Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049985826015473
cohesive_energy=3.3534000933305403
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.011683026554847641
Energy: 0.9140568055243833
Energy: 0.6541995071446006
Energy: 0.011683026554847641
Energy: 0.9143534464630025
Energy: 0.914196294713531
Energy: 0.011683026554847641
Energy: 0.9140493883552833
Energy: 0.9143449905735722
Energy: 0.011683026554847641
Energy: 0.8718084787371618
Energy: 0.012802584243715043
Energy: 0.5766800847875201
Energy: 0.8718084787371618
Energy: 0.012802584242563367
Energy: 0.5766800576119602
Energy: 0.8718084787371618
Energy: 0.012802584243715043
Energy: 0.5766800974227319
Energy: 0.8718084787383136
Energy: 0.5471637242566784
Energy: 0.014665972972708809
Energy: 0.08300614630474099
Energy: 0.8154596785687179
Energy: 0.014665972972708809
Energy: 0.014665972972708809
Energy: 0.793454995852416
Energy: 0.014665972972708809
Energy: 0.014665972972708809
Energy: 0.7027702676463391
Energy: 0.8718084787383136
Energy: 0.5766800134290279
Energy: 0.012802584242563367
Energy: 0.8718084787371618
Energy: 0.5766800154700624
Energy: 0.012802584243715043
Energy: 0.8718084787383136
Energy: 0.576679967157921
Energy: 0.012802584242563367
Energy: 0.8718084787371618
Energy: 0.011683026554847641
Energy: 0.9141089886989707
Energy: 0.1765341348453307
Energy: 0.011683026553695963
Energy: 0.9142248822491539
Energy: 0.9142494896078655
Energy: 0.011683026554847641
Energy: 0.9144224053774167
Energy: 0.695450037354307
Energy: 0.011683026554847641
Energy: 0.8718084787371618
Energy: 0.012802584243715043
Energy: 0.5766801460859777
Energy: 0.8718084787371618
Energy: 0.012802584242563367
Energy: 0.5766801330950808
Energy: 0.8718084787371618
Energy: 0.012802584243715043
Energy: 0.5766801667966217
Energy: 0.8718084787371618
Energy: 0.4167355996436579
Energy: 0.014665972971557127
Energy: 0.38708663643225144
Energy: 0.41672920980409034
Energy: 0.014665972972708809
Energy: 0.16163486208721253
Energy: 0.4167362002082292
Energy: 0.014665972971557127
Energy: 0.08300614630474099
Energy: 0.41672776509964277

minimum gb energy = 0.011683026553695963 eV
minimum distance =  2.59114049508625 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.7360776899410758
Energy: 0.7473758816174741
Energy: 0.6065401400887195
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Energy: 0.6065386858952937
Energy: 0.7432196665684722
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Energy: 0.7832935354552477
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Energy: 0.6772349739401874
Energy: 0.6817237695381546
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Energy: 0.7790831278031775
Energy: 0.6555255877651573
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Energy: 0.7868906298830382
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Energy: 0.5566951734542683
Energy: 0.7101661407689882
Energy: 0.7906489984587483
Energy: 0.5565838260345574
Energy: 0.7132214881678653
Energy: 0.5967457591213216
Energy: 0.7360746994295437
Energy: 0.7473758814578811
Energy: 0.6016047930121202
Energy: 0.7360729883370457
Energy: 0.7473758815190716
Energy: 0.5967572046481474
Energy: 0.736074441541857
Energy: 0.7473758817494468
Energy: 0.6016046513575833
Energy: 0.7432196674995378
Energy: 0.5566319690185294
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Energy: 0.7432196711641228
Energy: 0.5566319690171188
Energy: 0.7832935353836195
Energy: 0.7432196770475702
Energy: 0.5566319690179652
Energy: 0.783293535401674
Energy: 0.7432196794739828
Energy: 0.7200069199076664
Energy: 0.688037151354166
Energy: 0.7575751140416042
Energy: 0.7228648495799391
Energy: 0.6880371513448567
Energy: 0.7575751140427326
Energy: 0.7200069198884835
Energy: 0.6880371513519091
Energy: 0.7575751140418864
Energy: 0.7228648495852991
Energy: 0.7555126524537324
Energy: 0.65420845509418
Energy: 0.5840716430664907
Energy: 0.7555126524531682
Energy: 0.6542081109793276
Energy: 0.5840986424443119
Energy: 0.755512652452604
Energy: 0.6542084420944728
Energy: 0.5841091106761143
Energy: 0.755512652452886

minimum gb energy = 0.5501248817149964 eV
minimum distance =  2.53146190899265 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.6299845270377686
Energy: 0.6149022408781761
Energy: 0.5883074116461053
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minimum gb energy = 0.530665678536483 eV
minimum distance =  2.46203448180028 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.7157795451621954
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Energy: 0.6534889978099094
Energy: 0.7143081255692408
Energy: 0.713171916742864
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Energy: 0.7143081008239979
Energy: 0.7131719167464217
Energy: 0.6534889978297868
Energy: 0.7143081356548745
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Energy: 0.653488997834135
Energy: 0.7048208635971637
Energy: 0.6544082001795912
Energy: 0.6722210540190283
Energy: 0.7018969936450469
Energy: 0.6702388698577616
Energy: 0.6722210540117437
Energy: 0.7043271455944934
Energy: 0.6546079513898703
Energy: 0.672221053979443
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Energy: 0.7375469988126236
Energy: 0.680710431545686
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Energy: 0.7375469988000591
Energy: 0.6770878831223459
Energy: 0.7413395094535689
Energy: 0.7375469988112402
Energy: 0.6807104314725857
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Energy: 0.7375469987879462
Energy: 0.7318931732418572
Energy: 0.6668355473770735
Energy: 0.5978657171652205
Energy: 0.7318931731591006
Energy: 0.6668352494574549
Energy: 0.5978657392263372
Energy: 0.731893173025154
Energy: 0.6668347864555937
Energy: 0.597865726601253
Energy: 0.7318931728613913
Energy: 0.6862355566281525
Energy: 0.7321933554103471
Energy: 0.7261602379892367
Energy: 0.6862355571819808
Energy: 0.7272059291098893
Energy: 0.7261602378807298
Energy: 0.6862355570696057
Energy: 0.7321933763058689
Energy: 0.7261602379515149
Energy: 0.6862355582763107
Energy: 0.7610454623398449
Energy: 0.7646045684974444
Energy: 0.6931528484815264
Energy: 0.7610438318226043
Energy: 0.7454253422746885
Energy: 0.693157795405383
Energy: 0.761044262878268
Energy: 0.7646045678329352
Energy: 0.6931504212113677
Energy: 0.7610426744636434
Energy: 0.7425935210988013
Energy: 0.6258587269550925
Energy: 0.7081165174499764
Energy: 0.7425935210994224
Energy: 0.627182791051082
Energy: 0.7081166102955241
Energy: 0.7425935210983213
Energy: 0.6258589075686698
Energy: 0.7081166453034619
Energy: 0.7425935210966272

minimum gb energy = 0.589664445767786 eV
minimum distance =  2.49305730161534 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.6282525052975725
Energy: 0.795780658738624
Energy: 0.7879289035512937
Energy: 0.603439045678232
Energy: 0.7957806587364916
Energy: 0.7879289022920812
Energy: 0.6282525056737879
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Energy: 0.603439045678232
Energy: 0.7085085181094685
Energy: 0.7045317636012027
Energy: 0.8607145804665787
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Energy: 0.8607145804660455
Energy: 0.708508543189228
Energy: 0.6823887341683742
Energy: 0.7853009080332372
Energy: 0.7002145052544754
Energy: 0.6823887341689073
Energy: 0.7853009080337704
Energy: 0.7035842957225003
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Energy: 0.7984340426337093
Energy: 0.8280113391007059
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Energy: 0.7984339759999829
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Energy: 0.8694484530082611
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Energy: 0.8169157203651438
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Energy: 0.709463035578846
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Energy: 0.6232494225855292
Energy: 0.8587601784403963
Energy: 0.8451490033234191
Energy: 0.6101281879469895
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Energy: 0.623254952044271
Energy: 0.8587601784398631
Energy: 0.845149003234436
Energy: 0.6101281879437908
Energy: 0.6858918526885212
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Energy: 0.7137550527556159
Energy: 0.7257676903646197
Energy: 0.6941645233415037
Energy: 0.6963321001628238
Energy: 0.6858920030562615
Energy: 0.6941645233409707
Energy: 0.713755052756149
Energy: 0.7257676903640867
Energy: 0.7043067662236099
Energy: 0.5957100604257238
Energy: 0.8383312386819032
Energy: 0.7043067662236099
Energy: 0.5957071524111898
Energy: 0.8383312386819032
Energy: 0.7043067662241431
Energy: 0.5957084931694382
Energy: 0.8383312386829697
Energy: 0.7043067662241431
Energy: 0.715000554532826
Energy: 0.6833648627956281
Energy: 0.7853320522188125
Energy: 0.7150005545349585
Energy: 0.6833648627641982
Energy: 0.7853320522188125
Energy: 0.7150005545349585
Energy: 0.683364862786032
Energy: 0.7853320522177463
Energy: 0.7150005545338922
Energy: 0.6730719653966637
Energy: 0.7243187307510593
Energy: 0.7076939291803571
Energy: 0.6730719654872706
Energy: 0.7266892453114769
Energy: 0.7076939292096789
Energy: 0.6730719656913596
Energy: 0.726801010588415
Energy: 0.7076939293860456
Energy: 0.6730719659908536
Energy: 0.6034390456899367
Energy: 0.7957806574405176
Energy: 0.7879288675382936
Energy: 0.6034390456904697
Energy: 0.7957806574154852
Energy: 0.7879288674844726
Energy: 0.6034390456883373
Energy: 0.7957806575097995
Energy: 0.7879288653918189
Energy: 0.6034390456878042

minimum gb energy = 0.5957071524111898 eV
minimum distance =  2.61758401651423 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.656733383962852
Energy: 0.6465901311423093
Energy: 0.6719588196318966
Energy: 0.6113249875539808
Energy: 0.646590010728052
Energy: 0.6719348891202647
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Energy: 0.7165931540981065
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Energy: 0.6627940779119523
Energy: 0.5992625393704563
Energy: 0.6603446079227856
Energy: 0.657278131216391
Energy: 0.6666916556569352
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Energy: 0.614503297076332
Energy: 0.7245215953709717
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Energy: 0.6575536947656447
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Energy: 0.6060324736407119
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Energy: 0.5637575769343827
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Energy: 0.5799035239348798
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Energy: 0.6049351512554838
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Energy: 0.6515881264020505
Energy: 0.6049351512571385
Energy: 0.6093969474339637
Energy: 0.6515878744178796
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Energy: 0.6132244837596554
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Energy: 0.6132244837565716
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Energy: 0.6409626233479784
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Energy: 0.6267420010258867
Energy: 0.6674546945065836
Energy: 0.62683154377431
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Energy: 0.6674628937494892
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Energy: 0.6275304574718964
Energy: 0.6674480026533002
Energy: 0.6268315438441868
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Energy: 0.5988405022014045
Energy: 0.7085630112779716
Energy: 0.6819382511746647
Energy: 0.5988427342273702
Energy: 0.7183533605890545
Energy: 0.6791269325420908
Energy: 0.5988449112985327
Energy: 0.7081267223381744
Energy: 0.6819372009451343
Energy: 0.5988501144141124
Energy: 0.5541496515465202
Energy: 0.5988201277605654
Energy: 0.612078113776102
Energy: 0.5541496477025433
Energy: 0.6089722242162781
Energy: 0.5982039638270789
Energy: 0.5541496461276824
Energy: 0.5987920841540052
Energy: 0.6120782053948698
Energy: 0.5541496438945204
Energy: 0.6084844974227306
Energy: 0.6271780015116087
Energy: 0.5593539493333233
Energy: 0.6084844968258067
Energy: 0.5748332192562234
Energy: 0.5593528668155534
Energy: 0.6084844974382253
Energy: 0.6271780963404601
Energy: 0.559352790969163
Energy: 0.6084844967997439
Energy: 0.6633908482168955
Energy: 0.6018433812522185
Energy: 0.6685904433341128
Energy: 0.6633908482162937
Energy: 0.5775135905687272
Energy: 0.6685904433574678
Energy: 0.6633908482156544
Energy: 0.6018433817019049
Energy: 0.6685904433562266
Energy: 0.6633908482175348
Energy: 0.7875358311031914
Energy: 0.6475973581504483
Energy: 0.554385882152647
Energy: 0.7875358311073283
Energy: 0.6475973567195157
Energy: 0.554385882152647
Energy: 0.7875358311034171
Energy: 0.6475973582581595
Energy: 0.5543858821563702
Energy: 0.7875358311071027

minimum gb energy = 0.5424942420984934 eV
minimum distance =  2.52020372640971 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.29200354993725597
Energy: 0.29209615723696103
Energy: 0.37700583921659914
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Energy: 0.37700583921659914
Energy: 0.43250329769536205
Energy: 0.2872911124223226
Energy: 0.5657414980806672
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Energy: 0.43250329769487095
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Energy: 0.565741498304509
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Energy: 0.5521454969265516
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Energy: 0.6274545438643085
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Energy: 0.7594202457551242
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Energy: 0.4075280595175014
Energy: 0.3792245265460274
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Energy: 0.351290815755813
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Energy: 0.4075280593432583
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Energy: 0.2885043361279926
Energy: 0.35129081847738386
Energy: 0.3850121433317683
Energy: 0.44919856849785184
Energy: 0.30278340318208985
Energy: 0.3772557055898053
Energy: 0.44919856849785184
Energy: 0.3027834031823354
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Energy: 0.44919856849760625
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Energy: 0.3772557055900509
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Energy: 0.29215427849803793
Energy: 0.3662388307364162
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Energy: 0.292003546966843
Energy: 0.2920936035224438
Energy: 0.3662388307364162
Energy: 0.38507655820483444
Energy: 0.2872911117311764
Energy: 0.5243490349549045
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Energy: 0.6214210320645287
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Energy: 0.6214361535222689
Energy: 0.4053781995725144
Energy: 0.44162267825152096
Energy: 0.5986633795231795
Energy: 0.40990214736312924
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Energy: 0.292497740824935
Energy: 0.6081441238289467
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Energy: 0.29249771445155714
Energy: 1.2998730848483278
Energy: 0.48624813974271447
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Energy: 1.299873084848082
Energy: 0.4862450731814977
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Energy: 1.2998730848478366
Energy: 0.2928417094043277
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Energy: 0.7594202457902363
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Energy: 0.3865650590166316
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Energy: 0.6907137232043541
Energy: 0.3763919221815821
Energy: 0.30192928063298624
Energy: 0.6897595958693201
Energy: 0.3950691767207416
Energy: 0.30188950111266705
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Energy: 0.3763919221805999
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Energy: 0.38724261049042125
Energy: 0.29245645473481097
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Energy: 0.29249774315183624
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Energy: 0.3750560537117269
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Energy: 1.2998730848483278
Energy: 0.5521455177914967
Energy: 0.39800077438926257
Energy: 1.2998730848485731
Energy: 0.6274545171188729
Energy: 0.3935725652156571
Energy: 1.299873084849064
Energy: 0.5521455223297399
Energy: 0.39800077438901704
Energy: 1.299873084849064
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Energy: 0.38401685373854266
Energy: 0.7594202457735397
Energy: 0.29284170590696684
Energy: 0.38510091322973206
Energy: 0.759420245785571
Energy: 0.29284172824962956
Energy: 0.3840168537395248
Energy: 0.7594202457759951
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Energy: 0.6675775783168577
Energy: 0.41334346166029007
Energy: 0.30187629868342397
Energy: 0.6735711960547586
Energy: 0.40266110854824855
Energy: 0.30180885708601896
Energy: 0.6668354914761652
Energy: 0.4133434616590623
Energy: 0.3020062465080597
Energy: 0.6865188600213293
Energy: 0.3275693002332835
Energy: 0.4057877357740686
Energy: 0.2924564546464617
Energy: 0.39442016971227134
Energy: 0.37848027058886086
Energy: 0.292456454601796
Energy: 0.3275688820070039
Energy: 0.4057877357752963
Energy: 0.2924564546064613
Energy: 0.3944193726371205
Energy: 0.4075280591650644
Energy: 0.37922452654700955
Energy: 0.2885043361304256
Energy: 0.351290829511169
Energy: 0.3544107447409283
Energy: 0.2885043361292203
Energy: 0.40752805888061927
Energy: 0.3792245265465185
Energy: 0.28850433612848364
Energy: 0.3512908208924111
Energy: 0.3850121433320139
Energy: 0.44919856849834283
Energy: 0.30278340318208985
Energy: 0.37725570559054195
Energy: 0.44919856849785184
Energy: 0.3027834031823354
Energy: 0.3850121433320139
Energy: 0.44919856849760625
Energy: 0.3027834031818443
Energy: 0.37725570559054195

minimum gb energy = 0.2872911114288069 eV
minimum distance =  2.6448579296218 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.5243150047909051
Energy: 0.6662595684023803
Energy: 0.5875589399652428
Energy: 0.5129773516186122
Energy: 0.666259568603125
Energy: 0.5875733910673953
Energy: 0.5243146755095157
Energy: 0.666259568972288
Energy: 0.5875559172793727
Energy: 0.5158572746252817
Energy: 0.5818097248985754
Energy: 0.4938879659547558
Energy: 0.5901599264246156
Energy: 0.5818097189352547
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Energy: 0.5901599230508772
Energy: 0.5818096789907208
Energy: 0.6015458306006003
Energy: 0.5592273656835253
Energy: 0.5996781529746339
Energy: 0.6015460034330858
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Energy: 0.5470989195324437
Energy: 0.6306708102973614
Energy: 0.5522543505568049
Energy: 0.5813984763992073
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Energy: 0.6084190607973499
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Energy: 0.503549466165652
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Energy: 0.6472811780641615
Energy: 0.6161574135394272
Energy: 0.5017810658920795
Energy: 0.6472811781140106
Energy: 0.6161558029071112
Energy: 0.5900045261282092
Energy: 0.5863842654128263
Energy: 0.511550095258598
Energy: 0.5900110682500657
Energy: 0.5863837763411942
Energy: 0.5123147033795885
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Energy: 0.630026099256391
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Energy: 0.599767786182716
Energy: 0.5989629354656654
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Energy: 0.573327416503216
Energy: 0.5757860719324323
Energy: 0.5989506937637211
Energy: 0.5720686689750265
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Energy: 0.5989472573008572
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Energy: 0.5942625045678978
Energy: 0.5825355733669111
Energy: 0.5732396437726781
Energy: 0.5901431455607274
Energy: 0.5825355734315876
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Energy: 0.5964509562549728
Energy: 0.5547622220917146
Energy: 0.6285204376919844
Energy: 0.5964521809234234
Energy: 0.554762223437715

minimum gb energy = 0.4887484589433086 eV
minimum distance =  2.49177042675987 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.5753501351354856
Energy: 0.7331947378095112
Energy: 0.7363606046823886
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Energy: 0.6318082616522044
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Energy: 0.6439680329039721
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Energy: 0.6736108052690793
Energy: 0.5876186891666128
Energy: 0.7063491739500646
Energy: 0.7003766374643604
Energy: 0.5876186891657206
Energy: 0.7063491739500646
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Energy: 0.5876186891657206
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Energy: 0.7003766374875547
Energy: 0.5876186891657206
Energy: 0.7098297660592726
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Energy: 0.7923899161709343
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Energy: 0.7061773997725846
Energy: 0.7923899161727185
Energy: 0.7098297589293189
Energy: 0.7061774187593293
Energy: 0.7923899161745026
Energy: 0.7098297561294271

minimum gb energy = 0.5753501351354856 eV
minimum distance =  2.5760620956876 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 0.8460095880127129
Energy: 0.634452900218741
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Energy: 0.6251590420419658
Energy: 0.8373810857685876
Energy: 0.774514850298635
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minimum gb energy = 0.6210284582884109 eV
minimum distance =  2.50669765096516 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.679694180554084
Energy: 0.8054137491163627
Energy: 0.705420271224267
Energy: 0.7225506704122118
Energy: 0.6369096116976307
Energy: 0.7054202712232595
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Energy: 0.7054202712260805
Energy: 0.7225506704772603
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Energy: 0.7054202712268866
Energy: 0.6626352159488675
Energy: 0.7996596168844299
Energy: 0.6131741322820151
Energy: 0.6626352159333702
Energy: 0.7996596168854374
Energy: 0.6131747157202081
Energy: 0.6626352159007453
Energy: 0.7996596168848329
Energy: 0.6131740754251879
Energy: 0.6626352158634858
Energy: 0.6399573600214409
Energy: 0.6434339784882581
Energy: 0.6483705641397445
Energy: 0.6399573600139853
Energy: 0.6434336908131248
Energy: 0.6483705641467971
Energy: 0.6399573600111642
Energy: 0.6434326794148238
Energy: 0.6483705641536481
Energy: 0.6399573600071342
Energy: 0.6264628150544073
Energy: 0.7666527351237161
Energy: 0.65531100678725
Energy: 0.6264417992939216
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Energy: 0.6553110067866454
Energy: 0.6264572339709606
Energy: 0.7666527351235146
Energy: 0.6553110067866454
Energy: 0.6265151139117859
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Energy: 0.844261009453892
Energy: 0.8434882713518642
Energy: 0.6181101509056902
Energy: 0.8442610094540937
Energy: 0.8434882707488248
Energy: 0.6181101509044812
Energy: 0.844261009453892
Energy: 0.8434882699047165
Energy: 0.6181101509030708
Energy: 0.6422011533922896
Energy: 0.6540199055933091
Energy: 0.6726504662994616
Energy: 0.6422011567226531
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Energy: 0.6726504586216279
Energy: 0.6422011590900405
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Energy: 0.6726504586683578
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Energy: 0.6662156929934463
Energy: 0.6218697221048153
Energy: 0.6433269465736647
Energy: 0.6662156929932448
Energy: 0.621869679906167
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Energy: 0.6218696648884725
Energy: 0.6433268898515688
Energy: 0.6662156929920358
Energy: 0.6606123182687144
Energy: 0.6170509949563039
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Energy: 0.7082228620620599
Energy: 0.6458220440439905
Energy: 0.7336124217746413
Energy: 0.7082228620346739
Energy: 0.6458220440443935
Energy: 0.7336124194499357
Energy: 0.7082228620668959
Energy: 0.6458220440441919
Energy: 0.7336124192624293
Energy: 0.708222862075359
Energy: 0.7727476015084211
Energy: 0.6663726634841542
Energy: 0.761601902515867
Energy: 0.7727476015078167
Energy: 0.6663726641701574
Energy: 0.7616019025160685
Energy: 0.7727476015078167
Energy: 0.6663726643020861
Energy: 0.7616019025156838
Energy: 0.7727476015080181
Energy: 0.6577502782459358
Energy: 0.6518904244483058
Energy: 0.7525009843059742
Energy: 0.6577502727447773
Energy: 0.6345037418096677
Energy: 0.7525009830497766
Energy: 0.6577502693642765
Energy: 0.6402099240009904
Energy: 0.7525009861372208
Energy: 0.65775026392976
Energy: 0.7029118475577548
Energy: 0.6207243370978445
Energy: 0.6209374582688948
Energy: 0.7029118475569488
Energy: 0.6207243371018563
Energy: 0.6209374582618421
Energy: 0.7029118475579562
Energy: 0.6207243370708433
Energy: 0.6209374582634543
Energy: 0.7029118475579562
Energy: 0.6565827950040426
Energy: 0.7806655505068011
Energy: 0.7912728265752375
Energy: 0.6565827950040426
Energy: 0.7806655505648152
Energy: 0.7912728265748344
Energy: 0.6565827950040426
Energy: 0.7806655506320801
Energy: 0.7912728265748344
Energy: 0.6565827950040426
Energy: 0.8054137491159596
Energy: 0.6943443873498719
Energy: 0.6796941827988302
Energy: 0.8054137491151536
Energy: 0.6943444158921888
Energy: 0.6796941832201884
Energy: 0.805413749115758
Energy: 0.6943444370473105
Energy: 0.6796941828008453
Energy: 0.8054137491161611
Energy: 0.7054202712224534
Energy: 0.7225506706146293
Energy: 0.6369112627176436
Energy: 0.705420271225073
Energy: 0.7225506706458438
Energy: 0.6369096762187912
Energy: 0.70542027122467
Energy: 0.722550670665994
Energy: 0.6369091552300473
Energy: 0.7054202712266849
Energy: 0.6626352157712347
Energy: 0.7996596168848329
Energy: 0.61316841334788
Energy: 0.6626352157335723
Energy: 0.7996596168842284
Energy: 0.6131683923204553
Energy: 0.662635215714228
Energy: 0.7996596168852359
Energy: 0.6131683640818745
Energy: 0.662635215715437

minimum gb energy = 0.6131683640818745 eV
minimum distance =  2.50762893945561 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.6272091579267726
Energy: 0.6488979079352161
Energy: 0.6270961863328126
Energy: 0.6272091565136066
Energy: 0.6226709841282373
Energy: 0.6270961863342692
Energy: 0.6272091548219659
Energy: 0.6134256616806155
Energy: 0.6270961863390038
Energy: 0.6272091534695869
Energy: 0.663387998940081
Energy: 0.5983660873310775
Energy: 0.6650972076876729
Energy: 0.6633879989404453
Energy: 0.598366087318695
Energy: 0.6650972076873087
Energy: 0.6633879989393526
Energy: 0.5983660872957675
Energy: 0.6650972076873087
Energy: 0.6633879989393526
Energy: 0.6302624536671172
Energy: 0.6137838592560197
Energy: 0.6900578212068554
Energy: 0.6302624596685283
Energy: 0.61300229720233
Energy: 0.6900578211780842
Energy: 0.6302624710965392
Energy: 0.6128233394568773
Energy: 0.6900578211955654
Energy: 0.630262478504925
Energy: 0.7740030018356759
Energy: 0.6242703375509631
Energy: 0.7225757523967684
Energy: 0.7740030018338548
Energy: 0.6242703375968182
Energy: 0.7225757523971326
Energy: 0.7740030018364044
Energy: 0.6242703376499736
Energy: 0.7225757524004104
Energy: 0.7740030018433239
Energy: 0.6873077620072717
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Energy: 0.6487462492775096
Energy: 0.6873077620072717
Energy: 0.6088591475175482
Energy: 0.6487462492986161
Energy: 0.6873077620076359
Energy: 0.6088591475179124
Energy: 0.6487462493215437
Energy: 0.687307762008
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Energy: 0.6270961863433742
Energy: 0.627209159562725
Energy: 0.6138424440700474
Energy: 0.6270961863473802
Energy: 0.6272091577877174
Energy: 0.612284764569416
Energy: 0.6270961863477444
Energy: 0.6272091565849552
Energy: 0.6231482556773066
Energy: 0.5983660873296207
Energy: 0.6650972076873087
Energy: 0.6633879989422662
Energy: 0.5983660872630067
Energy: 0.6650972076869445
Energy: 0.6633879989426305
Energy: 0.5983660872859342
Energy: 0.6650972076869445
Energy: 0.6633879989433589
Energy: 0.5983660872225979
Energy: 0.6140551996072143
Energy: 0.6900578213167918
Energy: 0.6302624599652128
Energy: 0.6145046709041508
Energy: 0.6900578213258968
Energy: 0.6302624718879458
Energy: 0.6078002453677979
Energy: 0.6900578212428938
Energy: 0.6302624757666945
Energy: 0.6007707216656868
Energy: 0.6242703375232843
Energy: 0.7225757524066015
Energy: 0.7740030018309414
Energy: 0.6242703375622364
Energy: 0.7225757524106077
Energy: 0.774003001830213
Energy: 0.6242703376070154
Energy: 0.7225757524164348
Energy: 0.7740030018331264
Energy: 0.6242703376659815
Energy: 0.6088591475175482
Energy: 0.6487462490962079
Energy: 0.6873077620076359
Energy: 0.6088591475175482
Energy: 0.6487462490754654
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Energy: 0.608859147517184
Energy: 0.6487462491526412
Energy: 0.687307762008
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Energy: 0.6270961863641166
Energy: 0.62720916299845
Energy: 0.6155045923619116
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Energy: 0.6272091616318842
Energy: 0.6251295571544557
Energy: 0.6270961863684869
Energy: 0.6272091597953445
Energy: 0.6266980518389071
Energy: 0.6270961863732214
Energy: 0.6650972076873087
Energy: 0.6633879989433589
Energy: 0.5983660874046114
Energy: 0.6650972076876729
Energy: 0.6633879989444513
Energy: 0.5983660873882227
Energy: 0.6650972076876729
Energy: 0.6633879989440872
Energy: 0.5983660873674802
Energy: 0.665097207688037
Energy: 0.6900578216156614
Energy: 0.6302624115440253
Energy: 0.6149177190673987
Energy: 0.6900578215191836
Energy: 0.6302624245486582
Energy: 0.614907198397187
Energy: 0.6900578215111879
Energy: 0.6302624369202418
Energy: 0.6149060895009588
Energy: 0.6900578214238148
Energy: 0.7225757524025954
Energy: 0.7740030018134767
Energy: 0.6242703375272904
Energy: 0.7225757524106077
Energy: 0.7740030018291203
Energy: 0.6242703375764399
Energy: 0.7225757524051448
Energy: 0.7740030018185587
Energy: 0.6242703376055587
Energy: 0.7225757523978609
Energy: 0.6487462489436941
Energy: 0.6873077620076359
Energy: 0.6088591475175482
Energy: 0.6487462490095798
Energy: 0.687307762008
Energy: 0.6088591475182765
Energy: 0.6487462489775473
Energy: 0.687307762008
Energy: 0.6088591475175482
Energy: 0.6487462491045843
Energy: 0.6272091645943578
Energy: 0.6194832509863755
Energy: 0.6270961863721287
Energy: 0.6272091631273246
Energy: 0.6247977438590102
Energy: 0.6270961863728571
Energy: 0.6272091613413912
Energy: 0.6267143015935237
Energy: 0.6270961863743139
Energy: 0.6272091601182344
Energy: 0.6633879989437229
Energy: 0.5983660873485421
Energy: 0.665097207688037
Energy: 0.6633879989444513
Energy: 0.5983660873365404
Energy: 0.665097207688037
Energy: 0.6633879989459082
Energy: 0.5983660873642025
Energy: 0.665097207688037
Energy: 0.6633879989455439
Energy: 0.6302623916064268
Energy: 0.6149257934034146
Energy: 0.6900578215829006
Energy: 0.6302624013504449
Energy: 0.6149014802875885
Energy: 0.6900578214616743
Energy: 0.6302624094967176
Energy: 0.6149110865788658
Energy: 0.6900578214704148
Energy: 0.6302624205494115
Energy: 0.7740030018506078
Energy: 0.6242703375036345
Energy: 0.7225757524364488
Energy: 0.7740030018487868
Energy: 0.6242703375312966
Energy: 0.7225757524277081
Energy: 0.7740030018480584
Energy: 0.6242703375778967
Energy: 0.7225757524277081
Energy: 0.7740030018291203
Energy: 0.687307762008
Energy: 0.6088591475186408
Energy: 0.6487462488683393
Energy: 0.687307762008
Energy: 0.6088591475182765
Energy: 0.6487462488919953
Energy: 0.687307762008
Energy: 0.6088591475182765
Energy: 0.6487462488981867
Energy: 0.687307762008
Energy: 0.6272722405512997
Energy: 0.6270961863826904
Energy: 0.6272091665219126
Energy: 0.6225404363852656
Energy: 0.6270961863910667
Energy: 0.6272091646606243
Energy: 0.6238388303767995
Energy: 0.6270961863928878
Energy: 0.6272091634578623
Energy: 0.6260542336353256
Energy: 0.5983660873802104
Energy: 0.6650972076876729
Energy: 0.6633879989466365
Energy: 0.5983660873296207
Energy: 0.6650972076876729
Energy: 0.6633879989470007
Energy: 0.5983660873285281
Energy: 0.665097207688037
Energy: 0.663387998947729
Energy: 0.5983660873037632

minimum gb energy = 0.5983660872225979 eV
minimum distance =  2.58886851683594 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.6441391755137789
Energy: 0.725262103792241
Energy: 0.7544379447625762
Energy: 0.63960789402085
Energy: 0.725270439713664
Energy: 0.7544379446916184
Energy: 0.644139175324018
Energy: 0.7252726966754843
Energy: 0.7544379443615928
Energy: 0.6396079081560019
Energy: 0.7578281733355816
Energy: 0.6368879974620547
Energy: 0.7328758440338825
Energy: 0.7578269610627577
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Energy: 0.7578097932240945
Energy: 0.7129024598809051
Energy: 0.6565307384044696
Energy: 0.7873097923602573
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Energy: 0.7129024290463069
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Energy: 0.691445092096341
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Energy: 0.6834624998834933
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Energy: 0.8048408273457006
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Energy: 0.6361015287339897
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Energy: 0.7969851818553515
Energy: 0.7547852077981244
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Energy: 0.7967294726105723
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Energy: 0.6159410795281118
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Energy: 0.6312216020977834
Energy: 0.6438844847335212
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Energy: 0.6202372811608875
Energy: 0.6658720545278292
Energy: 0.7472822790226421
Energy: 0.6194895430425804
Energy: 0.6659832335788636
Energy: 0.7472810321297556
Energy: 0.6202373561319322
Energy: 0.6658616987985339
Energy: 0.7472825898044503
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Energy: 0.6515520725593255
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Energy: 0.6228074870946272
Energy: 0.7621425943103634
Energy: 0.6251014672176262
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Energy: 0.7733001879100339
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Energy: 0.773300509508548
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Energy: 0.6498894319426833
Energy: 0.6480792377088342
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Energy: 0.648074225761377
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Energy: 0.653598964056416
Energy: 0.6744534919638391
Energy: 0.6889770060946333
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Energy: 0.6889770060929824
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Energy: 0.6889770060946333
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Energy: 0.6744534919638391
Energy: 0.6874257461254824
Energy: 0.7196026375651122
Energy: 0.7274170576237191
Energy: 0.6874257461254824
Energy: 0.7196026374594862
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Energy: 0.6874257461271331
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Energy: 0.6161004756767949
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Energy: 0.7454528576111314
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Energy: 0.6161004741900137
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Energy: 0.6166839880169097
Energy: 0.7302928424482572
Energy: 0.6164951959646807
Energy: 0.7083155740572756
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Energy: 0.6164951959630299
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Energy: 0.730292145289804
Energy: 0.7395742443158503
Energy: 0.6902589252989438
Energy: 0.7230699855391898
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Energy: 0.6893357961002562
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Energy: 0.7453461703159515
Energy: 0.6329561233562457
Energy: 0.6731525831349076
Energy: 0.7489123215589956
Energy: 0.6359582313974225
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Energy: 0.7445254139841715
Energy: 0.6762288822550708
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Energy: 0.6384300847901141
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Energy: 0.7224468824183793
Energy: 0.7509727379452451
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Energy: 0.6187046015978577
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Energy: 0.7247517548904984
Energy: 0.7205015626689422
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Energy: 0.7026441598285164
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Energy: 0.7033905806452901
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Energy: 0.6616200332254734
Energy: 0.7116104537049148
Energy: 0.7324875182774163
Energy: 0.708324200059361
Energy: 0.6720330267886128
Energy: 0.7324875182807181
Energy: 0.7055758666841547
Energy: 0.7116238539923088
Energy: 0.7324875182889725
Energy: 0.7083251007863501
Energy: 0.6720329182535874
Energy: 0.6407266936027033
Energy: 0.8208537932163481
Energy: 0.7129128722613265
Energy: 0.6407266936027033
Energy: 0.820853786544818
Energy: 0.7129128739576791
Energy: 0.6407266936027033
Energy: 0.820853770827164
Energy: 0.7129128757926456
Energy: 0.6407266936027033
Energy: 0.7311250794751171
Energy: 0.6085468088911059
Energy: 0.7936302247857793
Energy: 0.7307759773011072
Energy: 0.6085475116204333
Energy: 0.7936302259821258
Energy: 0.7287478902540997
Energy: 0.6085476638331412
Energy: 0.7936302271768516
Energy: 0.7311199630569473
Energy: 0.7457302974195338
Energy: 0.7142995356787532
Energy: 0.6416841077825503
Energy: 0.7457302979294151
Energy: 0.7167704709205738
Energy: 0.6423443958585604
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Energy: 0.7457302977115892
Energy: 0.7557904282034502
Energy: 0.7147597791116469
Energy: 0.6299576577440663
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Energy: 0.7147597793343954
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Energy: 0.7557904282034502
Energy: 0.7147597792568642
Energy: 0.6299576548034914
Energy: 0.7557904282034502
Energy: 0.6999630310038942
Energy: 0.6861955338287837
Energy: 0.677002037555273
Energy: 0.6999630311029169
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Energy: 0.6770020372516314
Energy: 0.6999630312266728
Energy: 0.6861955337231574
Energy: 0.6770020379612091
Energy: 0.6999630315863841
Energy: 0.7884741157858122
Energy: 0.7025353972355659
Energy: 0.6394939236570778
Energy: 0.7884741142726469
Energy: 0.7025353972405186
Energy: 0.6394939236570778
Energy: 0.7884741178682904
Energy: 0.7025353972405186
Energy: 0.6394939236570778
Energy: 0.7884741151257608
Energy: 0.6197830163285317
Energy: 0.6924057338142068
Energy: 0.7071105719489632
Energy: 0.6197830143252357
Energy: 0.6932288594735311
Energy: 0.7071105795115775
Energy: 0.6197830144902635
Energy: 0.6905777535806887
Energy: 0.7071105772723559
Energy: 0.61978301356289
Energy: 0.6972686180339114
Energy: 0.7138460888762904
Energy: 0.7361036512259203
Energy: 0.6972686519741121
Energy: 0.6438181626280979
Energy: 0.7341755597348679
Energy: 0.6972674006786329
Energy: 0.7138460888762904
Energy: 0.7361038368722492
Energy: 0.6972683169565973
Energy: 0.7949172103639192
Energy: 0.623259908121998
Energy: 0.7208030720782233
Energy: 0.7949172103639192
Energy: 0.6232599080741527
Energy: 0.7208030721673406
Energy: 0.7949172103672209
Energy: 0.6232599080493895
Energy: 0.7208030717448959
Energy: 0.7949172103639192
Energy: 0.6484412068300185
Energy: 0.7987401881803531
Energy: 0.6512276298174348
Energy: 0.6484412068349711
Energy: 0.7988381588723956
Energy: 0.65122762988344
Energy: 0.6484412068217642
Energy: 0.798632977950471
Energy: 0.6512276297316492
Energy: 0.6484412067986819
Energy: 0.7433502604519382
Energy: 0.61589276485568
Energy: 0.818841245999522
Energy: 0.7433503898811121
Energy: 0.6113775254645194
Energy: 0.818841245999522
Energy: 0.7433503795313946
Energy: 0.6158927648639344
Energy: 0.8188412460011729
Energy: 0.7433503073639318
Energy: 0.7240261816525898
Energy: 0.6501539382380291
Energy: 0.6995072876470125
Energy: 0.7240261814017463
Energy: 0.6501544355440433
Energy: 0.6995003962877328
Energy: 0.7240261808737053
Energy: 0.6501543705926605
Energy: 0.6994985997660391
Energy: 0.7240261817614878
Energy: 0.6915442807860939
Energy: 0.6679759132219104
Energy: 0.6139650489478591
Energy: 0.691545442953915
Energy: 0.6679758943722999
Energy: 0.6159768886057275
Energy: 0.6915489362691134
Energy: 0.6679759164347602
Energy: 0.6139650511772053
Energy: 0.6915509795354288
Energy: 0.6411110493788604
Energy: 0.6461941380787944
Energy: 0.7846085301605135
Energy: 0.6411110493772096
Energy: 0.6461941379781508
Energy: 0.78460853015391
Energy: 0.6411110493772096
Energy: 0.6461941379880561
Energy: 0.7846085301456556
Energy: 0.6411110493772096
Energy: 0.6886903103600903
Energy: 0.7465617608776
Energy: 0.7166357535631415
Energy: 0.6646771931460215
Energy: 0.7465617608776
Energy: 0.716635754962486
Energy: 0.688679499217053
Energy: 0.7465617608792509
Energy: 0.7166357551324365
Energy: 0.6702863371595037

minimum gb energy = 0.6069315040931622 eV
minimum distance =  2.52364941550027 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.6197426241679728
Energy: 0.6928160156300083
Energy: 0.7471641055974823
Energy: 0.6197433623712038
Energy: 0.6928149736195621
Energy: 0.7471641056095111
Energy: 0.6197454140986269
Energy: 0.6928143790297027
Energy: 0.7471641054772481
Energy: 0.6197451315863295
Energy: 0.8494587793084634
Energy: 0.6122550655388739
Energy: 0.6760206472929898
Energy: 0.8494588881569505
Energy: 0.6122550655761635
Energy: 0.6760213863980041
Energy: 0.8494588066367663
Energy: 0.612255065651918
Energy: 0.6760218592946104
Energy: 0.8494589325995612
Energy: 0.6909948518297946
Energy: 0.6128688705613896
Energy: 0.7738102857088474
Energy: 0.6909948518297946
Energy: 0.6128688705607881
Energy: 0.7705503278090811
Energy: 0.690994851830396
Energy: 0.6128688705607881
Energy: 0.7579246194767587
Energy: 0.6872815755042222
Energy: 0.7038454498650093
Energy: 0.8213392294713439
Energy: 0.6995105015627319
Energy: 0.7038454983331119
Energy: 0.8213392294719455
Energy: 0.6995105025113731
Energy: 0.7038455856594724
Energy: 0.8213392294713439
Energy: 0.6995105015987912
Energy: 0.7038456209527802
Energy: 0.7256883205399122
Energy: 0.6182688397932763
Energy: 0.8509002634706714
Energy: 0.7256882811784645
Energy: 0.6182688397926748
Energy: 0.8509002630432361
Energy: 0.7256881750713318
Energy: 0.6182688394067117
Energy: 0.8509002640971026
Energy: 0.7256881354886346
Energy: 0.7601775571204825
Energy: 0.7184163358140064
Energy: 0.6072981356182324
Energy: 0.7601775571222869
Energy: 0.7184163457755047
Energy: 0.6072981355045869
Energy: 0.7601775571228883
Energy: 0.7184163471930808
Energy: 0.6072981356182324
Energy: 0.7601775571252941
Energy: 0.7151250005380656
Energy: 0.7504949637315179
Energy: 0.5950252796110876
Energy: 0.6932960967119091
Energy: 0.7504949637309165
Energy: 0.5950252796116892
Energy: 0.6839271595610301
Energy: 0.7504949637315179
Energy: 0.5950252796128921
Energy: 0.6932963177045778
Energy: 0.6877626336871747
Energy: 0.7608183148874912
Energy: 0.7037419436977336
Energy: 0.6877626335290496
Energy: 0.7608183148868896
Energy: 0.7037419434542581
Energy: 0.6877626334671282
Energy: 0.7608183148868896
Energy: 0.7037419434680914
Energy: 0.6877626333865894
Energy: 0.915975539448495
Energy: 0.7194547527468894
Energy: 0.6301044214955324
Energy: 0.9159755394478936
Energy: 0.7194547527474907
Energy: 0.6301044214648587
Energy: 0.9159755394466906
Energy: 0.7194547527468894
Energy: 0.6301044209538774
Energy: 0.9159755394472919
Energy: 0.6817129498209806
Energy: 0.708553017664304
Energy: 0.674655187223714
Energy: 0.6817129498209806
Energy: 0.7033981380880971
Energy: 0.6736000894557094
Energy: 0.6817129498209806
Energy: 0.70305254828265
Energy: 0.6738480579803283
Energy: 0.6817129498209806
Energy: 0.7359070690925941
Energy: 0.6965683507590889
Energy: 0.7066965965882452
Energy: 0.7359070690919927
Energy: 0.6965683507584874
Energy: 0.7066965966092957
Energy: 0.7359070690931956
Energy: 0.696568350757886
Energy: 0.6942574373019935
Energy: 0.7359070690919927
Energy: 0.8529619333819243
Energy: 0.6074447744868267
Energy: 0.809205848681489
Energy: 0.8529619333819243
Energy: 0.6074447744597891
Energy: 0.809205848681489
Energy: 0.8529619333819243
Energy: 0.6074447744579847
Energy: 0.8092058486820904
Energy: 0.8529619333825257
Energy: 0.6345613217230729
Energy: 0.637152646285959
Energy: 0.6297747421290023
Energy: 0.634561321728486
Energy: 0.6353058076994909
Energy: 0.6297747418524474
Energy: 0.634561321731493
Energy: 0.6355812305408013
Energy: 0.6297747414280194
Energy: 0.6345613217375076
Energy: 0.7297658046300725
Energy: 0.6401765109684773
Energy: 0.8412489371132476
Energy: 0.7297658046306739
Energy: 0.6401765109690787
Energy: 0.8412489371138491
Energy: 0.7297658046300725
Energy: 0.6401765109684773
Energy: 0.8412489371150519
Energy: 0.7297658046300725

minimum gb energy = 0.5950252796110876 eV
minimum distance =  2.49873126697866 Angstroms
sigma value = 33