Model name: model_name=MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999997019768
cohesive_energy=3.3532637301406303
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.012659731110413314
Energy: 0.3525718368180963
Energy: 0.29772130636793476
Energy: 0.35239016976476667
Energy: 0.012659731110617323
Energy: 0.3525718368178923
Energy: 0.29772130636793476
Energy: 0.5363880312100714
Energy: 0.017855910801867672
Energy: 0.10308631480076039
Energy: 0.017840313351239697
Energy: 0.5363880312100714
Energy: 0.01785591080286504
Energy: 0.10308631480116841
Energy: 0.012659731110413314
Energy: 0.3525718368178923
Energy: 0.29772130636752675
Energy: 0.35239016976476667
Energy: 0.012659731110413314
Energy: 0.35257183681768833
Energy: 0.29772130636813876
Energy: 0.5363880312098673
Energy: 0.017855910801867672
Energy: 0.10308631480055638
Energy: 0.017840313351443707
Energy: 0.5363880312098673
Energy: 0.01785591080286504
Energy: 0.10308631480137243
Energy: 0.012659731110413314
Energy: 0.3525718368178923
Energy: 0.29772130636793476
Energy: 0.35239016976456267
Energy: 0.012659731110413314
Energy: 0.3525718368178923
Energy: 0.29772130636813876
Energy: 0.5363880312100714
Energy: 0.01785591080166366
Energy: 0.10308631480076039
Energy: 0.017840313351443707
Energy: 0.5363880312098673
Energy: 0.01785591080306905
Energy: 0.10308631480116841

minimum gb energy = 0.012659731110413314 eV
minimum distance =  2.83326948373733 Angstroms
sigma value = 5


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

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Energy: 0.8288097988629144
Energy: 0.8363562441581308
Energy: 0.858141693794666
Energy: 0.8030792905137802
Energy: 0.8288097906052463
Energy: 0.8219080160720499
Energy: 0.7728597752377024
Energy: 0.8005382186788548
Energy: 0.830570095316993
Energy: 0.846605167027781
Energy: 0.7728597752328284
Energy: 0.8005382236578165
Energy: 0.8305700953194299
Energy: 0.7753092700727392
Energy: 0.7915745977461142
Energy: 0.8401985882708181
Energy: 0.8039893896644557
Energy: 0.7753092700727392
Energy: 0.7915745977412402
Energy: 0.840198588268381
Energy: 0.8245036379694854
Energy: 0.7886348690272462
Energy: 0.839416938908542
Energy: 0.8303481918485422
Energy: 0.8245058881428489
Energy: 0.7882007592266708
Energy: 0.8394169389061049
Energy: 0.8006776662785734
Energy: 0.7534305619323831
Energy: 0.9039173114555762
Energy: 0.7820682875447222
Energy: 0.8006776662785734
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Energy: 0.8089880381018857
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Energy: 0.7526865886587734
Energy: 0.8592778721849412
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Energy: 0.8126979719813171
Energy: 0.7526865886612104
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Energy: 0.8749637159141826
Energy: 0.8225287430276271
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Energy: 0.7840497563631043
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Energy: 0.7936055869782768
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Energy: 0.8111770806480129
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Energy: 0.8627132396233129
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Energy: 0.7916333099818068
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Energy: 0.7909011177666898
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Energy: 0.7980558779717177
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Energy: 0.8220479149234841
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Energy: 0.7946314353863265
Energy: 0.7610004463562102
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Energy: 0.802536922243404
Energy: 0.8335920226077399
Energy: 0.783631070801846
Energy: 0.8164427324250595
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Energy: 0.8335920226126138
Energy: 0.855108763660645
Energy: 0.8228220080195005
Energy: 0.8360606710746358
Energy: 0.829495480057675
Energy: 0.8551087636533341
Energy: 0.8228220080170634
Energy: 0.8360606710721987
Energy: 0.7815889491816856
Energy: 0.7971178657187382
Energy: 0.8552315780231078
Energy: 0.8560814480624624
Energy: 0.7815889491768117
Energy: 0.7971178657187382
Energy: 0.8527411973476332
Energy: 0.7757681187888407
Energy: 0.8109387115530691
Energy: 0.887779563608231
Energy: 0.8184377318238804
Energy: 0.7757681187888407
Energy: 0.8109387115530691
Energy: 0.887779563608231
Energy: 0.7719471742829549
Energy: 0.8430009485556906
Energy: 0.8840574901662311
Energy: 0.8590754849625389
Energy: 0.7719471742805624
Energy: 0.8430009485532536
Energy: 0.8840574956031226
Energy: 0.7722326783264516
Energy: 0.7918310074960079
Energy: 0.8700527866546243
Energy: 0.7545623991672998
Energy: 0.7722326783313256
Energy: 0.7918310074423943
Energy: 0.8700527866546243

minimum gb energy = 0.7526865886587734 eV
minimum distance =  2.02408033461239 Angstroms
sigma value = 401


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

Energy: 0.7863526442402355
Energy: 0.863843198443347
Energy: 0.8350471372262557
Energy: 0.8630218031663092
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Energy: 0.7765305656210733
Energy: 0.7987874780499692
Energy: 0.8573182518467363
Energy: 0.8014103658308541
Energy: 0.776530403700898
Energy: 0.7987874780519307
Energy: 0.8573182529698722
Energy: 0.7802149397645924
Energy: 0.7813021156121469
Energy: 0.9203387118601567
Energy: 0.8064782327281079
Energy: 0.7802149397648438
Energy: 0.7813021156151647
Energy: 0.9203387118590501
Energy: 0.7684299363570456
Energy: 0.7696596282591509
Energy: 0.8461941022828049
Energy: 0.7674751438665497
Energy: 0.7684299363584036
Energy: 0.7696596344500032
Energy: 0.8461941190160259
Energy: 0.8134528504810249
Energy: 0.7986912491895127
Energy: 0.8181045476355002
Energy: 0.7674580435103701
Energy: 0.813452851225088
Energy: 0.7977968028233834
Energy: 0.8181038975346078
Energy: 0.850044092246275
Energy: 0.8211972359676927
Energy: 0.8222478092942483
Energy: 0.7673734160653939
Energy: 0.8500440922479346
Energy: 0.8211972356842807
Energy: 0.8222478092925886
Energy: 0.782302010956547
Energy: 0.8065413303292646
Energy: 0.8222975208826181
Energy: 0.7758793159090702
Energy: 0.782302010957905
Energy: 0.8065413303298178
Energy: 0.8222975208809585
Energy: 0.7518880410514461
Energy: 0.8058088845397507
Energy: 0.8236339222451192
Energy: 0.8270153440478822
Energy: 0.7518880410525527
Energy: 0.8058088845449815
Energy: 0.8236339222417998
Energy: 0.7469163285990873
Energy: 0.863843192078072
Energy: 0.8173952501395987
Energy: 0.8630218026865458
Energy: 0.7469163285968744
Energy: 0.8638431920410046
Energy: 0.8173952501387939
Energy: 0.7502340121886928
Energy: 0.7545301359877602
Energy: 0.823095715953688
Energy: 0.8270788270406163
Energy: 0.7502340121875861
Energy: 0.7545301359846922
Energy: 0.8230957159544927

minimum gb energy = 0.7469163285968744 eV
minimum distance =  2.36770141671996 Angstroms
sigma value = 311


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

Energy: 0.8492267534729127
Energy: 0.8045656682360779
Energy: 0.896540109576082
Energy: 0.8390439136448831
Energy: 0.8492267534722739
Energy: 0.8045656682360779
Energy: 0.8781189747141727
Energy: 0.8461934981481022
Energy: 0.8354321721238663
Energy: 0.8685089150004762
Energy: 0.8337815356703256
Energy: 0.8461934976184241
Energy: 0.8354321721257829
Energy: 0.8685089149998374
Energy: 0.807122035566105
Energy: 0.7962825643001127
Energy: 0.9031770269418614
Energy: 0.814157193865513
Energy: 0.807122035566105
Energy: 0.7962825643004322
Energy: 0.9031770268757715
Energy: 0.8345224865228523
Energy: 0.7991813350077814
Energy: 0.8621802672138577
Energy: 0.7982556853020533
Energy: 0.8345224865234911
Energy: 0.7991813350087398
Energy: 0.8621802672138577
Energy: 0.8546102224271636
Energy: 0.8199774812036322
Energy: 0.9822142782360089
Energy: 0.8124535606140687
Energy: 0.8546102224268443
Energy: 0.8199774812036322
Energy: 0.9822142782318565
Energy: 0.8234902307136482
Energy: 0.8266503178925202
Energy: 0.8426327219828312
Energy: 0.819081860138235
Energy: 0.8234902307152452
Energy: 0.8266503178925202
Energy: 0.8426327219834701
Energy: 0.7860681365849478
Energy: 0.8700532365259183
Energy: 0.8329354125290716
Energy: 0.8034185875144805
Energy: 0.7860681365712273
Energy: 0.8700531099660755
Energy: 0.8733754466598569
Energy: 0.8173946407397928
Energy: 0.8075118827626976
Energy: 0.9186360615346066
Energy: 0.8160632917678561
Energy: 0.8173946407056298
Energy: 0.8075118827626976
Energy: 0.9186018180209724
Energy: 0.8055806141080625
Energy: 0.791296742017485
Energy: 0.8798026724852804
Energy: 0.8026350930315179
Energy: 0.8055806141083819
Energy: 0.7912967420168463
Energy: 0.8798026724855998
Energy: 0.787270363005847
Energy: 0.8227887735886708
Energy: 0.8670707637317112
Energy: 0.8523390972421345
Energy: 0.7872703631405824
Energy: 0.8227887735893095
Energy: 0.8625376547997124
Energy: 0.8264091352311586
Energy: 0.7925173548843463
Energy: 0.8592841955854125
Energy: 0.7901626334638159
Energy: 0.8264091364772862
Energy: 0.7920684620026923
Energy: 0.859284195585093
Energy: 0.8227129367719089
Energy: 0.8335299478001018
Energy: 0.8786439497025538
Energy: 0.8228077765319163
Energy: 0.8227129367712702
Energy: 0.8335299478007405
Energy: 0.8786450035782463
Energy: 0.820977509390127
Energy: 0.8272288620973384
Energy: 0.8633663810572847
Energy: 0.8004984447374887
Energy: 0.8209775093930017
Energy: 0.8272288620692589
Energy: 0.863366381057604
Energy: 0.7860574023574477
Energy: 0.7998842716628972
Energy: 0.8634262548837154
Energy: 0.8190235320576785
Energy: 0.7860574023577671
Energy: 0.7998842716628972
Energy: 0.8634262548840347
Energy: 0.8198892303798357
Energy: 0.7998817498552957
Energy: 0.8757726915610093
Energy: 0.8281416896207072
Energy: 0.8198892303795162
Energy: 0.7998817496072259
Energy: 0.8757726915616483
Energy: 0.8160345410332693
Energy: 0.8230849616033231
Energy: 0.8774283695150473
Energy: 0.8246942699381284
Energy: 0.8160345396300619
Energy: 0.8230849616046007
Energy: 0.8774283695172833
Energy: 0.7982756176296992
Energy: 0.8534799253018012
Energy: 0.8691137519245511
Energy: 0.8124660967846401
Energy: 0.7982756176351292
Energy: 0.8534799253008429
Energy: 0.8691137519242316
Energy: 0.7879516392195876
Energy: 0.8661928332449501
Energy: 0.926559526999679
Energy: 0.8171063832446093
Energy: 0.7879516392336274
Energy: 0.8661928326255596
Energy: 0.9265595270213847
Energy: 0.8026762146994598
Energy: 0.8238760504236403
Energy: 0.8903916496550228
Energy: 0.8700675535363784
Energy: 0.8026762146994598
Energy: 0.8238760504143773
Energy: 0.8903916496553422
Energy: 0.8298295765652688
Energy: 0.7917136199820091
Energy: 0.8920004778009673
Energy: 0.8010321067603471
Energy: 0.8298295765659076
Energy: 0.7917136199826479
Energy: 0.8920004778006478
Energy: 0.7911794847248976
Energy: 0.7972589838237013
Energy: 0.8619175391490023
Energy: 0.8577992278956493
Energy: 0.7911794847242588
Energy: 0.7972589838677662
Energy: 0.861917539148683
Energy: 0.812044636013113
Energy: 0.8058949434093376
Energy: 0.8491777018902138
Energy: 0.7817796732407283
Energy: 0.8120445620012833
Energy: 0.8058949432643809
Energy: 0.8491777018902138
Energy: 0.8045761727841084
Energy: 0.8307812358201904
Energy: 0.8813402567838784
Energy: 0.8341753460646288
Energy: 0.8045761727595281
Energy: 0.8307812358205098
Energy: 0.8813720655832348
Energy: 0.830275732339393
Energy: 0.8465661704111898
Energy: 0.8625593363976414
Energy: 0.7930553574498198
Energy: 0.830275732280969
Energy: 0.8465661704115093
Energy: 0.8625593367750166
Energy: 0.8111775883052738
Energy: 0.8061649013437255
Energy: 0.9091127409980216
Energy: 0.7894601865170188
Energy: 0.8111775883055931
Energy: 0.806164901344045
Energy: 0.9091127410631534
Energy: 0.8426922743350189
Energy: 0.8159776301167124
Energy: 0.8681281160274539
Energy: 0.8513940386620651
Energy: 0.8419883465120224
Energy: 0.81597763340077
Energy: 0.868128116028412
Energy: 0.8686345570745122
Energy: 0.8125601069054944
Energy: 0.8802976929779794
Energy: 0.8243728742614711
Energy: 0.8686345570748316
Energy: 0.812560106905175
Energy: 0.8677820542751921
Energy: 0.8292219019238023
Energy: 0.8662711281756977
Energy: 0.8623615236129631
Energy: 0.8817858675797418
Energy: 0.8292219019244411
Energy: 0.8662711281760173
Energy: 0.8623615236129631
Energy: 0.8126553761489138
Energy: 0.8207829407865903
Energy: 0.9017251613678428
Energy: 0.7980358190730351
Energy: 0.8126553761482749
Energy: 0.8207829407865903
Energy: 0.9065627406793204
Energy: 0.8424424536504778
Energy: 0.8162177957815175
Energy: 0.8571310179265015
Energy: 0.8123085167173145
Energy: 0.8424424536507972
Energy: 0.8162177966489924
Energy: 0.8571310179271403
Energy: 0.8275178268458833
Energy: 0.8137473106144676
Energy: 0.9167263183689446
Energy: 0.7892021819646796
Energy: 0.8275178268490775
Energy: 0.81374731061862
Energy: 0.9111319763799107
Energy: 0.7988819212052183
Energy: 0.7895053411571473
Energy: 0.8590262546566206
Energy: 0.8332985821283173
Energy: 0.7988819208482714
Energy: 0.7895053411574668
Energy: 0.85902625465694
Energy: 0.7968425889868657
Energy: 0.8708383628021086
Energy: 0.8238534292817158
Energy: 0.8042592639850045
Energy: 0.7968425889868657
Energy: 0.8708397998029094
Energy: 0.8237605769920332
Energy: 0.8059245202245691
Energy: 0.8427728016197458
Energy: 0.9515786826158319
Energy: 0.8266201057940957
Energy: 0.8059245202239304
Energy: 0.8427728016222865
Energy: 0.9515786826193454
Energy: 0.8046777011967393
Energy: 0.8216449933275687
Energy: 0.9015211258973764
Energy: 0.8183875891882387
Energy: 0.8046777011967393
Energy: 0.82164499332693
Energy: 0.9245588224685194
Energy: 0.7843562114589323
Energy: 0.8178044476258731
Energy: 0.8732591913275374
Energy: 0.8623296150775646
Energy: 0.7843562075941191
Energy: 0.8178044476268314
Energy: 0.8732581752232105

minimum gb energy = 0.7817796732407283 eV
minimum distance =  1.98042044848652 Angstroms
sigma value = 39


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

Energy: 0.7926520613849241
Energy: 0.7989998789386608
Energy: 0.8433336383573908
Energy: 0.7990229810801649
Energy: 0.7926520613837931
Energy: 0.7989998789394147
Energy: 0.8126024598790608
Energy: 0.7853550080014864
Energy: 0.8044814696774224
Energy: 0.7779421015924346
Energy: 0.8048725805731002
Energy: 0.7853550080014864
Energy: 0.8044814696789303
Energy: 0.7779421015920577
Energy: 0.7923348130891262
Energy: 0.7465173650437841
Energy: 0.8555921504124261
Energy: 0.7704170766058881
Energy: 0.7923348130879954
Energy: 0.746517365043407
Energy: 0.855592150415065
Energy: 0.790808163658784
Energy: 0.8044529677838832
Energy: 0.7945780361465732
Energy: 0.8167305985105804
Energy: 0.790808163658407
Energy: 0.8044529677842601
Energy: 0.7945780361465732
Energy: 0.8072860113912493
Energy: 0.7692534226714862
Energy: 0.8371247462657291
Energy: 0.7699847909894204
Energy: 0.8072860113931
Energy: 0.7692534226729941
Energy: 0.8371247462649751
Energy: 0.7906765450074877
Energy: 0.7907367129239092
Energy: 0.7978045077795546
Energy: 0.8273657773894123
Energy: 0.7906765450078649
Energy: 0.7907367129227783
Energy: 0.7978045077803085
Energy: 0.785832413976431
Energy: 0.7693660309592141
Energy: 0.7834053089727284
Energy: 0.769089422489555
Energy: 0.7858324139779388
Energy: 0.7693660309580832
Energy: 0.7834053089719744
Energy: 0.7906964441597643
Energy: 0.7802130776331773
Energy: 0.7975718769486989
Energy: 0.7802248777884184
Energy: 0.790696444161272
Energy: 0.7802130776339312
Energy: 0.7975718769505836
Energy: 0.7718495179811776
Energy: 0.7690752003160044
Energy: 0.8194428907271116
Energy: 0.7694308384627466
Energy: 0.7718495179804238
Energy: 0.7690752003163814
Energy: 0.8047404361362436
Energy: 0.790703898509839
Energy: 0.8272192622550912
Energy: 0.7978333732846062
Energy: 0.7909082376912423
Energy: 0.7907038985072005
Energy: 0.8272192622550912
Energy: 0.7978333732872451
Energy: 0.8098261057938992
Energy: 0.7700858377540327
Energy: 0.9115406768649009
Energy: 0.7691396215247079
Energy: 0.8098261057938992
Energy: 0.7700858377547867
Energy: 0.9062043006830038
Energy: 0.790796419226977
Energy: 0.8170738436541019
Energy: 0.7944808916179654
Energy: 0.8044217818750262
Energy: 0.7907964192266
Energy: 0.8170738436529709
Energy: 0.7944808916187194
Energy: 0.7926254326273472
Energy: 0.770025506679974
Energy: 0.9310975864849466
Energy: 0.7465258458347014
Energy: 0.7926254326254624
Energy: 0.770025506679974
Energy: 0.8862184036700342
Energy: 0.7853512004117551
Energy: 0.8049171794845569
Energy: 0.7781102143564796
Energy: 0.8045053335750166
Energy: 0.7853512004106242
Energy: 0.804917179482672
Energy: 0.7781102143561027
Energy: 0.7926520613849241
Energy: 0.7989998789390378
Energy: 0.8298926104177434
Energy: 0.7990229810801649
Energy: 0.7926520613841702
Energy: 0.7989998789394147
Energy: 0.8126024598798147
Energy: 0.7853550080018633
Energy: 0.8044814696774224
Energy: 0.7779421015924346
Energy: 0.8048725805727233
Energy: 0.7853550080014864
Energy: 0.8044814696789303
Energy: 0.7779421015916808
Energy: 0.7923348130895033
Energy: 0.7465173650437841
Energy: 0.8555921504056406
Energy: 0.7704170766055454
Energy: 0.7923348130883723
Energy: 0.7465173650437841
Energy: 0.8555921504116721
Energy: 0.7908081636591611
Energy: 0.8044529677842601
Energy: 0.7945780361461962
Energy: 0.8167305985109574
Energy: 0.790808163658407
Energy: 0.8044529677846372
Energy: 0.7945780361461962
Energy: 0.8072860113908723
Energy: 0.7692534226718631
Energy: 0.8371247462657291
Energy: 0.7699847909890434
Energy: 0.8072860113927571
Energy: 0.7692534226741251
Energy: 0.8371247462653522
Energy: 0.7906765450067339
Energy: 0.7907367129231553
Energy: 0.7978045077791776
Energy: 0.8273657773894123
Energy: 0.7906765450071108
Energy: 0.7907367129227783
Energy: 0.7978045077803085
Energy: 0.785832413976431
Energy: 0.7693660309584601
Energy: 0.7635992582652569
Energy: 0.769089422489932
Energy: 0.7858324139790696
Energy: 0.7693660309580832
Energy: 0.7635992582656339
Energy: 0.7906964441593873
Energy: 0.7802130776331773
Energy: 0.7975718769490758
Energy: 0.7802248777887955
Energy: 0.7906964441605181
Energy: 0.7802130776335543
Energy: 0.7975718769513377
Energy: 0.7718495179819316
Energy: 0.7690752003156275
Energy: 0.8047404361343587
Energy: 0.7694308384616156
Energy: 0.7718495179804238
Energy: 0.7690752003156275
Energy: 0.8047404361366206
Energy: 0.7907038985105932
Energy: 0.8272192622550912
Energy: 0.7978333732846062
Energy: 0.7909082376916192
Energy: 0.7907038985075774
Energy: 0.8272192622554683
Energy: 0.7978333732868681
Energy: 0.8098261057931452
Energy: 0.7700858377540327
Energy: 0.8568603490727148
Energy: 0.7691396215250849
Energy: 0.8098261057935223
Energy: 0.7700858377547867
Energy: 0.8565364500462926
Energy: 0.790796419226977
Energy: 0.8170738436537248
Energy: 0.7944808916172116
Energy: 0.8044217818750262
Energy: 0.790796419226977
Energy: 0.8170738436533479
Energy: 0.7944808916194732
Energy: 0.7926254326273472
Energy: 0.770025506680728
Energy: 0.8434087879843882
Energy: 0.7465258458343245
Energy: 0.7926254326258394
Energy: 0.7700255066803509
Energy: 0.8434087880665339
Energy: 0.785351200412132
Energy: 0.804917179483803
Energy: 0.7781102143564796
Energy: 0.8045053335746396
Energy: 0.7853512004110011
Energy: 0.804917179482672
Energy: 0.7781102143561027
Energy: 0.7926520613845471
Energy: 0.7989998789394147
Energy: 0.8126024598779298
Energy: 0.7990229810797881
Energy: 0.7926520613837931
Energy: 0.7989998789394147
Energy: 0.8126024598783067
Energy: 0.7853550080014864
Energy: 0.8044814696774224
Energy: 0.7779421015931887
Energy: 0.8048725805731002
Energy: 0.7853550080018633
Energy: 0.8044814696789303
Energy: 0.7779421015931887

minimum gb energy = 0.746517365043407 eV
minimum distance =  2.43391839138951 Angstroms
sigma value = 21


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

Energy: 0.8699352125413166
Energy: 0.8616981437091714
Energy: 0.8203954868325231
Energy: 0.8681773513861972
Energy: 0.8699352125417743
Energy: 0.8616981437087137
Energy: 0.7945194301032216
Energy: 0.8561265827172347
Energy: 0.8052219666010626
Energy: 0.7775764930956447
Energy: 0.8575782052031029
Energy: 0.8561265827172347
Energy: 0.805221966600605
Energy: 0.7775764930956447
Energy: 0.8258413496372663
Energy: 0.8618142885744798
Energy: 0.8594083601934672
Energy: 0.8195726197232089
Energy: 0.8258413496368087
Energy: 0.8618142885744798
Energy: 0.8594102995614322
Energy: 0.844574111155583
Energy: 0.8115596371391438
Energy: 0.8947955705609316
Energy: 0.8091373400190617
Energy: 0.8445741111564983
Energy: 0.8115596371391438
Energy: 0.8947955705618469
Energy: 0.8403192692168623
Energy: 0.844576649464514
Energy: 0.7938822503872786
Energy: 0.8110582488172632
Energy: 0.8403192692164048
Energy: 0.8419273590326584
Energy: 0.7938822503872786
Energy: 0.8288614271340002
Energy: 0.8384669268726549
Energy: 0.8600774820305941
Energy: 0.796320167661145
Energy: 0.8288614271335425
Energy: 0.8384669268721973
Energy: 0.860077486470804
Energy: 0.854872497055537
Energy: 0.8610517789578078
Energy: 0.8091741539536066
Energy: 0.8032904818840209
Energy: 0.8548724970564523
Energy: 0.8610517788933033
Energy: 0.8091741806173098
Energy: 0.82689212885765
Energy: 0.8398678856535009
Energy: 0.8846856555276378
Energy: 0.8200384927777017
Energy: 0.82689212885765
Energy: 0.8398678863474092
Energy: 0.8846856555262649
Energy: 0.8351967068525039
Energy: 0.81337000918271
Energy: 0.8373297109894807
Energy: 0.8303199117199848
Energy: 0.8351967068529614
Energy: 0.8133700259925791
Energy: 0.8373297109839893
Energy: 0.8362797721623584
Energy: 0.8260221344189544
Energy: 0.826100466899059
Energy: 0.8389294188025482
Energy: 0.8362797721623584
Energy: 0.8260221344184968
Energy: 0.8261004668986014
Energy: 0.8582711286636078
Energy: 0.8166420864884237
Energy: 0.8360745680420725
Energy: 0.7992425393950182
Energy: 0.8582711286640653
Energy: 0.8166420865414876
Energy: 0.8360745680416148
Energy: 0.7972330940766461
Energy: 0.8185339755810663
Energy: 0.8082542741968258
Energy: 0.8384671953740794
Energy: 0.7972330940761885
Energy: 0.8185339755801511
Energy: 0.8082542741968258
Energy: 0.8668988944348709
Energy: 0.7928745216103664
Energy: 0.8118203135728389
Energy: 0.8105917825860333
Energy: 0.8668988944348709
Energy: 0.7928745216103664
Energy: 0.8118203135728389
Energy: 0.7819070118497004
Energy: 0.8443797475895074
Energy: 0.8247754275412478
Energy: 0.8386112759856316
Energy: 0.7819070118492426
Energy: 0.8443797475899651
Energy: 0.8247754275407901
Energy: 0.8362225911094636
Energy: 0.7894458826761553
Energy: 0.8712304697924398
Energy: 0.8642747823016572
Energy: 0.8362225911085484
Energy: 0.7894458826761553
Energy: 0.8712304697933551
Energy: 0.8066946082462328
Energy: 0.8415941160543924
Energy: 0.8247378415461061
Energy: 0.8458416996477239
Energy: 0.8066946080467907
Energy: 0.8415941160543924
Energy: 0.8247378415456484
Energy: 0.8356510450121166
Energy: 0.7816810892579663
Energy: 0.8604149925316363
Energy: 0.8669267305401231
Energy: 0.8356510450121166
Energy: 0.7816810892565934
Energy: 0.8669898965749478
Energy: 0.7818285605382007
Energy: 0.8240336178108941
Energy: 0.8260973623818113
Energy: 0.8485417005705621
Energy: 0.7818285605372854
Energy: 0.8240336178113519
Energy: 0.8260973623813537
Energy: 0.7776657137140841
Energy: 0.7866160503871139
Energy: 0.8200291443255507
Energy: 0.8013344088999694
Energy: 0.7776657137140841
Energy: 0.7866160503875717
Energy: 0.8200291443260084
Energy: 0.7830742403922005
Energy: 0.8269846763989029
Energy: 0.8200109668470165
Energy: 0.8421865122661637
Energy: 0.7830742403917431
Energy: 0.8269846763993606
Energy: 0.8200109668470165
Energy: 0.7858913143338525
Energy: 0.809596173414617
Energy: 0.8265952031431051
Energy: 0.7817855622648173
Energy: 0.7858913143338525
Energy: 0.809596173414617
Energy: 0.8265952031431051
Energy: 0.7829448083396388
Energy: 0.8032199070558322
Energy: 0.8264852433399561
Energy: 0.8129370264489267
Energy: 0.7829448083387235
Energy: 0.8032199070562898
Energy: 0.826485243341329
Energy: 0.8362379162679
Energy: 0.8068286328963297
Energy: 0.8616245110066035
Energy: 0.8185163548807777
Energy: 0.8362379162674424
Energy: 0.8068286328958719
Energy: 0.8616245110066035
Energy: 0.782979094310058
Energy: 0.8260556648608874
Energy: 0.8247763553199354
Energy: 0.8511364727128999
Energy: 0.7829790943096004
Energy: 0.8260556648608874
Energy: 0.8247763553194779
Energy: 0.8388869911012469
Energy: 0.8065468861946895
Energy: 0.8395075968858011
Energy: 0.8250449363006089
Energy: 0.8388869911017043
Energy: 0.8065468861951473
Energy: 0.8534859373144194

minimum gb energy = 0.7775764930956447 eV
minimum distance =  1.9139741131346 Angstroms
sigma value = 113


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

Energy: 0.8669242604687972
Energy: 0.8533895104753576
Energy: 0.8761254366095467
Energy: 0.8586101624325595
Energy: 0.8669242604665219
Energy: 0.8533895048367873
Energy: 0.8238352518441763
Energy: 0.8741284107999078
Energy: 0.8346442766771562
Energy: 0.9067294515933138
Energy: 0.810614058972179
Energy: 0.8741284102094193
Energy: 0.8346442766764133
Energy: 0.9067294515941031
Energy: 0.820086109299563
Energy: 0.847294639410779
Energy: 0.8202759691708157
Energy: 0.8287079454909995
Energy: 0.8195292908649239
Energy: 0.8472946394120328
Energy: 0.8202759685862248
Energy: 0.8146800534698679
Energy: 0.8188474330469716
Energy: 0.9232884268146093
Energy: 0.8313922325656874
Energy: 0.8146800534744651
Energy: 0.81884743305338
Energy: 0.9232884267987743
Energy: 0.8714229832165793
Energy: 0.8081817752076212
Energy: 0.8632538281652731
Energy: 0.7896625395647915
Energy: 0.871422983172418
Energy: 0.8081817752071104
Energy: 0.8632538281673162
Energy: 0.8082641622152041
Energy: 0.7747213376068962
Energy: 0.878566027945998
Energy: 0.8099641644166633
Energy: 0.8082641619941656
Energy: 0.7747213376068962
Energy: 0.8785660152439022
Energy: 0.805529591865078
Energy: 0.8061560244673344
Energy: 0.8204875622183424
Energy: 0.8068847975640612
Energy: 0.8055295877886366
Energy: 0.8061560244639909
Energy: 0.8204875622183424
Energy: 0.8170994056930257
Energy: 0.7859953795996834
Energy: 0.8891139459678338
Energy: 0.8172180377163053
Energy: 0.8170994056901931
Energy: 0.7859953795989404
Energy: 0.8891139459686233
Energy: 0.8504904845981119
Energy: 0.7903709665824196
Energy: 0.8442276568894775
Energy: 0.7912738026151094
Energy: 0.8504904846379546
Energy: 0.7903709665837197
Energy: 0.8442276568912422
Energy: 0.8504848636696968
Energy: 0.7865646614595457
Energy: 0.8725054442042974
Energy: 0.8142910870848609
Energy: 0.8504848636740617
Energy: 0.7865646614620997
Energy: 0.8725054442014647
Energy: 0.812305653614069
Energy: 0.8442766590518737
Energy: 0.8742783377100892
Energy: 0.7696431121374981
Energy: 0.8123056408340524
Energy: 0.8442766590554494
Energy: 0.8742783377103214
Energy: 0.7850870096461886
Energy: 0.7847519549718938
Energy: 0.9077908227651008
Energy: 0.7857353178945932
Energy: 0.7850870058687064
Energy: 0.7847519549456107
Energy: 0.9077908227658438
Energy: 0.8634170445017554
Energy: 0.8357479588036545
Energy: 0.8728912996910633
Energy: 0.7904035584642555
Energy: 0.8634170445173117
Energy: 0.8357479588082518
Energy: 0.8728912996913417
Energy: 0.8487954951380273
Energy: 0.8211252439745311
Energy: 0.8858303500270215
Energy: 0.7923706897820457
Energy: 0.8487954951295759
Energy: 0.8211252439765744
Energy: 0.8858303500052892
Energy: 0.8055354786774513
Energy: 0.8115575743538408
Energy: 0.8942708661382494
Energy: 0.8160498624359098
Energy: 0.8055298170767523
Energy: 0.8115575752256888
Energy: 0.8942708661346737
Energy: 0.8187433606679289
Energy: 0.7775537484675195
Energy: 0.8754600622984349
Energy: 0.7974382581202328
Energy: 0.8187434052118684
Energy: 0.7775537481249097
Energy: 0.8754600622987135
Energy: 0.8681929545792589
Energy: 0.844056527550307
Energy: 0.9039382146072917
Energy: 0.7924160208880772
Energy: 0.8681929545838561
Energy: 0.8440565275411126
Energy: 0.9039382146080812
Energy: 0.7868154679849418
Energy: 0.7889955836499977
Energy: 0.8709285258799419
Energy: 0.7923882010154661
Energy: 0.7868154679068354
Energy: 0.7889955839496997
Energy: 0.870928525916209
Energy: 0.8693740412984887
Energy: 0.8302396618557797
Energy: 0.8495891120946782
Energy: 0.8027898216055012
Energy: 0.8693740413043397
Energy: 0.8302396618573121
Energy: 0.8495891120977431
Energy: 0.8317332947358247
Energy: 0.7780308067350307
Energy: 0.8566291722174278
Energy: 0.7664431357954685
Energy: 0.8317332947407006
Energy: 0.7780308067365632
Energy: 0.8566291722156634
Energy: 0.8242024668055808
Energy: 0.8053494303499642
Energy: 0.8580869396846348
Energy: 0.8616972172835616
Energy: 0.8242024662807075
Energy: 0.8053494303468993
Energy: 0.8580869396851456
Energy: 0.8142092556285605
Energy: 0.7879029754679074
Energy: 0.8389486444565196
Energy: 0.7935068386883705
Energy: 0.814209258642485
Energy: 0.7879029754686504
Energy: 0.8389486444537334
Energy: 0.8511660212446839
Energy: 0.7816187628512412
Energy: 0.9053341526667708
Energy: 0.8294843659179215
Energy: 0.8511660212429194
Energy: 0.781618762854074
Energy: 0.9053341526703462
Energy: 0.8488550261815916
Energy: 0.7781600438046411
Energy: 0.8200688811438744
Energy: 0.7971591544409864
Energy: 0.848855027401111
Energy: 0.7781600438031087
Energy: 0.8200688811459177
Energy: 0.8341629994979437
Energy: 0.7968765808826461
Energy: 0.8650382242680654
Energy: 0.8492043265645866
Energy: 0.8341629995053735
Energy: 0.7968765808839464
Energy: 0.865038224266533
Energy: 0.8394099994807677
Energy: 0.821635156834727
Energy: 0.8519924078172699
Energy: 0.8311320351774393
Energy: 0.8394099994909838
Energy: 0.821635156784204
Energy: 0.8519924078193132
Energy: 0.8804251759959412
Energy: 0.7964354808942631
Energy: 0.8217716968461266
Energy: 0.8653419589874217
Energy: 0.880425175988047
Energy: 0.7964354808942631
Energy: 0.8217716968468697
Energy: 0.816464679788441
Energy: 0.8541365554037639
Energy: 0.858857709446782
Energy: 0.8758601530500194
Energy: 0.8164647012382266
Energy: 0.8541365554019992
Energy: 0.8588577094465498
Energy: 0.8776435996927926
Energy: 0.7981122446479152
Energy: 0.8685430071350008
Energy: 0.8450104611416419
Energy: 0.877643599693071
Energy: 0.7981122446497262
Energy: 0.8685427776225032
Energy: 0.8216869931151856
Energy: 0.8184658520372609
Energy: 0.8340436661880354
Energy: 0.8439898286207058
Energy: 0.8216843965933128
Energy: 0.8184658520416259
Energy: 0.8340436665099809
Energy: 0.857145432067364
Energy: 0.8051145332794851
Energy: 0.8822935826946285
Energy: 0.8527042100833412
Energy: 0.8571454320717291
Energy: 0.8051145332815285
Energy: 0.8822935826877558
Energy: 0.8465810558710418
Energy: 0.7750742330579706
Energy: 0.8608065621101416
Energy: 0.8007660157867463
Energy: 0.846581055840951
Energy: 0.7750742330559274
Energy: 0.8608065621152496
Energy: 0.8542740608629503
Energy: 0.7742026785726046
Energy: 0.8992177807805243
Energy: 0.817763244272437
Energy: 0.8542740608598854
Energy: 0.774202678575948
Energy: 0.8992177807774594
Energy: 0.763019002398903
Energy: 0.7702754871640108
Energy: 0.8138723904304321
Energy: 0.7834707950585132
Energy: 0.7630190023996926
Energy: 0.7702754871614569
Energy: 0.8138723903704359
Energy: 0.8101509735994364
Energy: 0.7664554894793689
Energy: 0.846368532055641
Energy: 0.812416379674921
Energy: 0.8101505461285636
Energy: 0.7664554894750503
Energy: 0.8463685320510438
Energy: 0.7631908480029369
Energy: 0.7870113505176437
Energy: 0.823708916797036
Energy: 0.7628092803828165
Energy: 0.763190848003169
Energy: 0.7870113505130465
Energy: 0.823708916791417
Energy: 0.7962839129418579
Energy: 0.7722771678218111
Energy: 0.8467460506996347
Energy: 0.8096189236774546
Energy: 0.7962837877171627
Energy: 0.7722771678230648
Energy: 0.8467460506986131
Energy: 0.8093877278856596
Energy: 0.7875283915632333
Energy: 0.8254562840049506
Energy: 0.7628256979751524
Energy: 0.8093877278894673
Energy: 0.7875283915637441
Energy: 0.8254562840059722
Energy: 0.7858247423328473
Energy: 0.7929559763435975
Energy: 0.8978157143095967
Energy: 0.7889548906840812
Energy: 0.7858246973977718
Energy: 0.7929559764697194
Energy: 0.8978157143085751
Energy: 0.7955836167605047
Energy: 0.8512588043710497
Energy: 0.841493356956409
Energy: 0.807487653017426
Energy: 0.7955835903126496
Energy: 0.851258804370539
Energy: 0.8414933569523688
Energy: 0.8100036396736301
Energy: 0.8007130932652089
Energy: 0.8840168135346629
Energy: 0.782648741200347
Energy: 0.8100111528685944
Energy: 0.8007130932628871
Energy: 0.8840168135380063
Energy: 0.7963565410217522
Energy: 0.815937063445975
Energy: 0.8753343094749073
Energy: 0.8272112760348517
Energy: 0.796356541035544
Energy: 0.8159370641737766
Energy: 0.8753343094693349
Energy: 0.8325343636779435
Energy: 0.8120480517564105
Energy: 0.8620212490172833
Energy: 0.777885169343432
Energy: 0.8325343636837945
Energy: 0.8120480517561784
Energy: 0.8620212490116644
Energy: 0.8352457386766325
Energy: 0.8047912608918583
Energy: 0.8742358615252291
Energy: 0.7854833732928814
Energy: 0.8352457386776541
Energy: 0.8047899815549253
Energy: 0.8742358615244861
Energy: 0.7624029397714558
Energy: 0.7980314137489927
Energy: 0.8695920018716681
Energy: 0.786463978093141
Energy: 0.7624029397714558
Energy: 0.7980314136430242
Energy: 0.869592001869114

minimum gb energy = 0.7624029397714558 eV
minimum distance =  1.9087780584637 Angstroms
sigma value = 365


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

Energy: 0.8220956420204708
Energy: 0.6738731074285236
Energy: 0.8953355677240655
Energy: 0.6738731074290994
Energy: 0.822095642019895
Energy: 0.6738731074290994
Energy: 0.7655964936967696
Energy: 0.8220956420210467
Energy: 0.6738731074279478
Energy: 0.8953355677280965
Energy: 0.6738731074279478
Energy: 0.8220956420216227
Energy: 0.6738731074290994
Energy: 0.8953355677246414
Energy: 0.8220956420210467
Energy: 0.6738731074285236
Energy: 0.8599155301503675
Energy: 0.6738731074290994
Energy: 0.8220956420210467
Energy: 0.6738731074279478
Energy: 0.8599155304427606
Energy: 0.8220956420210467
Energy: 0.6738731074290994
Energy: 0.8599155297618623
Energy: 0.6738731074273719
Energy: 0.8220956420204708
Energy: 0.6738731074290994
Energy: 0.765596493699073
Energy: 0.8220956420216227
Energy: 0.6738731074279478
Energy: 0.8599155298159645
Energy: 0.6738731074285236
Energy: 0.8220956420204708
Energy: 0.6738731074296753
Energy: 0.8599155300335254
Energy: 0.8220956420210467
Energy: 0.6738731074290994
Energy: 0.8426020485180967
Energy: 0.6738731074290994
Energy: 0.8220956420204708
Energy: 0.6738731074279478
Energy: 0.8426020485186726
Energy: 0.8220956420210467
Energy: 0.6738731074279478
Energy: 0.8426020485198243
Energy: 0.6738731074279478
Energy: 0.8220956420204708
Energy: 0.6738731074279478
Energy: 0.7655964936984971
Energy: 0.8220956420216227
Energy: 0.6738731074267961
Energy: 0.8426020485204001
Energy: 0.6738731074285236
Energy: 0.8220956420210467
Energy: 0.6738731074296753
Energy: 0.8426020485186726
Energy: 0.8220956420210467
Energy: 0.6738731074296753
Energy: 0.6971900842076014
Energy: 0.6738731074279478
Energy: 0.8220956420210467
Energy: 0.6738731074285236
Energy: 0.6971900853765983
Energy: 0.822095642019895
Energy: 0.6738731074285236
Energy: 0.6971900813705683
Energy: 0.6738731074279478
Energy: 0.8220956420210467
Energy: 0.6738731074290994
Energy: 0.7655964936979213
Energy: 0.822095642019895
Energy: 0.6738731074279478
Energy: 0.6971900817855619
Energy: 0.6738731074279478
Energy: 0.8220956420210467
Energy: 0.6738731074290994
Energy: 0.6971900834000456
Energy: 0.8220956420210467
Energy: 0.6738731074290994
Energy: 0.7655964936984971
Energy: 0.6738731074296753
Energy: 0.8220956420210467
Energy: 0.6738731074285236
Energy: 0.7655964936973454
Energy: 0.8220956420210467
Energy: 0.6738731074285236
Energy: 0.7655964936961938
Energy: 0.6738731074290994
Energy: 0.8220956420210467
Energy: 0.6738731074279478
Energy: 0.7655964936973454
Energy: 0.8220956420204708
Energy: 0.6738731074273719
Energy: 0.7655964936967696
Energy: 0.6738731074285236
Energy: 0.822095642019895
Energy: 0.6738731074290994
Energy: 0.7655964936967696
Energy: 0.8220956420204708
Energy: 0.6738731074285236
Energy: 0.7655964936979213
Energy: 0.6738731074296753
Energy: 0.8220956420204708
Energy: 0.6738731074279478
Energy: 0.7655964936967696
Energy: 0.8220956420210467
Energy: 0.6738731074296753
Energy: 0.7655964936967696
Energy: 0.6738731074279478
Energy: 0.8220956420204708
Energy: 0.6738731074285236
Energy: 0.7655964936973454
Energy: 0.8220956420216227
Energy: 0.6738731074279478
Energy: 0.7655964936967696
Energy: 0.6738731074290994
Energy: 0.822095642019895
Energy: 0.6738731074290994
Energy: 0.7655964936967696
Energy: 0.8220956420210467
Energy: 0.6738731074296753
Energy: 0.7655964936979213
Energy: 0.6738731074296753
Energy: 0.822095642019895
Energy: 0.6738731074285236
Energy: 0.7655964936973454
Energy: 0.8220956420204708
Energy: 0.6738731074285236
Energy: 0.7655964936967696
Energy: 0.6738731074290994
Energy: 0.8220956420204708
Energy: 0.6738731074285236
Energy: 0.7655964936979213
Energy: 0.8220956420204708
Energy: 0.6738731074285236
Energy: 0.7655964936967696
Energy: 0.6738731074273719
Energy: 0.8220956420204708
Energy: 0.6738731074296753
Energy: 0.7655964936967696

minimum gb energy = 0.6738731074267961 eV
minimum distance =  2.5792107373502 Angstroms
sigma value = 23