986065825
Energy: 1.7013497647639573
Energy: 1.7433408071730478
Energy: 1.696651787618601
Energy: 1.666476986065825
Energy: 1.7013497647707139
Energy: 1.7433408071764263
Energy: 1.7633162071538078
Energy: 1.6805910292658042
Energy: 1.904573257934992
Energy: 1.7413660651060225
Energy: 1.7633162071605646
Energy: 1.6805910292590474
Energy: 1.9045732579282353
Energy: 1.6662824376545333
Energy: 1.6821117130163947
Energy: 1.8509564646077976
Energy: 1.7761488874292999
Energy: 1.6662824376477767
Energy: 1.6821117130062595
Energy: 1.8509564646145542
Energy: 1.6622154813010077
Energy: 1.68021298964602
Energy: 1.8142630571791558
Energy: 1.7455086366865809
Energy: 1.6622154812908727
Energy: 1.6802129896527769
Energy: 1.8142630571757774
Energy: 1.71409500737786
Energy: 1.7051370901043372
Energy: 1.8777386259408608
Energy: 1.601505802411113
Energy: 1.7140950073812384
Energy: 1.7051370900975804
Energy: 1.8777386259374824
Energy: 1.599096978140213
Energy: 1.6815752758936067
Energy: 1.8145673248716427
Energy: 1.734283580774274
Energy: 1.599096978133456
Energy: 1.6815752758936067
Energy: 1.8145673248783996

minimum gb energy = 1.5925576458645103 eV
minimum distance =  2.19909265931529 Angstroms
sigma value = 365


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

Energy: 1.7268365276396471
Energy: 1.3400406385005128
Energy: 1.750934273075167
Energy: 1.3400406385005128
Energy: 1.7268365276419322
Energy: 1.3400406385005128
Energy: 1.6858685684155565
Energy: 1.7268365276404087
Energy: 1.340040638502036
Energy: 1.4369145431508037
Energy: 1.3400406385005128
Energy: 1.7268365276388853
Energy: 1.340040638499751
Energy: 1.3127286115985926
Energy: 1.7268365276411706
Energy: 1.3400406384989894
Energy: 1.7990170775670398
Energy: 1.3400406384989894
Energy: 1.7268365276388853
Energy: 1.3400406385012744
Energy: 1.3127287261175928
Energy: 1.7268365276388853
Energy: 1.3400406385005128
Energy: 1.6484940505852024
Energy: 1.340040638502036
Energy: 1.7268365276419322
Energy: 1.3400406385012744
Energy: 1.7516641995708055
Energy: 1.7268365276404087
Energy: 1.3400406385005128
Energy: 1.375409413151505
Energy: 1.340040638499751
Energy: 1.7268365276396471
Energy: 1.3400406384982275
Energy: 1.4993054548982048
Energy: 1.7268365276411706
Energy: 1.3400406384989894
Energy: 1.3795188500518973
Energy: 1.340040638499751
Energy: 1.7268365276388853
Energy: 1.3400406385005128
Energy: 1.4014134400777807
Energy: 1.7268365276388853
Energy: 1.340040638499751
Energy: 1.7516641993705844
Energy: 1.340040638502036
Energy: 1.7268365276419322
Energy: 1.3400406385005128
Energy: 1.6853845274643122
Energy: 1.7268365276404087
Energy: 1.3400406385005128
Energy: 1.3127278576385601
Energy: 1.340040638502036
Energy: 1.7268365276388853
Energy: 1.3400406384989894
Energy: 1.312727845745471
Energy: 1.7268365276411706
Energy: 1.3400406384982275
Energy: 1.3174957989787421
Energy: 1.3400406384989894
Energy: 1.7268365276388853
Energy: 1.3400406384989894
Energy: 1.3127277201594363
Energy: 1.7268365276388853
Energy: 1.340040638499751
Energy: 1.685868566616475
Energy: 1.340040638502036
Energy: 1.7268365276419322
Energy: 1.340040638502036
Energy: 1.6858685665365323
Energy: 1.7268365276404087
Energy: 1.340040638499751
Energy: 1.3795618650185264
Energy: 1.340040638499751
Energy: 1.7268365276388853
Energy: 1.3400406384989894
Energy: 1.3127275562582652
Energy: 1.7268365276411706
Energy: 1.3400406384989894
Energy: 1.3175010921104162
Energy: 1.3400406384989894
Energy: 1.7268365276388853
Energy: 1.3400406385012744
Energy: 1.3174947226319262
Energy: 1.7268365276396471
Energy: 1.3400406385005128
Energy: 1.3174982729324072
Energy: 1.3400406385012744
Energy: 1.7268365276419322
Energy: 1.340040638499751
Energy: 1.317502445219893
Energy: 1.7268365276404087
Energy: 1.3400406385012744
Energy: 1.3174987663130964
Energy: 1.3400406385005128
Energy: 1.7268365276388853
Energy: 1.3400406384989894
Energy: 1.317482033378413
Energy: 1.7268365276411706
Energy: 1.3400406384989894
Energy: 1.3174992161436114
Energy: 1.3400406384989894
Energy: 1.7268365276388853
Energy: 1.3400406385005128
Energy: 1.317499890839164
Energy: 1.7268365276388853
Energy: 1.3400406385005128
Energy: 1.3175036405632443
Energy: 1.340040638502036
Energy: 1.7268365276411706
Energy: 1.3400406385005128
Energy: 1.3175000602951452
Energy: 1.7268365276404087
Energy: 1.3400406385012744
Energy: 1.3174977887450599
Energy: 1.3400406385005128
Energy: 1.7268365276388853
Energy: 1.340040638499751
Energy: 1.3175035488787925
Energy: 1.7268365276411706
Energy: 1.340040638499751
Energy: 1.3174913422526124
Energy: 1.340040638499751
Energy: 1.7268365276388853
Energy: 1.3400406385005128
Energy: 1.317501084467186
Energy: 1.7268365276388853
Energy: 1.340040638502036
Energy: 1.3175015414597497
Energy: 1.340040638502036
Energy: 1.7268365276419322
Energy: 1.340040638502036
Energy: 1.3174998196906484
Energy: 1.7268365276404087
Energy: 1.340040638502036
Energy: 1.3174921847474323
Energy: 1.3400406385005128
Energy: 1.7268365276388853
Energy: 1.3400406384982275
Energy: 1.3174992282620923

minimum gb energy = 1.3127275562582652 eV
minimum distance =  2.37456102603028 Angstroms
sigma value = 23