Model name: model_name=Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.082927376031875
cohesive_energy=6.489023218313714
mass=95.95
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: 0.019526467201574013
Energy: -0.7162680171541269
Energy: -0.7217510245002385
Energy: 1.3168087751516742
Energy: -0.7217556703258211
Energy: -0.7193925340500301
Energy: 0.019526467201574013
Energy: -0.7201661703078898
Energy: -0.7217554999399126
Energy: 1.5041067841992064
Energy: 0.5763167356359408
Energy: -0.7207762206004577
Energy: -0.7207314619025015
Energy: 0.570849155275333
Energy: -0.7207314666127864
Energy: -0.7207882554433448
Energy: 0.5763167356339534
Energy: -0.7207137348505361
Energy: -0.7207314647930319
Energy: 0.570849155275333
Energy: 0.019526467201574013
Energy: -0.7199716974550655
Energy: -0.721755290097457
Energy: 1.3167137582465152
Energy: -0.721761306205715
Energy: -0.7201508805930632
Energy: 0.019526467201574013
Energy: -0.7176113065921396
Energy: -0.7217677248622678
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Energy: 0.5763167356339534
Energy: -0.7208589196702632
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Energy: 0.570849155275333
Energy: -0.7207314658896458
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Energy: 0.5763167356359408
Energy: -0.7208747294845742
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Energy: 0.570849155275333
Energy: 0.019526467201574013
Energy: -0.7198485845711794
Energy: -0.7217582695142353
Energy: 1.504106784201194
Energy: -0.7217591586811697
Energy: -0.7198471477480782
Energy: 0.019526467201574013
Energy: -0.7197520659851545
Energy: -0.7217581480353465
Energy: 1.5041067841992064
Energy: 0.5763167356359408
Energy: -0.7206763735435738
Energy: -0.7207314642963779
Energy: 0.570849155275333
Energy: -0.7207314607243995
Energy: -0.7208826893759281
Energy: 0.5763167356339534
Energy: -0.7206834781897512
Energy: -0.7207314650910244
Energy: 0.5708491552773205
Energy: 0.019526467201574013
Energy: -0.720196356153005
Energy: -0.7217660823169287
Energy: 1.5041067841992064
Energy: -0.721767414412495
Energy: -0.7200572954252599
Energy: 0.019526467201574013
Energy: -0.7201334580568158
Energy: -0.7217606345297971
Energy: 1.5041067841992064

minimum gb energy = -0.7217677248622678 eV
minimum distance =  2.50979553776805 Angstroms
sigma value = 3


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

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Energy: 0.22554835722873043
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Energy: 0.18468506216279232
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Energy: 0.3730100854371454
Energy: 0.036477763026571026
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Energy: 0.15467752843031163
Energy: 0.3843502098650941
Energy: 0.22599898722478448
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Energy: 0.23783167561010682
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Energy: 0.15318217717782331
Energy: 0.23783167560961996
Energy: 0.168392743755704
Energy: 0.3121898499157334
Energy: 0.1269255736271508

minimum gb energy = -0.022452608886505094 eV
minimum distance =  2.48842486558788 Angstroms
sigma value = 75


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

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Energy: 0.636061899373748
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minimum gb energy = 0.45970382724544917 eV
minimum distance =  2.43470508602257 Angstroms
sigma value = 105


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

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Energy: 0.6894665967518004
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Energy: 0.6034200580541846
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Energy: 0.603420058057157
Energy: 0.5518476074038487
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Energy: 0.6196881614028289
Energy: 0.7150987306007959
Energy: 0.6036323060585955
Energy: 0.662490929376894
Energy: 0.6910510698550425
Energy: 0.7692938333047765
Energy: 0.6196881614031211
Energy: 0.7150987305991878
Energy: 0.6036323060585955
Energy: 0.5684054382488065
Energy: 0.5290610261541095
Energy: 0.6912921926649649
Energy: 0.7133328196482309
Energy: 0.8921880074047862
Energy: 0.570829050145278
Energy: 0.5684054382509505
Energy: 0.5290610261541095
Energy: 0.6912921926652573
Energy: 0.7133328196485232
Energy: 0.7548534675105624
Energy: 0.7091563771085452
Energy: 0.6018090141786209
Energy: 0.5664980017623032
Energy: 0.729615948483984
Energy: 0.7534018358618366
Energy: 0.7548534675078823
Energy: 0.7091563771088376
Energy: 0.6018090141796928
Energy: 0.5664980017593308
Energy: 0.7258592158395507
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Energy: 0.5992749726958203
Energy: 0.6952992507817691
Energy: 0.7404748234970218
Energy: 0.8208829863830179
Energy: 0.725859215838771
Energy: 0.6873590922010764
Energy: 0.5992749726963563
Energy: 0.6952992507825974

minimum gb energy = 0.40494488356692704 eV
minimum distance =  2.45865864581032 Angstroms
sigma value = 165


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

Energy: 1.1690811688107117
Energy: 1.2540826031975099
Energy: 1.1604681134621955
Energy: 0.4423906945574586
Energy: 1.1606367044577266
Energy: 1.2542401071631248
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Energy: 1.2540826032168308
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Energy: 0.8070836713071016
Energy: 1.213822814367472
Energy: 1.163180967370302
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Energy: 1.1254242214064674
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Energy: 0.8070836713126217
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Energy: 1.1631809673675417
Energy: 0.8089366791462735
Energy: 1.1478233118264076
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Energy: 0.2626249333640912
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Energy: 0.46037230728414885
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Energy: 0.8229700651387014
Energy: 0.9938109848822221
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Energy: 1.1430568828236407
Energy: 0.24700994668826384
Energy: 0.8229700651387014
Energy: 0.993810984880382
Energy: 0.3851172500049483
Energy: 0.2644274298107559
Energy: 0.2815422160796966
Energy: 1.147812837776757
Energy: 0.2635463641023177
Energy: 1.1746537186302932
Energy: 0.38503801673625065
Energy: 0.26450151324516286
Energy: 0.2814950540588306
Energy: 1.1478128377739967
Energy: 0.8089327423176448
Energy: 1.163178173868536
Energy: 1.2138988309279801
Energy: 0.806462757688106
Energy: 1.1433198227847743
Energy: 1.1254249730933175
Energy: 0.8089327423259253
Energy: 1.163178173868536
Energy: 1.2138982693754616
Energy: 0.8064627577377466
Energy: 0.5643155456710315
Energy: 1.160636704509249
Energy: 1.2542401071171227
Energy: 1.1690811688097915
Energy: 1.2540826032416719
Energy: 1.1604681135274768
Energy: 0.4606822334417833
Energy: 1.1606367044761274
Energy: 1.254240107125403
Energy: 1.1690811688088714

minimum gb energy = 0.2414692936060953 eV
minimum distance =  2.50342368663382 Angstroms
sigma value = 41


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

Energy: 0.4821363752182929
Energy: 0.28614108814949824
Energy: 0.17564478209617151
Energy: 0.10552240503337083
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Energy: 0.17725938044248782
Energy: 0.2125975185390504
Energy: 0.25551154887085004
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Energy: 0.2421052695118687
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Energy: 0.2581777667242049
Energy: 0.17409017846378821
Energy: 0.062249585550581646
Energy: 0.2953728888408763
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Energy: 0.038263904263043075
Energy: 0.0978740424174902
Energy: 0.17484200734828453
Energy: 0.1708254753163959
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Energy: 0.01935018640647615
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Energy: 0.2818948297791172
Energy: 0.17668175528801422
Energy: 0.10735839099525002
Energy: 0.24365706412794094
Energy: 0.16068855614583982
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Energy: 0.2818948297780786
Energy: 0.17668175528801422
Energy: 0.10735839099525002
Energy: 0.17514694668990238
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Energy: 0.10540934577328917
Energy: 0.04820332911480007
Energy: 0.1751469466909408
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Energy: 0.08727827817853655
Energy: 0.24237009664024725
Energy: 0.0905246308539394
Energy: 0.23280182595606064
Energy: 0.15036455546655655
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Energy: 0.24237009663953332
Energy: 0.09052463085465334
Energy: 0.23280182595852694
Energy: 0.1503645554694123
Energy: 0.20342489838726968
Energy: 0.0999137725658893
Energy: 0.022739958633477737
Energy: 0.015408301107172031
Energy: 0.1078065270869253
Energy: 0.09578273617761132
Energy: 0.20342489838869754
Energy: 0.09991377256517538
Energy: 0.02273995863561955
Energy: 0.015408301106458092
Energy: -0.047384993426245095
Energy: 0.17465272447090568
Energy: 0.2914676366909106
Energy: -0.025666028397534443
Energy: 0.10726731355227408
Energy: 0.24285887709238854
Energy: -0.04738499342734845
Energy: 0.17465272447019176
Energy: 0.29146763669266296
Energy: -0.025666028396820504
Energy: 0.20866987273712365
Energy: 0.17462363697799682
Energy: 0.2454368165164831
Energy: 0.0953063759021961
Energy: 0.5382550514042743
Energy: 0.2534645195943823
Energy: 0.20866987273673424
Energy: 0.17462363697695837
Energy: 0.2454368165161586
Energy: 0.09530637589791247
Energy: 0.14806562724527866
Energy: 0.10946183557030505
Energy: 0.17377570906536777
Energy: 0.17446308560581975
Energy: 0.07977865759732852
Energy: 0.17501321490166608
Energy: 0.14806562724385078
Energy: 0.1094618355714084
Energy: 0.1737757090657572
Energy: 0.17446308560186066

minimum gb energy = -0.09560725608915585 eV
minimum distance =  2.48994404747837 Angstroms
sigma value = 185


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

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Energy: 0.9646814485968681
Energy: 0.9351256232492025
Energy: 0.5988241218061728
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Energy: 0.9776919339660775
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Energy: 1.026408083079118
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Energy: 0.9858243865526551
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Energy: 0.6098422144024745
Energy: 0.9355326134870493
Energy: 0.8196397476303068
Energy: 1.4387269965339262
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Energy: 0.9351256232483549
Energy: 0.5988795995220226
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Energy: 1.385072947487811
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Energy: 0.9694775541662654
Energy: 0.9007735860224247
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Energy: 0.9007735860215772
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Energy: 1.3698201871315294
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Energy: 1.026408083079118
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Energy: 1.3835960695209568
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Energy: 1.3835960695192622
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Energy: 0.9335471179530261
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Energy: 0.9340528137804767
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Energy: 1.3698201871336482
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Energy: 0.9700194277509436
Energy: 1.0264080830825082
Energy: 0.9340528137779341
Energy: 0.9759664889908237
Energy: 1.369820187131953
Energy: 1.3691075872107794
Energy: 0.9327047904666581
Energy: 0.9138874533095758
Energy: 0.9937884562235996
Energy: 0.9019246708660038
Energy: 0.9355031769546917
Energy: 1.3691075872124743
Energy: 0.9327047904670819
Energy: 0.9138874533083046
Energy: 0.9937884562121586
Energy: 1.0275038740064906
Energy: 0.9123747522108474
Energy: 0.9132637001301968
Energy: 1.3810034277348529
Energy: 0.9353204358020032
Energy: 0.9919658178940602
Energy: 1.027503874007338
Energy: 0.9123747522104236
Energy: 0.9132637001331629
Energy: 1.3810034277369716
Energy: 1.3850584366047847
Energy: 0.9773695999061774
Energy: 0.9650496653265069
Energy: 1.1245981518863153
Energy: 0.9858243865556212
Energy: 0.9164418706452733
Energy: 1.385058436606056
Energy: 0.9773695999078723
Energy: 0.9650496653256595
Energy: 1.1245981518871628

minimum gb energy = 0.5915352419907681 eV
minimum distance =  2.49816895917932 Angstroms
sigma value = 33


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

Energy: 0.6635086292793454
Energy: 0.6510862368163748
Energy: 0.5876783791171525
Energy: 0.7552301094771323
Energy: 0.446456713504521
Energy: 0.6476368432644335
Energy: 0.663508629274693
Energy: 0.6510862368163748
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Energy: 0.7350000218014231
Energy: 0.7402589807248146
Energy: 0.4102197626322
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Energy: 0.4747518742118192
Energy: 0.5507938278723802
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Energy: 0.660045500931389
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Energy: 0.6600455009290629
Energy: 0.46626879891737055
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Energy: 0.5196318662763914
Energy: 0.682287882009361
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Energy: 0.6818519069510142
Energy: 0.4591111502937809
Energy: 0.5982118227448329
Energy: 0.4632431754436779
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Energy: 0.4067919861461643
Energy: 0.7202749910281443
Energy: 0.6692574259711898
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Energy: 0.6133538098849477
Energy: 0.4124470562512963
Energy: 0.4368711455368443
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Energy: 0.6532361135367024
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Energy: 0.6532361135343762
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Energy: 0.4921808672200617
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Energy: 0.43191064854047
Energy: 0.4921808672270403
Energy: 0.44837957519453314
Energy: 0.45636836692604354
Energy: 0.42364582233263776
Energy: 0.5629162262870102
Energy: 0.5553391102532161
Energy: 0.5242282851669876
Energy: 0.5138621251025849
Energy: 0.5281503600107751
Energy: 0.604389504746451
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Energy: 0.5553391102555424
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Energy: 0.7538517484204931
Energy: 0.5056275807513404
Energy: 0.6819540993086826
Energy: 0.6052331748088828
Energy: 0.6457703905978444

minimum gb energy = 0.4013162298810328 eV
minimum distance =  2.44041592356815 Angstroms
sigma value = 219


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

Energy: 0.28979779376971515
Energy: 0.31051968930098595
Energy: 0.059485848938429155
Energy: 0.8759751308150733
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Energy: 0.289070094971012
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Energy: 0.36502820039402956
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Energy: 0.05929149560445316
Energy: 0.2884302953618177
Energy: 0.2452862895372545
Energy: 0.0598107985876649
Energy: 0.06017281780578486
Energy: 0.28876914273838167
Energy: 0.3799655933204028
Energy: 0.2884302953618177
Energy: 0.24528628953879403
Energy: 0.0598107985876649
Energy: 0.06017281780578486
Energy: 0.05901730232237338
Energy: 0.059401867087199946
Energy: 0.059464553614890336
Energy: 0.4138785611228448
Energy: 0.45529916030889733
Energy: 0.30811434469314725
Energy: 0.05901730232237338
Energy: 0.23969395446322878
Energy: 0.059464553614890336
Energy: 0.4138785611228448

minimum gb energy = 0.05894970140505882 eV
minimum distance =  2.52763172169826 Angstroms
sigma value = 15


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

Energy: 0.427784986146119
Energy: 0.35220887563497927
Energy: 0.3076607256009712
Energy: 0.5385987791735252
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Energy: 0.24302486204454488
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Energy: 0.3206268016877429
Energy: 0.34227000623763104
Energy: 0.10144064510345045
Energy: 0.4280844133790199
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Energy: 0.4075105122469253
Energy: 0.3206268016905822
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Energy: 0.1640887744153906
Energy: 0.1403982914035506
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Energy: 0.6592416749149103
Energy: 0.1684960622198813
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Energy: 0.22157710463317662
Energy: 0.13903251499666502
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Energy: 0.3069891595867305
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Energy: 0.12509130369937035
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Energy: 0.2476010133429906
Energy: 0.20485891538127152
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minimum gb energy = 0.009074029535118726 eV
minimum distance =  2.488694792307 Angstroms
sigma value = 293


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

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Energy: 0.5969095534601927
Energy: 0.7666665727347519
Energy: 0.6929628058676041
Energy: 0.6929539494489794
Energy: 0.7668415586240136
Energy: 0.5971527620438732
Energy: 0.5969095534615836
Energy: 0.7666665727385771
Energy: 0.7776474547244956
Energy: 0.8026421025251477
Energy: 0.9286071686495657
Energy: 0.9330862420082121
Energy: 0.9136728274377195
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Energy: 0.7776474547203226
Energy: 0.802642102526191
Energy: 0.9286071686467838
Energy: 0.9330862420071688
Energy: 0.6739965091158665
Energy: 0.7161282107759159
Energy: 0.6818143426773421
Energy: 0.8260324717119296
Energy: 0.6705749065957992
Energy: 0.6565446985940265
Energy: 0.673996509116562
Energy: 0.7161282107762637
Energy: 0.6818143426776898
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Energy: 0.6345168956565336
Energy: 0.6909334697090904
Energy: 1.0145566742780154
Energy: 0.7421759895373414
Energy: 0.8086689052020176
Energy: 0.7786477873890835
Energy: 0.6345168956575769
Energy: 0.6909334697080474
Energy: 1.014556674279406
Energy: 0.7421759895366461
Energy: 0.9087122367928928
Energy: 0.7575740627886767
Energy: 0.8996361551149523
Energy: 0.8505490265579089
Energy: 0.9328291793529969
Energy: 0.9527169014903865
Energy: 0.9087122367963703
Energy: 0.7575740627904155
Energy: 0.8996361551177342
Energy: 0.8505490265592999
Energy: 0.7941775445391125
Energy: 0.7470684505220117
Energy: 0.8124507599314981
Energy: 0.8066291754798258
Energy: 0.8555484356912705
Energy: 0.8544450086747373
Energy: 0.7941775445370259
Energy: 0.7470684505223593
Energy: 0.8124507599325413
Energy: 0.8066291754832717
Energy: 0.647478973670934
Energy: 0.7607340841397086
Energy: 0.6838733501086522
Energy: 0.6611990793207658
Energy: 0.7196585764073818
Energy: 0.9526349355095425
Energy: 0.6474789736698908
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Energy: 0.6611990793204179
Energy: 0.9257878271799521
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Energy: 0.7153364665172707
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Energy: 0.7147162187683492
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Energy: 0.9257878271799521
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Energy: 0.7153364665172707
Energy: 1.0100710159851822
Energy: 0.7201612973435898
Energy: 0.9526870140916098
Energy: 0.7196645715999981
Energy: 0.660920432725282
Energy: 0.6839267796226193
Energy: 0.7607998186625784
Energy: 0.7201612973421987
Energy: 0.9526870140923054
Energy: 0.7196645716003458
Energy: 0.66092043272563
Energy: 0.716012029639561
Energy: 0.8534291037608044
Energy: 0.7509161795355709
Energy: 0.80682683392044
Energy: 0.7470575935393644
Energy: 0.7469702464564054
Energy: 0.7939953806263994
Energy: 0.8534291037621953
Energy: 0.7509161795345276
Energy: 0.8068268339218309
Energy: 1.095306903668911
Energy: 0.9527481347222587
Energy: 0.8984566293054602
Energy: 0.8508640333126118
Energy: 0.8991143603714127
Energy: 0.7574540004281988
Energy: 1.095306903668563
Energy: 0.9527481347229542
Energy: 0.8984566293058079
Energy: 0.8508640333153938
Energy: 0.6343173223417236
Energy: 0.7786477873883878
Energy: 0.8086590031163767
Energy: 0.7421425941978113
Energy: 1.014556674278363
Energy: 0.6908014883042697
Energy: 0.6343173223406803
Energy: 0.7786477873883878
Energy: 0.8086590031170723
Energy: 0.7421425941971159
Energy: 0.6740348755405512
Energy: 0.6566052712894827
Energy: 0.6703954706830594
Energy: 0.8261307465025403
Energy: 0.681463622484045
Energy: 0.7161324411537138
Energy: 0.6740348755443764
Energy: 0.6566052712880917
Energy: 0.6703954706837547
Energy: 0.8261307465046268
Energy: 0.7776147644091688
Energy: 0.6683363015489736
Energy: 0.9135624723788331
Energy: 0.9329011953763237
Energy: 0.9282519406954968
Energy: 0.8028549634496998
Energy: 0.7776147644098642
Energy: 0.6683363015493213
Energy: 0.9135624723805719
Energy: 0.9329011953763237
Energy: 0.7666665727347519
Energy: 0.6929628058672562
Energy: 0.6929539494486316
Energy: 0.7668415586215794
Energy: 0.597152762044221
Energy: 0.5969095534601927
Energy: 0.7666665727389249
Energy: 0.6929628058655175
Energy: 0.6929539494486316
Energy: 0.7668415586215794
Energy: 0.9330862420068211
Energy: 0.9136728274370242
Energy: 0.6684649669975657
Energy: 0.7776474547206703
Energy: 0.8026421025258432
Energy: 0.9286071686467838
Energy: 0.9330862420078644
Energy: 0.9136728274373718
Energy: 0.6684649669993046
Energy: 0.7776474547206703
Energy: 0.8260324717108863
Energy: 0.670574906594756
Energy: 0.6565446985954175
Energy: 0.6739965091162141
Energy: 0.7161282107776548
Energy: 0.6818143426776898
Energy: 0.8260324717129728
Energy: 0.6705749065954516
Energy: 0.6565446985950698
Energy: 0.6739965091176052
Energy: 0.7421759895335164
Energy: 0.8086689052061906
Energy: 0.7786477873873446
Energy: 0.6345168956568812
Energy: 0.6909334697090904
Energy: 1.014556674279406
Energy: 0.7421759895349073
Energy: 0.8086689052020176
Energy: 0.7786477873866491
Energy: 0.6345168956572291
Energy: 0.8505490265589521
Energy: 0.9328291793512583
Energy: 0.9527169014910819
Energy: 0.9087122367921973
Energy: 0.7575740627900678
Energy: 0.8996361551170388
Energy: 0.8505490265617341
Energy: 0.9328291793529969
Energy: 0.9527169014893432
Energy: 0.9087122367915018

minimum gb energy = 0.5969095534601927 eV
minimum distance =  2.44704676036092 Angstroms
sigma value = 293


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

Energy: 0.22783179802394968
Energy: 0.8664695743819603
Energy: 0.16147511557593838
Energy: 0.6722217379566159
Energy: 0.16146473027608366
Energy: 0.6782479891785781
Energy: 0.2278317980252067
Energy: 0.8664695743819603
Energy: 0.16147511557656685
Energy: 0.6722217379585014
Energy: 0.1616103496623067
Energy: 0.7426476464917241
Energy: 0.16138718174985872
Energy: 0.8669328067072013
Energy: 1.17153119672841
Energy: 0.6694541876841575
Energy: 0.16161034966419222
Energy: 0.636035087761926
Energy: 0.16138718174860167
Energy: 1.044696099654624
Energy: 0.49616330567387446
Energy: 0.21617503716207243
Energy: 0.9029462677996956
Energy: 0.28584532718352124
Energy: 0.21699073082022782
Energy: 0.16177764562328956
Energy: 0.4961633056726174
Energy: 0.21617503716270095
Energy: 0.9029462678223218
Energy: 0.28584532718477823
Energy: 0.9029243463799245
Energy: 0.21615865190665717
Energy: 0.49619014574149795
Energy: 0.16176252629722776
Energy: 0.2123215494832552
Energy: 0.285840090863806
Energy: 0.9029243463654688
Energy: 0.21615865190665717
Energy: 0.496190145742755
Energy: 0.16176252629659926
Energy: 0.16138974138259585
Energy: 0.9585036099422848
Energy: 0.16147645116528775
Energy: 0.6694524434238491
Energy: 1.1715947173777843
Energy: 0.4725688336164739
Energy: 0.16138974138196735
Energy: 0.9585036099410278
Energy: 0.16147645116403073
Energy: 0.6694524434238491
Energy: 0.16146473027482663
Energy: 0.6782479891792066
Energy: 0.22783179802583522
Energy: 0.8664695743807033
Energy: 0.16147511557719538
Energy: 0.5185269669392972
Energy: 0.16146473027608366
Energy: 0.8664098166915771
Energy: 0.2278317980252067
Energy: 0.8664695743807033
Energy: 1.1715311967277817
Energy: 0.6694541876847859
Energy: 0.1616103496623067
Energy: 0.8352221197191961
Energy: 0.16138718175111574
Energy: 0.8669328067084298
Energy: 1.1715311967290387
Energy: 0.6694541876847859
Energy: 0.16161034966356372
Energy: 0.6360350877638115
Energy: 0.21699073082148485
Energy: 0.16177764562203256
Energy: 0.49616330567387446
Energy: 0.21617503716270095
Energy: 0.9029462678166651
Energy: 0.2858453271854068
Energy: 0.21699073082085635
Energy: 0.16177764562391808
Energy: 0.49616330567387446
Energy: 0.21617503716144393
Energy: 0.21232154948262671
Energy: 0.2858400908631775
Energy: 0.9029243464094359
Energy: 0.2161586519079142
Energy: 0.49619014574401193
Energy: 0.16176252629659926
Energy: 0.21232154948262671
Energy: 0.28584009086443457
Energy: 0.9029243463874667
Energy: 0.21615865190917122
Energy: 1.1715947173784127
Energy: 0.43830004855673355
Energy: 0.16138974138259585
Energy: 0.581986492389857
Energy: 0.16147645116528775
Energy: 0.6694524434232205
Energy: 1.1715947173784127
Energy: 0.47256883361584534
Energy: 0.16138974138322437
Energy: 0.9585036099422848
Energy: 0.16147511557593838
Energy: 0.690152867670816
Energy: 0.16146473027482663
Energy: 0.8664098166896916
Energy: 0.22783179802583522
Energy: 0.8664695743825889
Energy: 0.16147511557530986
Energy: 0.6922452020109868
Energy: 0.16146473027545516
Energy: 0.8664098166915771
Energy: 0.16138718175048722
Energy: 0.8669328067090581
Energy: 1.1715311967277817
Energy: 0.6694541876841575
Energy: 0.16161034966356372
Energy: 0.8352221197185675
Energy: 0.16138718175111574
Energy: 1.04469609912002
Energy: 1.1715311967296673
Energy: 0.6694541876841575
Energy: 0.9029462678078661
Energy: 0.28584532718477823
Energy: 0.21699073082148485
Energy: 0.16177764562203256
Energy: 0.49616330567447436
Energy: 0.21617503716144393
Energy: 0.902946267802838
Energy: 0.28584532718477823
Energy: 0.21699073082085635
Energy: 0.16177764562454658
Energy: 0.49619014574149795
Energy: 0.16176252629722776
Energy: 0.2123215494832552
Energy: 0.2858400908631775
Energy: 0.9029243463818102
Energy: 0.21615865190728564
Energy: 0.49619014574212644
Energy: 0.16176252629659926
Energy: 0.2123215494832552
Energy: 0.28584009086443457
Energy: 0.16147645116340226
Energy: 0.6694524434232205
Energy: 1.1715947173784127
Energy: 0.4725688336171024
Energy: 0.16138974138385284
Energy: 0.6921629535637249
Energy: 0.16147645116403073
Energy: 0.6694524434232205
Energy: 1.171594717379041
Energy: 0.4725688336164739
Energy: 0.2278317980252067
Energy: 0.8664695743819603
Energy: 0.16147511557530986
Energy: 0.6901528676714445
Energy: 0.16146473027482663
Energy: 0.8664098166909487
Energy: 0.2278317980252067
Energy: 0.8664695743794463
Energy: 0.16147511557593838
Energy: 0.8742279724177697
Energy: 0.16161034966419222
Energy: 0.8520581447633979
Energy: 0.16138718175048722
Energy: 1.0446961003017021
Energy: 1.1715311967290387
Energy: 0.669454187683529
Energy: 0.1616103496623067
Energy: 0.8352221197173105
Energy: 0.16138718174985872
Energy: 1.0446961004135196
Energy: 0.49616330567387446
Energy: 0.21617503716207243
Energy: 0.9029462677940389
Energy: 0.2858453271841498
Energy: 0.21699073082148485
Energy: 0.16177764562203256
Energy: 0.49616330567387446
Energy: 0.21617503716270095
Energy: 0.9029462678128941
Energy: 0.28584532718477823
Energy: 0.9029243463843242
Energy: 0.21615865190728564
Energy: 0.49619014574024095
Energy: 0.16176252629785629
Energy: 0.2123215494819982
Energy: 0.2858400908631775
Energy: 0.9029243463818102
Energy: 0.21615865190602865
Energy: 0.4961901457408694
Energy: 0.16176252629659926
Energy: 0.16138974138322437
Energy: 0.6921629535637249
Energy: 0.16147645116465925
Energy: 0.6694524434244776
Energy: 1.1715947173777843
Energy: 0.47256883361773094
Energy: 0.16138974138196735
Energy: 0.6921629535643535
Energy: 0.16147645116465925
Energy: 0.6694524434244776
Energy: 0.16146473027545516
Energy: 0.8664098166909487
Energy: 0.22783179802583522
Energy: 0.8664695743807033
Energy: 0.16147511557593838
Energy: 0.690152867670816
Energy: 0.16146473027482663
Energy: 0.8664098166915771
Energy: 0.2278317980245782
Energy: 0.8664695743807033
Energy: 1.1715311967302957
Energy: 0.6694541876847859
Energy: 0.16161034966419222
Energy: 0.8520581447627694
Energy: 0.16138718174985872
Energy: 1.0446961002407655
Energy: 1.1715311967290387
Energy: 0.6694541876841575
Energy: 0.1616103496629352
Energy: 0.8352221197185675

minimum gb energy = 0.16138718174860167 eV
minimum distance =  2.4307820708426 Angstroms
sigma value = 15


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

Energy: 0.6876886377002163
Energy: 0.6019968966651826
Energy: 0.48200853151141426
Energy: 0.8760997228862378
Energy: 0.4820254504926855
Energy: 0.6020294518620294
Energy: 0.6876886377002163
Energy: 0.6019968966623338
Energy: 0.48200853151426326
Energy: 0.8760997228862378
Energy: 0.286729380144197
Energy: 0.49271030683383354
Energy: 0.4839100058842228
Energy: 0.2941044737183241
Energy: 0.3241144617177331
Energy: 0.39471212742625644
Energy: 0.286729380141348
Energy: 0.49271030683383354
Energy: 0.48391000588137373
Energy: 0.2941044737183241
Energy: 0.42661841378079335
Energy: 0.29419685589493244
Energy: 0.6289920606793031
Energy: 0.4646618330597749
Energy: 0.8215931204251911
Energy: 0.5167119203723892
Energy: 0.4266184137836424
Energy: 0.29419685589778144
Energy: 0.6289920606793031
Energy: 0.46466183306262393
Energy: 0.46131433186383414
Energy: 0.4083176417778643
Energy: 0.30135669557399597
Energy: 0.4371209753092707
Energy: 0.6591551988903323
Energy: 0.32528143891393246
Energy: 0.46131433186383414
Energy: 0.4083176417778643
Energy: 0.30135669557114697
Energy: 0.4371209753092707
Energy: 0.6651433967997588
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Energy: 0.3418720067974831
Energy: 0.41934221071344335
Energy: 0.3423986236251357
Energy: 0.26278873756667476
Energy: 0.6651433967997588
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Energy: 0.3418720067946341
Energy: 0.41934221071344335
Energy: 0.6645314982286237
Energy: 0.460177720659079
Energy: 0.5177444306172013
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Energy: 0.7092911948445986
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Energy: 0.5177444306200504
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Energy: 0.3168430965211202
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Energy: 0.42302626591001957
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Energy: 0.38514006968522063
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Energy: 0.3049452904902725
Energy: 0.400982651795981
Energy: 0.6555487811786314
Energy: 0.7134302057274061
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Energy: 0.6825917673497272
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Energy: 0.29153439294
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Energy: 0.577579428426743
Energy: 0.20224498920170658
Energy: 0.20195594917802975
Energy: 0.3542513238138094
Energy: 0.29153439294284905
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Energy: 0.577579428423894
Energy: 0.3747242839549056
Energy: 0.42837481926888044
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Energy: 0.4703147527108054
Energy: 0.49024386025487976
Energy: 0.6947866395294156
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Energy: 0.4703147527108054
Energy: 0.29078779266717525
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Energy: 0.19715382796113584
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Energy: 0.44083357557058783
Energy: 0.5492632689086091
Energy: 0.29078779266717525
Energy: 0.41751428450488837
Energy: 0.1971538279582868
Energy: 0.41193722357079476
Energy: 0.2975910080690529
Energy: 0.5391417101506167
Energy: 0.4917206170562876
Energy: 0.24450172586937693
Energy: 0.4934675070729772
Energy: 0.27202096265468806
Energy: 0.2975910080690529
Energy: 0.5391417101506167
Energy: 0.49172061705913656
Energy: 0.24450172587222596
Energy: 0.6685257160167855
Energy: 0.41359019310697587
Energy: 0.48929627895373334
Energy: 0.6200462184930664
Energy: 0.3253812978057813
Energy: 0.34524326921106646
Energy: 0.6685257160167855
Energy: 0.41359019310697587
Energy: 0.48929627895088434
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Energy: 0.4372938936452778
Energy: 0.41305608719917986
Energy: 0.37722921537602544
Energy: 0.3062727599607645
Energy: 0.32815783994478065
Energy: 0.4204243580918849
Energy: 0.4372938936481269
Energy: 0.41305608720202885
Energy: 0.37722921537602544
Energy: 0.3062727599579154
Energy: 0.5623666877234693
Energy: 0.7447295114952159
Energy: 0.7297831861737643
Energy: 0.35939859978963073
Energy: 0.46888079919095954
Energy: 0.8254286717172824
Energy: 0.5623666877234693
Energy: 0.7447295114952159
Energy: 0.7297831861709152
Energy: 0.3593985997924798
Energy: 0.17756396435383476
Energy: 0.5451994054832932
Energy: 0.44818895468545633
Energy: 0.32742393171089196
Energy: 0.5004790403309557
Energy: 0.30859437819533714
Energy: 0.1775639643509858
Energy: 0.5451994054832932
Energy: 0.44818895468545633
Energy: 0.3274239317080429
Energy: 0.8139006159504977
Energy: 0.48172952124203783
Energy: 0.29408238772864753
Energy: 0.6248743692447017
Energy: 0.48155817760776964
Energy: 0.5988249651752885
Energy: 0.8139006159476487
Energy: 0.48172952124203783
Energy: 0.2940823877257985
Energy: 0.6248743692447017
Energy: 0.43247553396169325
Energy: 0.32889881483609107
Energy: 0.3883137139448791
Energy: 0.32402768599670156
Energy: 0.39328262230417327
Energy: 0.48336259951612276
Energy: 0.43247553396169325
Energy: 0.3288988148389401
Energy: 0.3883137139420301
Energy: 0.32402768599385257
Energy: 0.17713059988363858
Energy: 0.46708785209102915
Energy: 0.4754024514703124
Energy: 0.5084388924108618
Energy: 0.2903626407980774
Energy: 0.4532352646452062
Energy: 0.17713059988363858
Energy: 0.46708785209102915
Energy: 0.4754024514731614
Energy: 0.5084388924108618
Energy: 0.4191408845441964
Energy: 0.5963639693247786
Energy: 0.46799203359255587
Energy: 0.49807525106010564
Energy: 0.710958843442069
Energy: 0.25344299388422853
Energy: 0.41914088454704546
Energy: 0.5963639693247786
Energy: 0.46799203359825386
Energy: 0.4980752510629547
Energy: 0.5395026930796162
Energy: 0.34576594079967865
Energy: 0.32537408268477774
Energy: 0.27742753270531484
Energy: 0.3830248097213407
Energy: 0.251326914340741
Energy: 0.5395026930824651
Energy: 0.34576594079967865
Energy: 0.32537408268477774
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Energy: 0.29225966607438814
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Energy: 0.5077239448571801
Energy: 0.48364800939503716
Energy: 0.40747349264465876
Energy: 0.28080713641163735

minimum gb energy = 0.1276656906203838 eV
minimum distance =  2.52564472891639 Angstroms
sigma value = 437


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

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Energy: 0.05756177293940003
Energy: -0.12368490422363906
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Energy: 0.12063894161501548
Energy: -0.12196730155936232
Energy: 0.2770658748568967
Energy: 0.010111803490865053
Energy: 0.12011327783319056
Energy: 0.25811627145623034
Energy: 0.12063893845276524
Energy: -0.12196730155728643
Energy: 0.2770658748568967
Energy: 0.42278851728047756
Energy: 0.2311646178807393
Energy: 0.20643360425491342
Energy: -0.12365170992184858
Energy: 0.05741896148879162
Energy: -0.12526910137013703
Energy: 0.42278851728151556
Energy: 0.23116461788177725
Energy: 0.20643360425595136
Energy: -0.12365170992288653
Energy: 0.2110399309501926
Energy: 0.37402982050179734
Energy: 0.05637205576415585
Energy: -0.10311441234241922
Energy: 0.04226575869327602
Energy: 0.17125134714962834
Energy: 0.21103993095226847
Energy: 0.3740298205028353
Energy: 0.056372055765193795
Energy: -0.10311441234449512

minimum gb energy = -0.12576306732067388 eV
minimum distance =  2.5252749928868 Angstroms
sigma value = 33