Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004
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=4.039798453450203
cohesive_energy=2.8885682080333717
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: 0.010129720420849184
Energy: 0.27942325030089066
Energy: 0.27942325030204807
Energy: 0.010129720420849184
Energy: 0.27942325030204807
Energy: 0.27942325030089066
Energy: 0.010129720420849184
Energy: 0.27942325030204807
Energy: 0.27942325030089066
Energy: 0.010129720420849184
Energy: 0.2770797968667511
Energy: 0.013977517546437924
Energy: 0.27696112466579137
Energy: 0.2770797968667511
Energy: 0.013977517546437924
Energy: 0.27696112466694883
Energy: 0.27707979686559364
Energy: 0.013977517546437924
Energy: 0.27696112466347633
Energy: 0.27707979686559364
Energy: 1.2035822080315641
Energy: 0.31142609798423443
Energy: 0.5132819447032256
Energy: 0.9738413736250364
Energy: 0.31142609798423443
Energy: 0.4248329424708654
Energy: 0.5897488067171057
Energy: 0.46296037893280334
Energy: 0.31142609798423443
Energy: 0.5897486740601556
Energy: 0.27707979686559364
Energy: 0.27696112466347633
Energy: 0.013977517546437924
Energy: 0.27707979686559364
Energy: 0.27696112466579137
Energy: 0.013977517545280432
Energy: 0.27707979686559364
Energy: 0.2769611246623189
Energy: 0.013977517546437924
Energy: 0.27707979686559364
Energy: 0.010129720422006678
Energy: 0.27942325030089066
Energy: 0.27942325030089066
Energy: 0.010129720420849184
Energy: 0.27942325030204807
Energy: 0.27942325030089066
Energy: 0.010129720420849184
Energy: 0.27942325030089066
Energy: 0.27942325030089066
Energy: 0.010129720420849184
Energy: 0.27707979686559364
Energy: 0.013977517546437924
Energy: 0.27696112466347633
Energy: 0.27707979686559364
Energy: 0.013977517546437924
Energy: 0.2769611246623189
Energy: 0.27707979686559364
Energy: 0.013977517546437924
Energy: 0.27696112466347633
Energy: 0.27707979686559364
Energy: 0.589748377093599
Energy: 0.010854830966900627
Energy: 0.16657345911533836
Energy: 0.5897559289845148
Energy: 0.010854830965743132
Energy: 0.16657345911533836
Energy: 0.58975178802303
Energy: 0.010854830965743132
Energy: 0.5132819447032256
Energy: 0.5897688170811888

minimum gb energy = 0.010129720420849184 eV
minimum distance =  2.5709728102236 Angstroms
sigma value = 3


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

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Energy: 0.7732871155435681
Energy: 0.603127045564147
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Energy: 0.6731600263267686
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Energy: 0.7518263586477401
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Energy: 0.7732022554429804
Energy: 0.7732871155452693
Energy: 0.7151920806003609
Energy: 0.7732022554455322
Energy: 0.7732871155441351
Energy: 0.603127045564147
Energy: 0.7732022554492181
Energy: 0.7732871155540586
Energy: 0.7151920806000776
Energy: 0.6731600263284698
Energy: 0.7305472188841993
Energy: 0.7530205658221348
Energy: 0.6731600263239333
Energy: 0.7305472188841993
Energy: 0.7530205658255114
Energy: 0.6731600263227993
Energy: 0.7305472188827815
Energy: 0.7530205658241195
Energy: 0.6731600263239333
Energy: 0.7699675039247694
Energy: 0.8213236526292167
Energy: 0.7523405699325667
Energy: 0.7418100525912015
Energy: 0.8213236526360213
Energy: 0.7523405699319996
Energy: 0.7699675039250529
Energy: 0.8213236526309178
Energy: 0.7523405699274632
Energy: 0.7418100526107648
Energy: 0.7731989035521002
Energy: 0.773003533726622
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Energy: 0.7730035337237866
Energy: 0.6031116753192948
Energy: 0.7731989035532343
Energy: 0.7730035337195338
Energy: 0.6031116753190112
Energy: 0.7731989035521002

minimum gb energy = 0.5787571389750509 eV
minimum distance =  2.67134335789439 Angstroms
sigma value = 75


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

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Energy: 0.7246654613597183
Energy: 0.7246746324368785
Energy: 0.7930380347906052
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minimum gb energy = 0.7172194522958835 eV
minimum distance =  2.51186168029905 Angstroms
sigma value = 105


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

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Energy: 0.9240174676969234
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Energy: 0.8093727264044894
Energy: 0.9216803762629191
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Energy: 0.8762512108986705
Energy: 0.864209775178675
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Energy: 0.8642097751766462
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Energy: 0.8444023600426709
Energy: 0.8762512109017919
Energy: 0.7741834670623842
Energy: 0.7741920862125234
Energy: 0.8190139823932128
Energy: 0.7741834670617598
Energy: 0.7741920862100262
Energy: 0.8189389892608968
Energy: 0.8428087463727989
Energy: 0.7741920862137721
Energy: 0.8190139823994557
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Energy: 0.8615847147472392
Energy: 0.8078085953362335
Energy: 0.8283330595721227
Energy: 0.8654935821434256
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Energy: 0.8283330595699376
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Energy: 0.8078085953318632
Energy: 0.828333059570718
Energy: 0.865493582144206
Energy: 0.8305580602775651
Energy: 0.8068374537036708
Energy: 0.8345962183928789
Energy: 0.8359141631427497
Energy: 0.8068374537021101
Energy: 0.8740826146218769
Energy: 0.8305580602853687
Energy: 0.8068374537044511
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Energy: 0.7741284363587799
Energy: 0.8310025722998308
Energy: 0.7741981053657734
Energy: 0.7741284363565949
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Energy: 0.7741981053654612
Energy: 0.7741284363572193
Energy: 0.8310025722970215
Energy: 0.7741981053634321
Energy: 0.7741284363594043
Energy: 0.9222908353761604
Energy: 0.8541112033369364
Energy: 0.871143302847443
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Energy: 0.860213425400711
Energy: 0.920586018126309
Energy: 0.8310889295448579
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Energy: 0.9205860181253726
Energy: 0.8310889295428289
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Energy: 0.8627475892680205
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Energy: 0.863388787215868
Energy: 0.8627120209406631
Energy: 0.8635639388217176
Energy: 0.8633887872160239
Energy: 0.862747589266616
Energy: 0.8635639388201567
Energy: 0.8633887872153997
Energy: 0.8627120209417557
Energy: 0.8725798790334527
Energy: 0.8623710594544542
Energy: 0.8067051098659931
Energy: 0.8725798790347012
Energy: 0.8623710594544542
Energy: 0.8067051098705194
Energy: 0.8725798790357938
Energy: 0.8623710594547666
Energy: 0.8067051098663053
Energy: 0.8725798790345453
Energy: 0.8779670564303311
Energy: 0.8793212255563624
Energy: 0.7753410963982096
Energy: 0.8779670564357938
Energy: 0.879321225553397
Energy: 0.7753410963980535
Energy: 0.877967056436262
Energy: 0.879321225551368
Energy: 0.7753410963978974
Energy: 0.8779670564356378
Energy: 0.8412747954027039
Energy: 0.8416267948227831
Energy: 0.8310270261417286
Energy: 0.8412813909576624
Energy: 0.8415607003266738
Energy: 0.8310270261393874
Energy: 0.8412747953984898
Energy: 0.8416267948203001
Energy: 0.8310270261411044
Energy: 0.8412813909568961
Energy: 0.8506552085609171
Energy: 0.8744238833971587
Energy: 0.774475975965705
Energy: 0.8506552085570153
Energy: 0.8744238833968466
Energy: 0.7744759759683442
Energy: 0.8506552085623217
Energy: 0.8744238833957542
Energy: 0.7744759759688123
Energy: 0.85065520856279
Energy: 0.763490907087462
Energy: 0.7887131295384431
Energy: 0.8274464123488974
Energy: 0.7634909070926125
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Energy: 0.8274464123509263
Energy: 0.7634909070930807
Energy: 0.7887131295396916
Energy: 0.8274464123492095
Energy: 0.7634909070910517
Energy: 0.8603496807240587
Energy: 0.8644069886598197
Energy: 0.8476085549185662
Energy: 0.8457374813389883
Energy: 0.8429065127048109
Energy: 0.8476085549185662
Energy: 0.8205520994573782
Energy: 0.8644069886899282
Energy: 0.8476085549226241
Energy: 0.8575062763218908
Energy: 0.8372538059573147
Energy: 0.8129373074786932
Energy: 0.8192802633876404
Energy: 0.837253805957939
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Energy: 0.819280263388733
Energy: 0.8372538059594998
Energy: 0.8129373074788492
Energy: 0.8192802633877965
Energy: 0.8372538059570026
Energy: 0.8025311834393457
Energy: 0.9045997410844504
Energy: 0.7876715526761954
Energy: 0.8025311834371607
Energy: 0.9045997410830456
Energy: 0.7876715526783804
Energy: 0.8025311834366924
Energy: 0.9045997410846065
Energy: 0.7876715526757271
Energy: 0.8025311834429355
Energy: 0.7704237095510202
Energy: 0.8414261649202045
Energy: 0.841946976196937
Energy: 0.7704237095503959
Energy: 0.8414261649144438
Energy: 0.8419469761997463
Energy: 0.770423709552581
Energy: 0.8414261649161464
Energy: 0.8419469761949079
Energy: 0.7704237095496156
Energy: 0.7743774058444249
Energy: 0.8193085560825688
Energy: 0.8158693362646054
Energy: 0.7743774058455173
Energy: 0.8193552305198312
Energy: 0.8158693362639811
Energy: 0.7743774058472344
Energy: 0.8193085560805399
Energy: 0.815869336263669
Energy: 0.7743774058431764
Energy: 0.9189172636900717
Energy: 0.8188653097762382
Energy: 0.8140409696230361
Energy: 0.9189172636875742
Energy: 0.8189966069614625
Energy: 0.8140409696217874
Energy: 0.9189172636891351
Energy: 0.8188653097759261
Energy: 0.8140409696238163
Energy: 0.9189172636906959
Energy: 0.8063634105023221
Energy: 0.8063256638401157
Energy: 0.8636307749670309
Energy: 0.8063634104988883
Energy: 0.8063256638443299
Energy: 0.8636307749685916
Energy: 0.8063634104956108
Energy: 0.8063256638455785
Energy: 0.8636307749693719
Energy: 0.8063634104993567
Energy: 0.8087210035761294
Energy: 0.9192549013643676
Energy: 0.8346568344540878
Energy: 0.8087210035767538
Energy: 0.9236691875917866
Energy: 0.8346568344540878
Energy: 0.8087210035734761
Energy: 0.9192549013615582
Energy: 0.8346568344550243
Energy: 0.80872100357332
Energy: 0.8635403005436743
Energy: 0.843620862896744
Energy: 0.8830741591651966
Energy: 0.8635403005457032
Energy: 0.8438269106653941
Energy: 0.8830741591664453
Energy: 0.8635403005467959
Energy: 0.8436208628923738
Energy: 0.8830741591693965
Energy: 0.8635403005416452
Energy: 0.8199313115769971
Energy: 0.8190076142346395
Energy: 0.8197052735220592
Energy: 0.8199313115752802
Energy: 0.8189617038391146
Energy: 0.8197052735222152
Energy: 0.8199313115749679
Energy: 0.8190076142365125
Energy: 0.8197052735204984
Energy: 0.8199313115766848

minimum gb energy = 0.7634697374111968 eV
minimum distance =  2.62423251416908 Angstroms
sigma value = 165


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

Energy: 0.9099015987213652
Energy: 0.8643202754981612
Energy: 0.8661245371447767
Energy: 0.8514922625154225
Energy: 0.8643202755008402
Energy: 0.86612453714049
Energy: 0.909901598722437
Energy: 0.8643202755024476
Energy: 0.8661245371410259
Energy: 0.8514922625138152
Energy: 0.9177269482275764
Energy: 0.8438574959066873
Energy: 0.9176634670335734
Energy: 0.9177269482270408
Energy: 0.8438574959050801
Energy: 0.9176634670351808
Energy: 0.9177269482275764
Energy: 0.8438574959029368
Energy: 0.917663467037324
Energy: 0.9177269482281123
Energy: 0.8537412653176867
Energy: 0.8722621544484264
Energy: 0.86182824194376
Energy: 0.8537412653262597
Energy: 0.872262154446819
Energy: 0.8617931091496847
Energy: 0.853741265322509
Energy: 0.8722621544462832
Energy: 0.8618282419442959
Energy: 0.853741265323045
Energy: 0.878633611390768
Energy: 0.8781756983049699
Energy: 0.8442405716297021
Energy: 0.8786336113913037
Energy: 0.8781756983049699
Energy: 0.8442405716313097
Energy: 0.8786336113902321
Energy: 0.8781756983076489
Energy: 0.8442405716302379
Energy: 0.8786336113896962
Energy: 0.9129172273939653
Energy: 0.8819871423757925
Energy: 0.8115834324606968
Energy: 0.9129172275021513
Energy: 0.8819871423747209
Energy: 0.8115834324623042
Energy: 0.9129172274421642
Energy: 0.8819871423795433
Energy: 0.8115834324628401
Energy: 0.9129172273671744
Energy: 0.8441846678905685
Energy: 0.8995954398634068
Energy: 0.8773199113797039
Energy: 0.8441846678927117
Energy: 0.8995954398607279
Energy: 0.8773199113791682
Energy: 0.8441846678959266
Energy: 0.8995954398585846
Energy: 0.8773199113780965
Energy: 0.8441846678937834
Energy: 0.863599190158543
Energy: 0.8960704150859361
Energy: 0.8768275617060386
Energy: 0.8635991901580072
Energy: 0.8960704150859361
Energy: 0.8768275617065744
Energy: 0.863599190155328
Energy: 0.8960704150843286
Energy: 0.8768275617065744
Energy: 0.8635991901574713
Energy: 0.9082950743371604
Energy: 0.8631418633752419
Energy: 0.8638998338363462
Energy: 0.9082950743382321
Energy: 0.8631418633784567
Energy: 0.8638998338390254
Energy: 0.9082950743344814
Energy: 0.8631418633779209
Energy: 0.8638998338395613
Energy: 0.9082950743371604
Energy: 0.8653173006143792
Energy: 0.8770212302466868
Energy: 0.8962016088675561
Energy: 0.8653173006143792
Energy: 0.8770212302445436
Energy: 0.8961273147944998
Energy: 0.8653173006149149
Energy: 0.8770212302472227
Energy: 0.8962016088686278
Energy: 0.8653173006165225
Energy: 0.8961429913127344
Energy: 0.8776656381347486
Energy: 0.9382079210868679
Energy: 0.8489610796220031
Energy: 0.8776656381320694
Energy: 0.9382079210884753
Energy: 0.8961429913164852
Energy: 0.8776656381336769
Energy: 0.938207921086332
Energy: 0.8489610796220031
Energy: 0.8745212177121486
Energy: 0.811475500565345
Energy: 0.9781899014746364
Energy: 0.864290102149385
Energy: 0.811475500565345
Energy: 0.9513765739632473
Energy: 0.8745212177110768
Energy: 0.8114755005658809
Energy: 0.9781899014751722
Energy: 0.8642901021472418
Energy: 0.8840448555943118
Energy: 0.8443680663515224
Energy: 0.8771309215615742
Energy: 0.8840448555932401
Energy: 0.8443680663542014
Energy: 0.87713092156211
Energy: 0.8840448555932401
Energy: 0.8443680663557844
Energy: 0.8771309215610383
Energy: 0.8840448555910968
Energy: 0.9040635171639946
Energy: 0.8617573122353377
Energy: 0.907325865575252
Energy: 0.9040635171639946
Energy: 0.8617573122358736
Energy: 0.9073258655693581
Energy: 0.9040635171591722
Energy: 0.8617573122353377
Energy: 0.9073258655661431
Energy: 0.9040635171645304
Energy: 0.8638699161654172
Energy: 0.8906518161682664
Energy: 0.8435455120863645
Energy: 0.8638699161664889
Energy: 0.8906518161661229
Energy: 0.8435455120869004
Energy: 0.8638699161675606
Energy: 0.890651816169338
Energy: 0.8435455120869004
Energy: 0.8638699161616665
Energy: 0.8514922625132793
Energy: 0.8643202754992328
Energy: 0.8661245371426335
Energy: 0.8514922625143511
Energy: 0.8643202755040552
Energy: 0.8661245371388826
Energy: 0.8514922625127437
Energy: 0.8643202755040552
Energy: 0.8661245371388826
Energy: 0.8514922625122078

minimum gb energy = 0.811475500565345 eV
minimum distance =  2.60302423236379 Angstroms
sigma value = 41


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

Energy: 0.8057341462696757
Energy: 0.792221030407296
Energy: 0.788042037996814
Energy: 0.7968317376499553
Energy: 0.7922210304170857
Energy: 0.7880420379991198
Energy: 0.8057341468450828
Energy: 0.7922210304208278
Energy: 0.7880420380001404
Energy: 0.7968317376541132
Energy: 0.8022874200480451
Energy: 0.6943532304282091
Energy: 0.8395428742283678
Energy: 0.8022874200430556
Energy: 0.6943532304219724
Energy: 0.8395428742343779
Energy: 0.802287420046382
Energy: 0.6943532304282091
Energy: 0.8395428742312784
Energy: 0.8022874200451345
Energy: 0.7472036090013008
Energy: 0.6919010915970534
Energy: 0.7607004196513486
Energy: 0.7645071459682561
Energy: 0.6919010916043106
Energy: 0.7524394207254465
Energy: 0.764525141227459
Energy: 0.6919010916015891
Energy: 0.7458106414627301
Energy: 0.7645071459647029
Energy: 0.7545311048675897
Energy: 0.7525284971803583
Energy: 0.7501620765623868
Energy: 0.7545311048734107
Energy: 0.7525284971820214
Energy: 0.7503594449566525
Energy: 0.7545311048759052
Energy: 0.7525284971822105
Energy: 0.7501620765584558
Energy: 0.7545311048750737
Energy: 0.7618817419540428
Energy: 0.8333768604441577
Energy: 0.7496125929572504
Energy: 0.7618817420606725
Energy: 0.8333768604458208
Energy: 0.7508687814296269
Energy: 0.7618817421001343
Energy: 0.8333768604449893
Energy: 0.7496125929651125
Energy: 0.7618817419577849
Energy: 0.7482183951464387
Energy: 0.8049069560014608
Energy: 0.765763041761463
Energy: 0.7482183951489334
Energy: 0.8049069560058077
Energy: 0.7657630417662257
Energy: 0.7482183951489334
Energy: 0.804906956003124
Energy: 0.7657630417628993
Energy: 0.7482183951472703
Energy: 0.7487245889157123
Energy: 0.6919489888075229
Energy: 0.8195722972407462
Energy: 0.7487245889146539
Energy: 0.6919489888060866
Energy: 0.8195722972380247
Energy: 0.7487245889136335
Energy: 0.6919489888073339
Energy: 0.8195722972374201
Energy: 0.7487245889140492
Energy: 0.7940805815829661
Energy: 0.7791635175935914
Energy: 0.8096712963583765
Energy: 0.7940805815798666
Energy: 0.7789531940682819
Energy: 0.809671296363366
Energy: 0.7940805815757087
Energy: 0.7791635175969177
Energy: 0.8096712963610602
Energy: 0.7940805815761245
Energy: 0.7654459883745337
Energy: 0.7769016915036155
Energy: 0.7457991249370994
Energy: 0.7654459883732864
Energy: 0.7769016915071308
Energy: 0.7672339466018882
Energy: 0.7654459883701868
Energy: 0.7769016915117044
Energy: 0.7457991249381577
Energy: 0.7654459883730973
Energy: 0.6974518039685805
Energy: 0.8040552194987364
Energy: 0.7681069536456182
Energy: 0.6974518039673332
Energy: 0.7928013531400416
Energy: 0.7664255043679254
Energy: 0.6974518039689963
Energy: 0.8040552195058047
Energy: 0.7681069536464497
Energy: 0.6974518039675599
Energy: 0.6937022558925636
Energy: 0.7670078886115993
Energy: 0.7674216820606414
Energy: 0.6937022558890106
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Energy: 0.7673691095814184
Energy: 0.6937022558902579
Energy: 0.7670078886097473
Energy: 0.767421682059205
Energy: 0.693702255891921
Energy: 0.6925270947347341
Energy: 0.7505797940574812
Energy: 0.8047199877995855
Energy: 0.6925270947316347
Energy: 0.7366406233540805
Energy: 0.8047199877962593
Energy: 0.6925270947274769
Energy: 0.750579789693678
Energy: 0.8047199877938024
Energy: 0.6925270947303873
Energy: 0.8134960492511791
Energy: 0.7483203915791131
Energy: 0.8363867849525932
Energy: 0.8134960492546944
Energy: 0.7483018298183537
Energy: 0.8363867849517617
Energy: 0.8134960492521998
Energy: 0.7483203915788864
Energy: 0.8363867849567511
Energy: 0.8134960492540897
Energy: 0.7885460762675869
Energy: 0.8069972686648382
Energy: 0.7483329823741853
Energy: 0.7885460762696658
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Energy: 0.74833298237668
Energy: 0.7885460762727653
Energy: 0.8069972686627594
Energy: 0.7483329823818962
Energy: 0.7885460762667552
Energy: 0.6940046162104168
Energy: 0.8155613279387716
Energy: 0.7506832414825648
Energy: 0.6940046162039911
Energy: 0.8155613279398298
Energy: 0.7506832414840012
Energy: 0.6940046162127226
Energy: 0.8155613279412661
Energy: 0.7506832414827539
Energy: 0.6940046162118909
Energy: 0.6970996475963133
Energy: 0.7386558871416335
Energy: 0.7519346100337219
Energy: 0.6970996475971448
Energy: 0.7386558871513855
Energy: 0.7519346100333061
Energy: 0.6970996475963133
Energy: 0.7386558871480592
Energy: 0.7519346100337219
Energy: 0.6970996475989969
Energy: 0.7117987051327581
Energy: 0.7740753591857065
Energy: 0.7893033877187906
Energy: 0.7117987051381633
Energy: 0.758822938196733
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Energy: 0.711798705135026
Energy: 0.774075359188806
Energy: 0.7893033877171275
Energy: 0.711798705131284
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Energy: 0.7695533118934303
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Energy: 0.7910626126990492
Energy: 0.7685789447354274
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Energy: 0.7734949909906578
Energy: 0.7695533119071134
Energy: 0.7078564287160337
Energy: 0.7910626126954962
Energy: 0.7813348887750013
Energy: 0.8026688693955427
Energy: 0.6919105290066716
Energy: 0.8030846969380044
Energy: 0.7968622820719398
Energy: 0.6919105290075033
Energy: 0.7893575142907311
Energy: 0.7655895079362702
Energy: 0.6919105290083348
Energy: 0.789357514285099
Energy: 0.7491492027968113
Energy: 0.8641381934093579
Energy: 0.6944215235079463
Energy: 0.7488738953143323
Energy: 0.8641381934154057
Energy: 0.6944215235106677
Energy: 0.749149202789932
Energy: 0.8641381934081106
Energy: 0.6944215235112725
Energy: 0.7488738953145213
Energy: 0.7950488549021434
Energy: 0.787748030220428
Energy: 0.78850617153827
Energy: 0.7950509246650214
Energy: 0.7877480302131329
Energy: 0.7885061715297652
Energy: 0.7950488549090227
Energy: 0.7877480302143803
Energy: 0.7885061715335073
Energy: 0.7950509246664578
Energy: 0.7385075886635503
Energy: 0.7514340837418698
Energy: 0.7672503602928822
Energy: 0.7385075886602239
Energy: 0.751434083739375
Energy: 0.7672503602908032
Energy: 0.7385075886612824
Energy: 0.7514340837354061
Energy: 0.767250360289556
Energy: 0.7385075886596191
Energy: 0.692554020325078
Energy: 0.7595089826579449
Energy: 0.7249494314129229
Energy: 0.6925540203240196
Energy: 0.7595089826589654
Energy: 0.7133259976102118
Energy: 0.6925540203238305
Energy: 0.7595089826641815
Energy: 0.7332804989856797
Energy: 0.692554020322999
Energy: 0.7658213090634962
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Energy: 0.6941476601000639
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Energy: 0.765821309065802
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Energy: 0.7658213090676541
Energy: 0.8046202028713899
Energy: 0.9670161049650895
Energy: 0.6957265680239197
Energy: 0.804620202878874
Energy: 0.9670161049675842
Energy: 0.6957265680245622
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Energy: 0.7662056600428875
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Energy: 0.7605387536236768
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Energy: 0.6956100909213299
Energy: 0.7581812384754635
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Energy: 0.7581812385054
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Energy: 0.7942789588247776
Energy: 0.7293864867986012
Energy: 0.7945087152765813
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Energy: 0.7942789588291244
Energy: 0.7293864871362933
Energy: 0.794508715282818
Energy: 0.693790621829678
Energy: 0.714644421458069
Energy: 0.7474141528203353
Energy: 0.6937906218288464
Energy: 0.7286628776249664
Energy: 0.7535832097007121
Energy: 0.6937906218240837
Energy: 0.7146444092475541
Energy: 0.747414152825098
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Energy: 0.6970320924839731
Energy: 0.7690222351797942
Energy: 0.7671335651676577
Energy: 0.6970320924798153
Energy: 0.7692713772845211
Energy: 0.7670846448659822
Energy: 0.6970320924810627
Energy: 0.7690222351827047
Energy: 0.7671335651639157
Energy: 0.6970320924858253
Energy: 0.7116714159331423
Energy: 0.750572967680149
Energy: 0.7535072312351646
Energy: 0.7116714159306475
Energy: 0.7503504174823283
Energy: 0.7535072312324809
Energy: 0.7116714159331423
Energy: 0.7505729676843068
Energy: 0.7535072312295705
Energy: 0.7116714159279638
Energy: 0.8316818315256228
Energy: 0.7505615361523515
Energy: 0.7311303169530444
Energy: 0.8316818315266434
Energy: 0.7507390280885825
Energy: 0.7311303169530444
Energy: 0.8316818315376805
Energy: 0.7505615361540147
Energy: 0.7311303169528554
Energy: 0.8316818315274749
Energy: 0.7877171194348829
Energy: 0.7938509907896736
Energy: 0.74836382772298
Energy: 0.7877171194307251
Energy: 0.8105494994926585
Energy: 0.7483638277246432
Energy: 0.7877171194350718
Energy: 0.7827247262797893
Energy: 0.7483638277271379
Energy: 0.7877171194417244

minimum gb energy = 0.6919010915970534 eV
minimum distance =  2.63675153083805 Angstroms
sigma value = 185


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

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Energy: 0.3814754817792645
Energy: 0.3821680238374203
Energy: 0.3691814954087686
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Energy: 0.36918149540950895
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Energy: 0.36918149540926215
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Energy: 0.47328085762845
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Energy: 0.38284570763523706
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Energy: 0.3865282293024774
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Energy: 0.5744224935308073
Energy: 0.3865215820592874
Energy: 0.3828457076376824
Energy: 0.5744224851800724
Energy: 0.3910411988323
Energy: 0.5796584015879094
Energy: 0.3825692063108976
Energy: 0.39104119883550814
Energy: 0.5796584015881562
Energy: 0.38256920631237823
Energy: 0.3910411988330404
Energy: 0.5796584015879094
Energy: 0.3825692063116379
Energy: 0.3910411988352614
Energy: 0.3687890002402197
Energy: 0.33679411100308854
Energy: 0.3817200494686416
Energy: 0.38936733618850733
Energy: 0.3919361169012679
Energy: 0.3817200494688884
Energy: 0.36878900024192474
Energy: 0.336794111000374
Energy: 0.3817200494634592
Energy: 0.38936733619048153
Energy: 0.520302605484051
Energy: 0.4958000002394258
Energy: 0.38155645049613196
Energy: 0.5203026056335316
Energy: 0.4958000002416467
Energy: 0.38155645049687226
Energy: 0.5203026057031006
Energy: 0.4958000002394258
Energy: 0.38155645050057396
Energy: 0.5203026056954505

minimum gb energy = 0.336794111000374 eV
minimum distance =  2.61268837071975 Angstroms
sigma value = 33


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

Energy: 0.6964409295391532
Energy: 0.7054694247979115
Energy: 0.705617387687218
Energy: 0.6888845400202458
Energy: 0.7054694247988476
Energy: 0.7056173876855923
Energy: 0.69644092953903
Energy: 0.7054694247955962
Energy: 0.7056173876842377
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Energy: 0.7084409578463761
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Energy: 0.7084409578467948
Energy: 0.6822678312035343
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Energy: 0.6683946647365359
Energy: 0.6859358688254747
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Energy: 0.6797175317792965
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Energy: 0.7163706198383082
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Energy: 0.668526694226447
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Energy: 0.6764490814569007
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Energy: 0.6685266942272597
Energy: 0.6949719773707024
Energy: 0.7035149834879735
Energy: 0.7119876074029351
Energy: 0.6949719773703082
Energy: 0.6984019153291909
Energy: 0.7119876073977871
Energy: 0.6949719773719341
Energy: 0.703514983484599
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Energy: 0.669844415504423

minimum gb energy = 0.6612955311405403 eV
minimum distance =  2.59164167429083 Angstroms
sigma value = 219


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

Energy: 0.940377842847412
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Energy: 0.9879460333215001
Energy: 0.9598045711905958
Energy: 0.959178590301418
Energy: 0.9879460333223967
Energy: 0.9598045711905958

minimum gb energy = 0.9362930220001355 eV
minimum distance =  2.57093788421571 Angstroms
sigma value = 15


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

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Energy: 1.0736351250039797
Energy: 1.108025093409693
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Energy: 1.079857302147097
Energy: 1.0801556893611743
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minimum gb energy = 1.0589447357187831 eV
minimum distance =  2.5565286520418 Angstroms
sigma value = 293


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

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Energy: 1.0859597190217407
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Energy: 1.062218645695416
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Energy: 1.1351708002730012
Energy: 1.0545065435560268
Energy: 1.1358958251957345
Energy: 1.0788451174747364
Energy: 1.0613587120352466
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Energy: 1.0788451174753442
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Energy: 1.1358958251961397
Energy: 1.078845117474939
Energy: 1.0613587120352466
Energy: 1.135895825196342
Energy: 1.0804487887280352
Energy: 1.107569306961616
Energy: 1.0537317435925861
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Energy: 1.053731743593599
Energy: 1.0804487887284402
Energy: 1.107569306960806
Energy: 1.0537317435929912
Energy: 1.0804487887292502
Energy: 1.0787886910707103
Energy: 1.053392963315284
Energy: 1.0535853968677726
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Energy: 1.0533929633154866
Energy: 1.0535853968683802
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Energy: 1.053392963315284
Energy: 1.0535853968681779
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Energy: 1.1053814093161451
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Energy: 1.108756173109926
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Energy: 1.0535028475402348
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Energy: 1.13058983944102
Energy: 1.0612049149661282
Energy: 1.0786717752235813
Energy: 1.1305898394398053
Energy: 1.0612049149665332
Energy: 1.0786717752229735
Energy: 1.13058983944021
Energy: 1.0612049149659257
Energy: 1.078671775223176
Energy: 1.1305898394398053
Energy: 1.0545059168006818
Energy: 1.1352442888212912
Energy: 1.0616803409080589
Energy: 1.0545059168018969
Energy: 1.1352442888227088
Energy: 1.0616803409070463
Energy: 1.0545059168010869
Energy: 1.1352442888212912
Energy: 1.0616803409076538
Energy: 1.0545059168016944
Energy: 1.0552767763511686
Energy: 1.085996519594895
Energy: 1.1066776805602523
Energy: 1.0552767763519784
Energy: 1.0859965195936798
Energy: 1.1066776805596448
Energy: 1.0552767763509658
Energy: 1.0859965195961099
Energy: 1.1066776805604548
Energy: 1.055276776351371
Energy: 1.1235128646669883
Energy: 1.0891954108237305
Energy: 1.089224749492252
Energy: 1.1235128646684063
Energy: 1.0891954108221102
Energy: 1.089224749492252
Energy: 1.1235128646682035
Energy: 1.0891954108225153
Energy: 1.0892247494924547
Energy: 1.1235128646686086
Energy: 1.0552697991639666
Energy: 1.1068018854716717
Energy: 1.0859597190211334
Energy: 1.0552697991643716
Energy: 1.1068018854718742
Energy: 1.0859597190217407
Energy: 1.055269799163764
Energy: 1.1068018854716717
Energy: 1.0859597190211334
Energy: 1.055269799164169
Energy: 1.0545065435558245
Energy: 1.0622186456956184
Energy: 1.135170800274824
Energy: 1.0545065435552168
Energy: 1.0622186456956184
Energy: 1.1351708002715837
Energy: 1.0545065435554195
Energy: 1.0622186456958207
Energy: 1.1351708002711784
Energy: 1.054506543555622
Energy: 1.1358958251961397
Energy: 1.0788451174753442
Energy: 1.061358712034639
Energy: 1.1358958251953295
Energy: 1.0788451174755467
Energy: 1.0613587120352466
Energy: 1.1358958251959372
Energy: 1.0788451174753442
Energy: 1.0613587120348416
Energy: 1.135895825195532
Energy: 1.0804487887290477
Energy: 1.1075693069601982
Energy: 1.0537317435931934
Energy: 1.080448788727833
Energy: 1.107569306961211
Energy: 1.053731743593396
Energy: 1.0804487887288454
Energy: 1.1075693069604007
Energy: 1.053731743593396
Energy: 1.0804487887282377

minimum gb energy = 1.053392963315284 eV
minimum distance =  2.51280095651557 Angstroms
sigma value = 293


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

Energy: 1.079045216775498
Energy: 1.081075081586113
Energy: 1.0811040636244096
Energy: 1.0790452167733018
Energy: 1.081075081586479
Energy: 1.0811040636233118
Energy: 1.0790452167773281
Energy: 1.0810750815835508
Energy: 1.0811040636203835
Energy: 1.0790452167758642
Energy: 1.080048509292006
Energy: 1.079123245355742
Energy: 1.0806637738216616
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Energy: 1.080048509330789
Energy: 1.0791232453572057
Energy: 1.080663773814341
Energy: 1.080048509279195
Energy: 1.0808755671471766
Energy: 1.080717337205697
Energy: 1.052313241289812
Energy: 1.0808755671497388
Energy: 1.080717337206429
Energy: 1.0523131968572255
Energy: 1.0808755671493728
Energy: 1.080717337206795
Energy: 1.0523131686395706
Energy: 1.0808755671486407
Energy: 1.0523497253846157
Energy: 1.0807489387847427
Energy: 1.0807162022945664
Energy: 1.0523497320990318
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Energy: 1.0810750815890413
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Energy: 1.0811040636192855
Energy: 1.0790452167733018
Energy: 1.081075081585747
Energy: 1.079123245355742
Energy: 1.080663773815805
Energy: 1.080048509279561
Energy: 1.0791232453564739
Energy: 1.080663773813975
Energy: 1.0800485092846854
Energy: 1.0791232453586699
Energy: 1.080663773813975
Energy: 1.0800485092953005
Energy: 1.079123245359036
Energy: 1.080717337205697
Energy: 1.0523131932786516
Energy: 1.0808755671533992
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Energy: 1.0523132071107009
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Energy: 1.0807489387916807
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Energy: 1.0807489387862068
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Energy: 1.080748938786573
Energy: 1.0807162022949324
Energy: 1.0523497292386783
Energy: 1.0807489387905826
Energy: 1.0788786329623345
Energy: 1.0801820636076866
Energy: 1.0806691638632717
Energy: 1.0788786329630666
Energy: 1.0801820636025623
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Energy: 1.0811040636192855
Energy: 1.079045216776596
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Energy: 1.0811040636211156
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Energy: 1.0790452167740339
Energy: 1.0810750815831849
Energy: 1.0811040636214817
Energy: 1.0806637738147071
Energy: 1.0800485092832213
Energy: 1.0791232453579378
Energy: 1.080663773812877
Energy: 1.080048509301889
Energy: 1.0791232453564739
Energy: 1.080663773813975
Energy: 1.0800485093004248
Energy: 1.0791232453568398
Energy: 1.0806637738165372
Energy: 1.0523133578103319
Energy: 1.0808755671482746
Energy: 1.080717337206063
Energy: 1.0523132171490497
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Energy: 1.0523131904241378
Energy: 1.0808755671486407
Energy: 1.0807173372049652
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Energy: 1.0807162022963965
Energy: 1.0523497232775718
Energy: 1.0807489387854747
Energy: 1.0807162022949324
Energy: 1.0523497287399937
Energy: 1.0807489387880371
Energy: 1.0807162022989585
Energy: 1.0801820636098831
Energy: 1.0806691638596115
Energy: 1.078878632965629
Energy: 1.0801820635930623
Energy: 1.0806691638650854
Energy: 1.0788786329627007
Energy: 1.0801820635956243
Energy: 1.0806691638636379
Energy: 1.0788786329623345
Energy: 1.0801820635934283
Energy: 1.0790452167744
Energy: 1.081075081584649
Energy: 1.0811040636214817
Energy: 1.079045216774766
Energy: 1.0810750815868448
Energy: 1.0811040636211156
Energy: 1.0790452167740339
Energy: 1.0810750815868448
Energy: 1.0811040636214817
Energy: 1.0790452167733018
Energy: 1.0800485093066474
Energy: 1.0791232453568398
Energy: 1.080663773813609
Energy: 1.0800485092839536
Energy: 1.0791232453583037
Energy: 1.080663773815439
Energy: 1.080048509289444
Energy: 1.0791232453583037
Energy: 1.080663773817269
Energy: 1.0800485092953005
Energy: 1.080875567151203
Energy: 1.080717337206429
Energy: 1.052313394289668
Energy: 1.0808755671486407
Energy: 1.0807173372053311
Energy: 1.0523133417951371
Energy: 1.0808755671471766
Energy: 1.080717337207893
Energy: 1.0523132182243338
Energy: 1.0808755671475425
Energy: 1.0523497246159161
Energy: 1.0807489387821807
Energy: 1.0807162022952983
Energy: 1.052349729484535
Energy: 1.080748938786573
Energy: 1.0807162022963965
Energy: 1.052349727555316
Energy: 1.080748938787305
Energy: 1.0807162022978607
Energy: 1.0523497293202533
Energy: 1.0806691638592456
Energy: 1.0788786329623345
Energy: 1.0801820635948922
Energy: 1.0806691638661834
Energy: 1.0788786329637987
Energy: 1.0801820635981865
Energy: 1.0806691638661834
Energy: 1.0788786329645308
Energy: 1.0801820635875716
Energy: 1.0806691638603434
Energy: 1.0810750815842831
Energy: 1.0811040636225797
Energy: 1.079045216776962
Energy: 1.0810750815872112
Energy: 1.0811040636225797
Energy: 1.079045216775498
Energy: 1.081075081585015
Energy: 1.0811040636207496
Energy: 1.079045216776596
Energy: 1.081075081585747
Energy: 1.079123245356108
Energy: 1.080663773815805
Energy: 1.0800485092905419
Energy: 1.0791232453572057
Energy: 1.0806637738176352
Energy: 1.0800485092839536
Energy: 1.079123245355742
Energy: 1.0806637738180012
Energy: 1.0800485092967644
Energy: 1.0791232453546602

minimum gb energy = 1.0523131686395706 eV
minimum distance =  2.59780338116168 Angstroms
sigma value = 15


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

Energy: 1.0632039772216288
Energy: 1.0544559856606561
Energy: 1.0569525465197496
Energy: 1.0394312211426602
Energy: 1.0544559856631601
Energy: 1.056952546533355
Energy: 1.0632039772184916
Energy: 1.0544559856664784
Energy: 1.056952546520232
Energy: 1.0394312211426602
Energy: 1.0801179668531502
Energy: 1.0260592530919064
Energy: 1.0241992272672118
Energy: 1.0801179668587912
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Energy: 1.020154906403766
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Energy: 1.089939313960856
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Energy: 1.0899393139590456
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Energy: 1.023704791623008
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Energy: 1.0161606394643912
Energy: 1.0049945190943053
Energy: 1.0143083791524252
Energy: 1.0161606394594134
Energy: 1.0049945190886638
Energy: 1.0143083791540843
Energy: 1.0161606394610727
Energy: 1.00499451909696
Energy: 1.0143083791494385
Energy: 1.0250441605384952
Energy: 1.038434936238353
Energy: 1.037445370967137
Energy: 1.025044160543292
Energy: 1.0384349362416714
Energy: 1.0374453709651459
Energy: 1.0250441605459468
Energy: 1.038434936240193
Energy: 1.037445370961194
Energy: 1.0250441605448002
Energy: 1.0254779961590286
Energy: 1.0345250625117608
Energy: 1.067487553720022
Energy: 1.025468551631469
Energy: 1.0345250625215652
Energy: 1.0674875537269606
Energy: 1.0254779961653337
Energy: 1.0345250625130882
Energy: 1.0674875537231594
Energy: 1.025468551610412
Energy: 1.0851880383151067
Energy: 1.0053090397879596
Energy: 1.0771804981367172
Energy: 1.0851880383202352
Energy: 1.005309039785124
Energy: 1.077180498137562
Energy: 1.0851880383137793
Energy: 1.0053090397899507
Energy: 1.0771804981377127
Energy: 1.085188038314111
Energy: 1.0207204287099445
Energy: 1.0356483345153176
Energy: 1.1523408787184026
Energy: 1.020720428715254
Energy: 1.0356483345240965
Energy: 1.1523408787144205
Energy: 1.0207204287114529
Energy: 1.0356483345239156
Energy: 1.15234087871792
Energy: 1.020720428713112
Energy: 1.108923879152158
Energy: 1.0077832067829067
Energy: 1.0110993193745605
Energy: 1.1070567426338498
Energy: 1.0077922211752453
Energy: 1.0110993193763707
Energy: 1.1089238791554765
Energy: 1.0077832067790755
Energy: 1.011099319375556
Energy: 1.1070567426321904
Energy: 1.0389331777238733
Energy: 1.0084909943842988
Energy: 1.0192455761249293
Energy: 1.0389331777299973
Energy: 1.008490994379653
Energy: 1.0192455761261057
Energy: 1.0389331777226967
Energy: 1.0084909943733782
Energy: 1.0192455761226065
Energy: 1.0389331777197102
Energy: 1.0329396939722828
Energy: 1.1207161149996545
Energy: 1.0255594273012483
Energy: 1.0329396939674558
Energy: 1.1207161149956726
Energy: 1.025375476195711
Energy: 1.0329396939694468
Energy: 1.120716114997
Energy: 1.0255594272987445
Energy: 1.0329396939774111
Energy: 1.0068754807489015
Energy: 1.0376777565166373
Energy: 1.0185238072856582
Energy: 1.0068754807485696
Energy: 1.0376777565128361
Energy: 1.018523807283486
Energy: 1.006875480749867
Energy: 1.0376777565177835
Energy: 1.0185238072846627
Energy: 1.0068754807482378
Energy: 1.0363121308935297
Energy: 1.006533762904358
Energy: 1.0075791016837603
Energy: 1.03643635042574
Energy: 1.0065337629078575
Energy: 1.007579101680623
Energy: 1.0363121308892156
Energy: 1.006533762909004
Energy: 1.0075791016875917
Energy: 1.0364363504300536
Energy: 1.036068159801039
Energy: 1.0210583515273628
Energy: 1.0718347534680024
Energy: 1.0367729943534134
Energy: 1.0210583515227167
Energy: 1.1404905425592307
Energy: 1.0360681598113262
Energy: 1.0210583515237124
Energy: 1.0718347534744581
Energy: 1.036772994350427
Energy: 1.0054571046534084
Energy: 1.1005652520445215
Energy: 1.0384613679269594
Energy: 1.0054571046570586
Energy: 1.1005652520451852
Energy: 1.0384613679204735
Energy: 1.0054571046492453
Energy: 1.100565252045336
Energy: 1.0384613679198098
Energy: 1.0054571046474352
Energy: 1.0499317281913454
Energy: 1.0267818412053986
Energy: 1.1248325571740878
Energy: 1.0499317281875444
Energy: 1.0267818412126992
Energy: 1.1248325571817201
Energy: 1.0499317281868807
Energy: 1.0267818412113718
Energy: 1.1248325571828666
Energy: 1.0499317281910137
Energy: 1.0391200654534045
Energy: 1.019534925092933
Energy: 1.0054595470414789
Energy: 1.0391200654527408
Energy: 1.01953492508696
Energy: 1.0053094939518148
Energy: 1.0391200654529218
Energy: 1.0195349250791466
Energy: 1.0054595470466374
Energy: 1.0391200654497543
Energy: 1.0442201178817125
Energy: 1.0897331168358748
Energy: 1.0073376547502018
Energy: 1.0442201178732657
Energy: 1.0897331168430244
Energy: 1.0073376547511972
Energy: 1.044220117870792
Energy: 1.0897331168433562
Energy: 1.0073376547597952
Energy: 1.0442201178779116
Energy: 1.021723985325078
Energy: 1.1510266602807167
Energy: 1.035737363691527
Energy: 1.021723985335365
Energy: 1.1510266602805357
Energy: 1.0357373636961729
Energy: 1.021723985335546
Energy: 1.1510266602782429
Energy: 1.0357373636943328
Energy: 1.021723985331051
Energy: 1.1628463886558509
Energy: 1.0583870181312343
Energy: 1.0066691287322291
Energy: 1.1628463886571783
Energy: 1.0583870181245973
Energy: 1.0066691287317464
Energy: 1.1628463886573293
Energy: 1.0583870181292432
Energy: 1.0066691287317464
Energy: 1.1628463886573293
Energy: 1.0231472922999671
Energy: 1.0602027357586896
Energy: 1.0394840490097421
Energy: 1.0231472923047635
Energy: 1.0602027357538628
Energy: 1.0394840490102248
Energy: 1.0231472923031044
Energy: 1.0602027357566983
Energy: 1.0394840490127286
Energy: 1.023147292304281
Energy: 1.0193034906944614
Energy: 1.0376778326666811
Energy: 1.0392041849193
Energy: 1.0193034907007665
Energy: 1.0376778326721414
Energy: 1.039204184921291
Energy: 1.0193034906962715
Energy: 1.037677832670482
Energy: 1.0392041849168263
Energy: 1.0193034906966034
Energy: 1.0595389460186657
Energy: 1.0045424386504969
Energy: 1.0559988659794
Energy: 1.059538946016192
Energy: 1.0045424386506476
Energy: 1.0559988659780728
Energy: 1.0595389460165239
Energy: 1.0045424386493202
Energy: 1.0559988659798827
Energy: 1.0595389460185147
Energy: 1.0247713723267764
Energy: 1.1228135085495734
Energy: 1.0248434252761969
Energy: 1.0247713723281038
Energy: 1.1228135085314728
Energy: 1.024843425275865
Energy: 1.0247713723206222
Energy: 1.1228135085372952
Energy: 1.0248434252704048
Energy: 1.0247713723259317
Energy: 1.052154322753298
Energy: 1.007081299969459
Energy: 1.0356538291900068
Energy: 1.0521543227567975
Energy: 1.0070808609443136
Energy: 1.0356538291946527
Energy: 1.0521543227564656
Energy: 1.0070812999689762
Energy: 1.035653829196493
Energy: 1.0521543227564656
Energy: 1.038254215873339
Energy: 1.0222695755358095
Energy: 1.019183807291393
Energy: 1.0382542158696886
Energy: 1.0222695755417825
Energy: 1.019183807297547
Energy: 1.0382542158653747
Energy: 1.0222695755426274
Energy: 1.0191838073000208
Energy: 1.0382542158703523
Energy: 1.106196291171591
Energy: 1.041833710508277
Energy: 1.0217277423768698
Energy: 1.1061962911679404
Energy: 1.0418337105021227
Energy: 1.0217296639788584
Energy: 1.106196291168936
Energy: 1.041833710506618
Energy: 1.0217277423728877
Energy: 1.1061962911724055
Energy: 1.0066488660436133
Energy: 1.0364164443681159
Energy: 1.1295424598266353
Energy: 1.00664886603945
Energy: 1.036416444369262
Energy: 1.1295424598271178
Energy: 1.0066488660444277
Energy: 1.036416444371585
Energy: 1.1295424598340864
Energy: 1.0066488660552275
Energy: 1.0353104498332113
Energy: 1.0073563243446062
Energy: 1.0208597859898958
Energy: 1.0353104498302248
Energy: 1.0073563243454509
Energy: 1.0208597859925506
Energy: 1.03531044982938
Energy: 1.0073563243436108
Energy: 1.0208597859963517
Energy: 1.0353104498298928

minimum gb energy = 1.004290519014925 eV
minimum distance =  2.51975117988838 Angstroms
sigma value = 437


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

Energy: 0.9298444494613847
Energy: 1.0496098588885945
Energy: 1.049528321831316
Energy: 0.9298444494595713
Energy: 1.0496098588885945
Energy: 1.0495283218276892
Energy: 0.9298444494619893
Energy: 1.0496098588891989
Energy: 1.0495283218307114
Energy: 0.9298444494589667
Energy: 0.9674433274265195
Energy: 0.9069191220106413
Energy: 0.9128264420304902
Energy: 0.967443327427124
Energy: 0.9069191220118502
Energy: 0.9128264420292813
Energy: 0.9674433274253106
Energy: 0.9069191220106413
Energy: 0.9128264420304902
Energy: 0.9674433274265195
Energy: 0.900479594963088
Energy: 0.8995958706757781
Energy: 0.9019932744269379
Energy: 0.9004795949552298
Energy: 0.8995958706757781
Energy: 0.9019932652882262
Energy: 0.9004795949667149
Energy: 0.8995958706757781
Energy: 0.9019907948166397
Energy: 0.9004795949691329
Energy: 0.9179190785013566
Energy: 0.9679110702474633
Energy: 0.9186590080857086
Energy: 0.9179190785037745
Energy: 0.9679110702486722
Energy: 0.9186590080881264
Energy: 0.9179190785037745
Energy: 0.9679110702474633
Energy: 0.9186590080869174
Energy: 0.9179190785061924
Energy: 1.0474743653347853
Energy: 0.9148771883543078
Energy: 1.148922760356877
Energy: 1.0474743653347853
Energy: 0.9148771883549124
Energy: 1.1489227603574814
Energy: 1.0474743653347853
Energy: 0.9148771883543078
Energy: 1.1489227603562724
Energy: 1.0474743653365992
Energy: 0.9206644389980378
Energy: 0.9726411992103622
Energy: 0.9068145792137849
Energy: 0.9206644389998512
Energy: 0.9726411992097579
Energy: 0.9068145792131805
Energy: 0.9206644389980378
Energy: 0.9726411992115712
Energy: 0.9068145792137849
Energy: 0.9206644389992467
Energy: 0.9673459270621825
Energy: 0.928064976620185
Energy: 0.9001584010163707
Energy: 0.9673459270960333
Energy: 0.9280649766171627
Energy: 0.9001584010145571
Energy: 0.9673459270809214
Energy: 0.9206353704999103
Energy: 0.900158401016975
Energy: 0.9673459270694362
Energy: 0.9089625647658236
Energy: 1.0732965937703565
Energy: 0.9119287126661157
Energy: 0.9089625647646146
Energy: 1.0732965937715655
Energy: 0.9119287126643022
Energy: 0.9089625647658236
Energy: 1.0732965937727745
Energy: 0.9119287126655113
Energy: 0.9089625647646146
Energy: 1.045885907917056
Energy: 0.915431138775982
Energy: 0.9151833854569181
Energy: 1.0458859079146379
Energy: 0.9154311387753774
Energy: 0.9151833854575226
Energy: 1.0458859079206828
Energy: 0.9154311387765863
Energy: 0.9151833854563137
Energy: 1.0458859079146379
Energy: 0.9750275966451161
Energy: 0.9853551695913221
Energy: 1.0115258943338514
Energy: 0.9750275966451161
Energy: 0.9853551695943444
Energy: 1.011525894334456
Energy: 0.9750275966445114
Energy: 0.9853551695882996
Energy: 1.0115258943368741
Energy: 0.9750275966457205
Energy: 0.8997944486584887
Energy: 0.8996964277893282
Energy: 0.9433666224238
Energy: 0.8997944486536529
Energy: 0.8996964277887239
Energy: 0.943366622422591
Energy: 0.8997944486572798
Energy: 0.8996964277899328
Energy: 0.9433666224231956
Energy: 0.8997944486530485
Energy: 0.985791027446658
Energy: 0.9061855627980722
Energy: 1.0161783489312397
Energy: 0.985791027447867
Energy: 0.90618556280049
Energy: 1.016178348930058
Energy: 0.9857910274460536
Energy: 0.9061855627980722
Energy: 1.0161783489312397
Energy: 0.985791027447867
Energy: 0.9152424339469794
Energy: 1.166625907860087
Energy: 0.9151167312946427
Energy: 0.9152424339463748
Energy: 1.166625907858301
Energy: 0.915116731297665
Energy: 0.9152424339469794
Energy: 1.16662590785951
Energy: 0.9151167312952471
Energy: 0.9152424339469794
Energy: 0.9191166599930402
Energy: 0.9063290653037168
Energy: 0.967575041082357
Energy: 0.919116659991831
Energy: 0.9063290653049257
Energy: 0.9675750410805711
Energy: 0.9191166599906222
Energy: 0.9063290653031123
Energy: 0.9675750410835661
Energy: 0.9191166599906222

minimum gb energy = 0.8995958706757781 eV
minimum distance =  2.52664794214602 Angstroms
sigma value = 33