Model name: model_name=MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337405487055
mass=55.845
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: 0.014950013604003035
Energy: 0.015599574195993914
Energy: 0.01521388055564765
Energy: 1.5918181430733926
Energy: 0.01521388071545576
Energy: 0.015599574196229503
Energy: 0.014950013604003035
Energy: 0.015599574196465092
Energy: 0.01521388080869679
Energy: 1.591818143073864
Energy: 0.7097751382165178
Energy: 0.015469556699537009
Energy: 0.017103713787707413
Energy: 0.7053408554394207
Energy: 0.017103713788178595
Energy: 0.015469196539255513
Energy: 0.7097751382165178
Energy: 0.015469854007040523
Energy: 0.017103713788178595
Energy: 0.7053408554394207
Energy: 0.014950013604003035
Energy: 0.015599574195993914
Energy: 0.01521388044950156
Energy: 1.591818143073864
Energy: 0.015213880486593796
Energy: 0.01559957419670068
Energy: 0.014950013604003035
Energy: 0.01559957419670068
Energy: 0.015213880343826649
Energy: 1.5918181430740994
Energy: 0.7097751382165178
Energy: 0.015468791861198962
Energy: 0.017103713787707413
Energy: 0.7053408554391851
Energy: 0.017103713787707413
Energy: 0.015469740374810505
Energy: 0.7097751382162822
Energy: 0.015468751937861238
Energy: 0.017103713787943006
Energy: 0.7053408554391851
Energy: 0.014950013604003035
Energy: 0.015599574196465092
Energy: 0.0152138803537214
Energy: 1.5918181430733926
Energy: 0.015213880549914977
Energy: 0.015599574196465092
Energy: 0.014950013604003035
Energy: 0.01559957419670068
Energy: 0.015213880785451973
Energy: 1.591818143073864
Energy: 0.7097751382165178
Energy: 0.01546929899209028
Energy: 0.017103713787707413
Energy: 0.7053408554394207
Energy: 0.017103713787943006
Energy: 0.015468892201922855
Energy: 0.7097751382165178
Energy: 0.015469748994736878
Energy: 0.017103713787707413
Energy: 0.7053408554394207
Energy: 0.014950013604003035
Energy: 0.015599574196229503
Energy: 0.015213880456647769
Energy: 1.5918181430736282
Energy: 0.015213880378353577
Energy: 0.015599574196465092
Energy: 0.014950013603767444
Energy: 0.015599574196465092
Energy: 0.015213880319430061
Energy: 1.5918181430736282

minimum gb energy = 0.014950013603767444 eV
minimum distance =  2.33646559450192 Angstroms
sigma value = 3


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

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Energy: 1.501787629206488
Energy: 1.3826672908334432
Energy: 1.3908880018811536
Energy: 1.3438774685467907
Energy: 1.3275686201166035
Energy: 1.5142166524497265
Energy: 1.5017876285381087
Energy: 1.3826672910573476
Energy: 1.3908880018805894
Energy: 1.369345867629975
Energy: 1.308892245253247
Energy: 1.381558373302717
Energy: 1.438972566320435
Energy: 1.325433819756491
Energy: 1.3041631421977384
Energy: 1.3693458676311034
Energy: 1.3088922452515543
Energy: 1.3815583880919102
Energy: 1.4389725666092281
Energy: 1.3965690700473175
Energy: 1.3898482607353875
Energy: 1.309749770730889
Energy: 1.3495927787305169
Energy: 1.3274408371575144
Energy: 1.3156947028046426
Energy: 1.3965691397813131
Energy: 1.3898482607325664
Energy: 1.30974977072976
Energy: 1.3495927787293884
Energy: 1.3289271242628264
Energy: 1.3240874425483902
Energy: 1.2909991751792629
Energy: 1.3274094225269928
Energy: 1.285907860969806
Energy: 1.357209231980142
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Energy: 1.2909991751538714
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Energy: 1.422120445909185
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Energy: 1.3221550925655685
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Energy: 1.342669817225534
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Energy: 1.287863334710211
Energy: 1.3426739219041086
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Energy: 1.5319387891638698
Energy: 1.331765350435864
Energy: 1.3430875079222595
Energy: 1.3283032516337763
Energy: 1.318875415563304
Energy: 1.2917649619211478
Energy: 1.341997661618768
Energy: 1.3266805855646415
Energy: 1.3351344290508063
Energy: 1.4164998820680639
Energy: 1.285383172420815
Energy: 1.3232454197197951
Energy: 1.3419976616244105
Energy: 1.326680585563513
Energy: 1.335134429052499
Energy: 1.4164998820703207
Energy: 1.3653659537603484
Energy: 1.3420314394509192
Energy: 1.3215515163781053
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Energy: 1.3588650867191914
Energy: 1.280383541926908
Energy: 1.3653659537597844
Energy: 1.3420314394537403
Energy: 1.3215515163797977
Energy: 1.2804346980444268
Energy: 1.3392311807462687
Energy: 1.2921676566350693
Energy: 1.288791061404351
Energy: 1.6770828156555266
Energy: 1.290041952256443
Energy: 1.3747877985892272
Energy: 1.3392311807468327
Energy: 1.2921676565284774
Energy: 1.2887910614037865
Energy: 1.6770828156560909
Energy: 1.4348311080251728
Energy: 1.3724153646044925
Energy: 1.2768939052370218
Energy: 1.4000378048692383
Energy: 1.322186835208934
Energy: 1.3900629814796714
Energy: 1.434831140549867
Energy: 1.3724153651380167
Energy: 1.276893905253385
Energy: 1.400037309695893
Energy: 1.3755668404928347
Energy: 1.3548212554646688
Energy: 1.32733139318054
Energy: 1.4103059406553835
Energy: 1.3806949247479394
Energy: 1.3826672526337291
Energy: 1.3755668404917063
Energy: 1.3548212624159706
Energy: 1.3273313931760258
Energy: 1.410305940942433
Energy: 1.4389724622101334
Energy: 1.3254340100047624
Energy: 1.3041631421971742
Energy: 1.369345867627154
Energy: 1.30889224525099
Energy: 1.381541493926439
Energy: 1.4389724617910495
Energy: 1.3254340129962099
Energy: 1.3041631421960458
Energy: 1.3693458676254608
Energy: 1.3392311807462687
Energy: 1.327440833912257
Energy: 1.3156947028040782
Energy: 1.3965540889647612
Energy: 1.3898482607331304
Energy: 1.309749770726939
Energy: 1.3392311807468327
Energy: 1.3274408338096149
Energy: 1.3156947028029498
Energy: 1.3965545527735614
Energy: 1.3274094411677042
Energy: 1.2859078820757766
Energy: 1.3572724700783043
Energy: 1.328927124377882
Energy: 1.3240874425670106
Energy: 1.2909991764798587
Energy: 1.3274094417853013
Energy: 1.2859078816426377
Energy: 1.3572724700777399
Energy: 1.328927124384653

minimum gb energy = 1.2398402196125244 eV
minimum distance =  2.2638941390121 Angstroms
sigma value = 75


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

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Energy: 1.4048309221718729
Energy: 1.4105325203486367
Energy: 1.5165441480405015
Energy: 1.4783040853455796
Energy: 1.5102760300401463
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minimum gb energy = 1.2381327055099434 eV
minimum distance =  2.22079281291374 Angstroms
sigma value = 105


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

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Energy: 1.319470432715959
Energy: 1.3115602794815933
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Energy: 1.324196483034247
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Energy: 1.485718947608875
Energy: 1.3194704327168905
Energy: 1.3917772637002988
Energy: 1.5578552438748414
Energy: 1.3468867834344747
Energy: 1.3140666076199994
Energy: 1.3587282663418252
Energy: 1.3462297959458533
Energy: 1.391777263707132
Energy: 1.557855243876705
Energy: 1.3468867834344747
Energy: 1.3140666076215521
Energy: 1.3500178162891125
Energy: 1.6119626628723445
Energy: 1.6823980413518558
Energy: 1.5483238801337214
Energy: 1.2657471284181343
Energy: 1.395966390857883
Energy: 1.3500178165853207
Energy: 1.6119626628735868
Energy: 1.6823980413521664
Energy: 1.5483238806329551
Energy: 1.4773766192271154
Energy: 1.3530724164186736
Energy: 1.423411819451211
Energy: 1.1849589762100536
Energy: 1.3443110268602558
Energy: 1.447482293259547
Energy: 1.4773766192271154
Energy: 1.3530724164186736
Energy: 1.423411819451211
Energy: 1.1849589762103643
Energy: 1.2972501771813367
Energy: 1.3493656313669324
Energy: 1.2543534726242962
Energy: 1.310759543776213
Energy: 1.476854159822274
Energy: 1.1880592742802234
Energy: 1.297250176718416
Energy: 1.349365631368175
Energy: 1.2543534717599554
Energy: 1.310759543776213
Energy: 1.3231038790506993
Energy: 1.299739979590202
Energy: 1.3738388197456366
Energy: 1.2177635048725723
Energy: 1.345813070252756
Energy: 1.3269207468258863
Energy: 1.3231038790494565
Energy: 1.299739979591755
Energy: 1.3738388197437732
Energy: 1.2177635049132622
Energy: 1.3847510665864577
Energy: 1.4215995652049978
Energy: 1.3713329903616673
Energy: 1.3624264110798185
Energy: 1.2594538496135812
Energy: 1.361081863192998
Energy: 1.3847510653967392
Energy: 1.4215995652059297
Energy: 1.3713329903632205
Energy: 1.3624264110810609

minimum gb energy = 1.0858530646319784 eV
minimum distance =  2.24675455526747 Angstroms
sigma value = 165


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

Energy: 1.4443402477477154
Energy: 1.6340211695580478
Energy: 1.3372654452725832
Energy: 1.4302493912216896
Energy: 1.361974746182252
Energy: 1.6343262340702238
Energy: 1.444340247749848
Energy: 1.6340211695569813
Energy: 1.3372654452725832
Energy: 1.4302493912216896
Energy: 1.2389799157893366
Energy: 1.4195779832505793
Energy: 1.3333974815083836
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Energy: 1.2410663243397215
Energy: 1.242323341495459
Energy: 1.4077220577674272
Energy: 1.3251228795230947
Energy: 1.2700570940195397
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Energy: 1.2443071566858062
Energy: 1.2305694970704097
Energy: 1.24752991125742
Energy: 1.3542969266810025
Energy: 1.6254227279095175
Energy: 1.2597707203354134
Energy: 1.4292239586791633
Energy: 1.3330944675023042
Energy: 1.5687990744970104
Energy: 1.3542969266810025
Energy: 1.6254227279095175
Energy: 1.259770720340745
Energy: 1.4292239465411547
Energy: 1.303963222541063
Energy: 1.3100087492605121
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Energy: 1.4102689012522354
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Energy: 1.4277881616833374
Energy: 1.3039632181646426
Energy: 1.3100087492658437
Energy: 1.4225162480634856
Energy: 1.410268901251169
Energy: 1.2635540881576446
Energy: 1.3774990044071775
Energy: 1.2682791889999088
Energy: 1.2419301325788832
Energy: 1.235959458609808
Energy: 1.261858641725364
Energy: 1.2635540881576446
Energy: 1.3774990044082438
Energy: 1.2682791889999088
Energy: 1.2419301325778171
Energy: 1.2554670366829235
Energy: 1.3251228795220285
Energy: 1.4095221448582678
Energy: 1.2446033240099785
Energy: 1.3248728358009991
Energy: 1.2309416020773327
Energy: 1.2554670366615968
Energy: 1.3251228795220285
Energy: 1.409522144859334
Energy: 1.2446033240099785
Energy: 1.2447907895931192
Energy: 1.3338591214495903
Energy: 1.261367825298794
Energy: 1.2426794408951845
Energy: 1.2442751761493458
Energy: 1.2224253934646958
Energy: 1.244790789595252
Energy: 1.3338591214495903
Energy: 1.2613678252977276
Energy: 1.2426794408951845
Energy: 1.4376618693147607
Energy: 1.3619747461833185
Energy: 1.6343262340702238
Energy: 1.4443402476912484
Energy: 1.6340211695569813
Energy: 1.3372654452672514
Energy: 1.4376618693147607
Energy: 1.3619747461833185
Energy: 1.6343262340702238
Energy: 1.444340247693381

minimum gb energy = 1.2221552514929939 eV
minimum distance =  2.23300083445164 Angstroms
sigma value = 41


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

Energy: 2.1588017297123354
Energy: 1.6152019087490053
Energy: 1.1948644320581177
Energy: 1.4008465227106774
Energy: 1.2214664017399102
Energy: 1.5414981396448935
Energy: 2.1588017297119215
Energy: 1.6152019087502465
Energy: 1.19486443511711
Energy: 1.4008465228818856
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Energy: 1.4000180436615473
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Energy: 1.390396668406654
Energy: 1.349008669424019
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Energy: 1.1582546076547091
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Energy: 1.3934100123696052
Energy: 1.2061990755354457
Energy: 1.1582546584482902
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Energy: 1.3739199181789368
Energy: 1.3287703139205813
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Energy: 1.17456256082444
Energy: 1.1755990179363636
Energy: 1.2163658450146642
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Energy: 1.6079107469534986
Energy: 1.2338012561494343
Energy: 1.2195029265856023
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Energy: 1.3639118263426648
Energy: 1.3749942718996433
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Energy: 1.2338002156928864
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Energy: 1.9878722360206706
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Energy: 1.625228853578253
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Energy: 1.2976535094522599
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Energy: 1.3427491092898733
Energy: 1.4029803355957673
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Energy: 1.2976258156931348
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Energy: 1.2109571247229578
Energy: 1.2166755291183775
Energy: 1.243478292370832
Energy: 1.1758372667909285
Energy: 1.1816406452592627
Energy: 1.2434782923716596
Energy: 1.3686636567452934
Energy: 1.488603362690157
Energy: 1.2339714719155181
Energy: 1.199957456924369
Energy: 1.3997808719510911
Energy: 1.4091455390886507
Energy: 1.3686636567465345
Energy: 1.4886033626922255
Energy: 1.2339714365285301
Energy: 1.1999574569251965
Energy: 1.2015248840720942
Energy: 1.2621214143658754
Energy: 1.2819712807948478
Energy: 1.5152456948700386
Energy: 1.3724721738497208
Energy: 1.34211372441647
Energy: 1.2064984764862774
Energy: 1.2621214190294179
Energy: 1.284118107987289
Energy: 1.515245694869625
Energy: 1.3356088422375767
Energy: 1.2195029265860158
Energy: 1.3311154888849377
Energy: 1.3549835056142372
Energy: 1.3748229576616948
Energy: 1.3669550011251719
Energy: 1.3356088422363352
Energy: 1.2195029265851884
Energy: 1.3311154887815437
Energy: 1.3549835056092725
Energy: 1.2185944684923502
Energy: 1.216365845016319
Energy: 1.1770010188525495
Energy: 1.1750812519593197
Energy: 1.2680101679387288
Energy: 1.2116837100835305
Energy: 1.2185944692553403
Energy: 1.2163658450159052
Energy: 1.1770010188517221
Energy: 1.1750812519584923
Energy: 1.3654153159004974
Energy: 1.3139064943030463
Energy: 1.2495403936693086
Energy: 1.1481191437750677
Energy: 1.2000629587847764
Energy: 1.394030356139394
Energy: 1.3654153159009115
Energy: 1.3139064948625572
Energy: 1.2496624025291057
Energy: 1.1481191437750677
Energy: 1.1727465988432806
Energy: 1.3734656789090156
Energy: 1.461809175060173
Energy: 1.7163508941468002
Energy: 1.6087390557839627
Energy: 1.3544112412603977
Energy: 1.1727498821324684
Energy: 1.3734656789094293
Energy: 1.4618091135007858
Energy: 1.7163505758206374
Energy: 1.3664534976216383
Energy: 1.3365713239092107
Energy: 1.5076118895349844
Energy: 1.344355949256002
Energy: 1.5271042528472878
Energy: 1.3754205909097135
Energy: 1.3664534976220521
Energy: 1.3365713239092107
Energy: 1.5076118895180592
Energy: 1.3443559492708959

minimum gb energy = 1.143250718132373 eV
minimum distance =  2.26711265045075 Angstroms
sigma value = 185


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

Energy: 1.923881752888667
Energy: 1.265904193056824
Energy: 1.4539983789242046
Energy: 1.5350273569022848
Energy: 1.453823345014495
Energy: 1.1515392163365288
Energy: 1.923881752888667
Energy: 1.2659041675143936
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Energy: 1.5249966639760786
Energy: 1.6181506772825218
Energy: 1.4115702315027916
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Energy: 1.1864571783529307
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Energy: 1.2940935864259606
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Energy: 1.3343164635555993
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Energy: 1.5090123416175703
Energy: 1.4492336872411584
Energy: 1.4397121659775847
Energy: 1.3010431801164493
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Energy: 1.3276074525623358
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Energy: 1.3010431801179225
Energy: 1.1926302650726113
Energy: 1.272095253835398
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Energy: 1.4854181562413096
Energy: 1.5496128182103246
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Energy: 1.5496128182113067
Energy: 1.5250020164190516
Energy: 1.4534301716072138
Energy: 1.2991647448412622
Energy: 1.8354126195927334
Energy: 1.2659046273414074
Energy: 1.4539983789688962
Energy: 1.5250199682520242
Energy: 1.4534301715527442
Energy: 1.2991648715548854
Energy: 1.8354126195927334
Energy: 1.1864571810096924
Energy: 1.2158943050401927
Energy: 1.2649137711974143
Energy: 1.5765760585422957
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Energy: 1.3016069494711189
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Energy: 1.2158943055959133
Energy: 1.2649137704218079
Energy: 1.5765760585408224
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Energy: 1.2319122101682953
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Energy: 1.3125735129928822
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Energy: 1.2996968095759442
Energy: 1.5786754250640724
Energy: 1.3815300367131396
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Energy: 1.232164354197603
Energy: 1.2940463302096588
Energy: 1.2996968095813464
Energy: 1.5786754250640724
Energy: 1.3815300367121575
Energy: 1.4381879211043818
Energy: 1.5312079349967302
Energy: 1.5861494667747082
Energy: 1.6782504912282534
Energy: 1.292989399177249
Energy: 1.1974432756310147
Energy: 1.4381879211019264
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Energy: 1.5861494667938616
Energy: 1.678250491227271
Energy: 1.3030452546362925
Energy: 1.1689762944699824
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Energy: 1.4563456534771497
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Energy: 1.3150453392971602
Energy: 1.342807642118504
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Energy: 1.1556018420109408
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Energy: 1.5123362779863079
Energy: 1.4504765047010153
Energy: 1.3428076421072082
Energy: 1.3631383274559599
Energy: 1.1556018420119232
Energy: 1.3030494023473218
Energy: 1.2628041257658789
Energy: 1.5161683094539993
Energy: 1.4627752730888695
Energy: 1.4366047884314448
Energy: 1.276431046288885
Energy: 1.2972337294984833
Energy: 1.2628041252577966
Energy: 1.5161715026783882
Energy: 1.4627752731094965
Energy: 1.4366047884319357
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Energy: 1.4890547026380332
Energy: 1.2468499310428114
Energy: 1.2939444787002006
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Energy: 1.4890547025143166
Energy: 1.2468499290532096
Energy: 1.2939444787002006
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Energy: 1.1570969939937268
Energy: 1.3218377410734778
Energy: 1.4492336872406673
Energy: 1.348908042496616
Energy: 1.3010431801179225
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Energy: 1.1570969939976559
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Energy: 1.2980154707819724
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Energy: 1.2659045398652642
Energy: 1.4539983789659496
Energy: 1.5376641770335835
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Energy: 1.1581813159229586
Energy: 1.923881752888667
Energy: 1.2659046399476521
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Energy: 1.5376392983285925
Energy: 1.6181506772756462
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Energy: 1.4474947419925348
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Energy: 1.373729159843806
Energy: 1.3226067057686721
Energy: 1.1920946103782915
Energy: 1.2940935864259606
Energy: 1.2516795454091538
Energy: 1.57971719808111
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Energy: 1.3226067057249629
Energy: 1.1920946103949894
Energy: 1.2940935864254695
Energy: 1.6782504912312
Energy: 1.2929893991782313
Energy: 1.1961283661824165
Energy: 1.4381879210194637
Energy: 1.4512034233745748
Energy: 1.4600482971198308
Energy: 1.6782504912316911
Energy: 1.2929893991777401
Energy: 1.1961370170277226
Energy: 1.43818792101799
Energy: 1.3150453380453488
Energy: 1.4563456536175645
Energy: 1.3721164731905993
Energy: 1.3030452546358013
Energy: 1.1597580115097983
Energy: 1.3636016297414182
Energy: 1.3150453380605736
Energy: 1.456345653616091
Energy: 1.3721164731920725
Energy: 1.3030452546367837
Energy: 1.3030456218307533
Energy: 1.441318565859722
Energy: 1.4540309937923137
Energy: 1.3428076420075563
Energy: 1.3491394535707555
Energy: 1.1556018420065208
Energy: 1.3030456218302622
Energy: 1.4413185658823136
Energy: 1.4540309940480514
Energy: 1.3428076420051007
Energy: 1.436604788432918
Energy: 1.2449741997564105
Energy: 1.2963244177058888
Energy: 1.4696418451796969
Energy: 1.5111404810497648
Energy: 1.4720254634353498
Energy: 1.436604788432427
Energy: 1.2450816179683024
Energy: 1.2963244176739666
Energy: 1.46964184515465
Energy: 1.2939444787002006
Energy: 1.2443255396031143
Energy: 1.3343164632350342
Energy: 1.5119118491454346
Energy: 1.562225154337744
Energy: 1.2468499372158774
Energy: 1.2939444786987273
Energy: 1.2443109861448967
Energy: 1.334316463238472
Energy: 1.502174942927709
Energy: 1.4492336872416494
Energy: 1.4397121659815137
Energy: 1.3010431801174314
Energy: 1.1926302650696645
Energy: 1.15709699399078
Energy: 1.3276074526001074
Energy: 1.4492336872406673
Energy: 1.4397121659712002
Energy: 1.301043180118414
Energy: 1.1926302650706468
Energy: 1.2720952538383445
Energy: 1.294016967000536
Energy: 1.4854181562363984
Energy: 1.5496128182103246
Energy: 1.2649137645192576
Energy: 1.2259724882400922
Energy: 1.2720952538260668
Energy: 1.2940169669985717
Energy: 1.4854181562349251
Energy: 1.5496128182093423

minimum gb energy = 1.1515392163365288 eV
minimum distance =  2.2264315018033 Angstroms
sigma value = 33


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

Energy: 1.4911908856343679
Energy: 1.3081878852936102
Energy: 1.43424086588718
Energy: 1.5414578999904267
Energy: 1.4438205770659547
Energy: 1.3538560045670271
Energy: 1.491190885634907
Energy: 1.3081878853512818
Energy: 1.4342408658639936
Energy: 1.5414578983511307
Energy: 1.583749610246677
Energy: 1.515831778102787
Energy: 1.2901629701395545
Energy: 1.2532609690106613
Energy: 1.2663052298110438
Energy: 1.3162186475391144
Energy: 1.5837496103302067
Energy: 1.5158317781044046
Energy: 1.2901629726441732
Energy: 1.2532609690103917
Energy: 1.3181973299442593
Energy: 1.236673670061674
Energy: 1.4527396356156466
Energy: 1.4264257767610262
Energy: 1.261464081518955
Energy: 1.2394605789895496
Energy: 1.3181904334176897
Energy: 1.2366736700627525
Energy: 1.4527396356145683
Energy: 1.4264257770062478
Energy: 1.2265897068150178
Energy: 1.237132533115693
Energy: 1.223905546963125
Energy: 1.466983842795446
Energy: 1.296963003767848
Energy: 1.4848211722325517
Energy: 1.2265897068327876
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Energy: 1.223905546962586
Energy: 1.4669838427957156
Energy: 1.2147322090540953
Energy: 1.2380342613032098
Energy: 1.2502104641713663
Energy: 1.5707912341416879
Energy: 1.3107949291367025
Energy: 1.4678035731415608
Energy: 1.214732209054365
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Energy: 1.2502104641710967
Energy: 1.570791234142227
Energy: 1.3969801603420453
Energy: 1.2395106475815665
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Energy: 1.276280778970974
Energy: 1.321573698798582
Energy: 1.2466365701573963
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Energy: 1.4735659509024883
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Energy: 1.2346959717994308
Energy: 1.449085798138188
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Energy: 1.3952745989351205
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Energy: 1.2440604429010325
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Energy: 1.3952745986373496
Energy: 1.266290189002891
Energy: 1.3029284803541898
Energy: 1.4612292812441297
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Energy: 1.5250762955308657
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Energy: 1.461229281243321
Energy: 1.2385552962582673
Energy: 1.2330486577189501
Energy: 1.257982864961257
Energy: 1.4100550920197188
Energy: 1.4037832640180532
Energy: 1.2315901396071838
Energy: 1.5612574390050435
Energy: 1.2342268492425659
Energy: 1.2579828649617966
Energy: 1.4100550920197188
Energy: 1.4037832640185923
Energy: 1.2315901396074531
Energy: 1.2670278901373466
Energy: 1.256923295486624
Energy: 1.48010907087734
Energy: 1.33254442655883
Energy: 1.5861709991368198
Energy: 1.307283946145621
Energy: 1.267027890137886
Energy: 1.2569232954860852
Energy: 1.4801090708762616
Energy: 1.3325444265580213
Energy: 1.4215959198267774
Energy: 1.5943829271931818
Energy: 1.435875743938951
Energy: 1.3001243208111988
Energy: 1.4483970389365004
Energy: 1.344033638697034
Energy: 1.4215959198275863
Energy: 1.5943829271945298
Energy: 1.4358757439386813
Energy: 1.3001243208109292
Energy: 1.4280242256142397
Energy: 1.2549445866810227
Energy: 1.2770042479689105
Energy: 1.229983011065603
Energy: 1.3013609639943906
Energy: 1.29161974167294
Energy: 1.4280242256134308
Energy: 1.2549445866823707
Energy: 1.27700424796918
Energy: 1.2299830110637158
Energy: 1.2730145223040497
Energy: 1.5033197791708341
Energy: 1.2899750870427744
Energy: 1.2354848658022255
Energy: 1.21303652213878
Energy: 1.2367914656685055
Energy: 1.2730145232442986
Energy: 1.5033197791713735
Energy: 1.289975086902921
Energy: 1.2354848658008772
Energy: 1.222107158861518
Energy: 1.4682584723852778
Energy: 1.353555759928853
Energy: 1.439608880094409
Energy: 1.4014903331580923
Energy: 1.2325105657854172
Energy: 1.2221071588620573
Energy: 1.468258472384739
Energy: 1.3535557599350538
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Energy: 1.5132138437796547
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Energy: 1.2448508243869536
Energy: 1.59328376584607
Energy: 1.5132152482498265
Energy: 1.438210049811178
Energy: 1.459791256272895
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Energy: 1.2309609825913355
Energy: 1.2570813758379287
Energy: 1.2070125826522498
Energy: 1.4382100498106392
Energy: 1.4597912562747821
Energy: 1.2143650599574811
Energy: 1.2309609825913355
Energy: 1.4982038074409372
Energy: 1.4244174234312164
Energy: 1.181074005930558
Energy: 1.2393715110138965
Energy: 1.261148472275699
Energy: 1.2515838473978458
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Energy: 1.4244174234306775
Energy: 1.1810740059254354
Energy: 1.2393715110249506
Energy: 1.2110014510375724
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Energy: 1.5758026125037625
Energy: 1.211001450887719
Energy: 1.4600015620460645
Energy: 1.432106479383506
Energy: 1.2527891882392466

minimum gb energy = 1.1743968019319098 eV
minimum distance =  2.24767126403969 Angstroms
sigma value = 219


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

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Energy: 1.1793608034795668
Energy: 1.196809127343962
Energy: 1.4922726071998587
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Energy: 1.2666975660450877
Energy: 1.2349788110104658
Energy: 1.116227598167939
Energy: 1.4944934575433273
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Energy: 1.2070236063133808
Energy: 1.1774041267998285
Energy: 1.170750715857299
Energy: 1.1618758209856823
Energy: 1.169769963544445
Energy: 1.1165520024318183
Energy: 1.1796903549214948
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Energy: 1.170750715857299
Energy: 1.1618758209838977
Energy: 1.1697699635426606
Energy: 1.1892299076938504
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Energy: 1.1760113390806366
Energy: 1.3326796997445662
Energy: 1.232953368600128
Energy: 1.1790245293190176
Energy: 1.1892299076938504
Energy: 1.2044115190308196
Energy: 1.1760113390806366
Energy: 1.3326796997445662

minimum gb energy = 1.116227598167939 eV
minimum distance =  2.2342885596457 Angstroms
sigma value = 15


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

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Energy: 1.3935185098613145
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Energy: 1.406296270254403
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minimum gb energy = 1.3519043202593433 eV
minimum distance =  2.26457367575511 Angstroms
sigma value = 293


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

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Energy: 1.4110316621479204
Energy: 1.4948643573070253
Energy: 1.404119352131431
Energy: 1.3919962538435986
Energy: 1.4269843613164201
Energy: 1.570534368632439
Energy: 1.4110316621479204
Energy: 1.4948643573062192
Energy: 1.404119352131028
Energy: 1.3919962538423896
Energy: 1.6020853524663052
Energy: 1.500235533646957
Energy: 1.427371349895964
Energy: 1.8918904582203917
Energy: 1.4305872537276985
Energy: 1.5168446804057787
Energy: 1.6020853524840388
Energy: 1.5002355336300297
Energy: 1.42737134989677
Energy: 1.8918904582199885
Energy: 1.4183050990446755
Energy: 1.5752553333639971
Energy: 1.4267046923958535
Energy: 1.3918132038792494
Energy: 1.404116221311962
Energy: 1.500412443286413
Energy: 1.4183050990438695
Energy: 1.5752553333644006
Energy: 1.4267046923954503
Energy: 1.3918132038796525
Energy: 1.4508709789749672
Energy: 1.3634226852734144
Energy: 1.4614730382472874
Energy: 1.4547968838681846
Energy: 1.4980548515065948
Energy: 1.3564395090694663
Energy: 1.4508709789753702
Energy: 1.3634226852512474
Energy: 1.4614730382533327
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Energy: 1.4966353395965961
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Energy: 1.3603247566891508
Energy: 1.496635339596999
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Energy: 1.3893791662999486
Energy: 1.5006029659360465
Energy: 1.4791923538871736
Energy: 1.442134838454899
Energy: 1.5969763358959652
Energy: 1.3608366717080844
Energy: 1.389379166305188
Energy: 1.5006029659360465
Energy: 1.4791923538875764
Energy: 1.4421348384557051
Energy: 1.3666178426286648
Energy: 1.4398971222204084
Energy: 1.4506801213697034
Energy: 1.495046539678078
Energy: 1.4317803657274155
Energy: 1.4651111980922071
Energy: 1.3666178426290676
Energy: 1.4398971222191994
Energy: 1.4506801213697034
Energy: 1.49504653956248
Energy: 1.4554693437518702
Energy: 1.4167504349716276
Energy: 1.471640510301609
Energy: 1.5185827418234414
Energy: 1.3665317227030824
Energy: 1.4462091285720646
Energy: 1.455469343752273
Energy: 1.4167504349708213
Energy: 1.4716405103008028
Energy: 1.518946773427717
Energy: 1.4550018369018107
Energy: 1.4219368152687264
Energy: 1.4219734779742705
Energy: 1.4380031963061162
Energy: 1.3633736268483794
Energy: 1.3890182473770014
Energy: 1.455001836902617
Energy: 1.4219368152691299
Energy: 1.4219734779750766
Energy: 1.4380031963061162
Energy: 1.6002595677172367
Energy: 1.4855169776942538
Energy: 1.4181849382995613
Energy: 1.4549937251928147
Energy: 1.4292980380478293
Energy: 1.3690932177878536
Energy: 1.6002595690019312
Energy: 1.4855169776938508
Energy: 1.4181849387878205
Energy: 1.4549937251924119
Energy: 1.5056413600938368
Energy: 1.4504326026154175
Energy: 1.4183743551299104
Energy: 1.3665737234435682
Energy: 1.4558261463982483
Energy: 1.4764413349731735
Energy: 1.5056413600982703
Energy: 1.4504326026154175
Energy: 1.4183743551311194
Energy: 1.3665737234415531
Energy: 1.3774778376872874
Energy: 1.485238202427705
Energy: 1.5006029659364493
Energy: 1.3720005079178257
Energy: 1.3616420377588583
Energy: 1.5969763358955618
Energy: 1.3774778376184051
Energy: 1.4852382024273019
Energy: 1.5006029659364493
Energy: 1.372000507905332
Energy: 1.5533205961954035
Energy: 1.503650984767323
Energy: 1.3680075362161717
Energy: 1.4669627733364379
Energy: 1.4667331748876569
Energy: 1.4212837128973863
Energy: 1.5533205961950005
Energy: 1.503650984767323
Energy: 1.3680075378682877
Energy: 1.466962773443609

minimum gb energy = 1.3564062801755143 eV
minimum distance =  2.21862258585062 Angstroms
sigma value = 293


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

Energy: 1.160113413083858
Energy: 1.2385617686840895
Energy: 1.2632757842977467
Energy: 1.6480949714251516
Energy: 1.263928593312858
Energy: 1.2446810851838552
Energy: 1.1601134130831294
Energy: 1.2385617686731627
Energy: 1.2632757842977467
Energy: 1.6480949714266089
Energy: 1.2426831411624744
Energy: 1.5538369250435615
Energy: 1.256410275398936
Energy: 1.249512264279785
Energy: 1.7378562691450594
Energy: 1.2687858333510542
Energy: 1.2426831411632029
Energy: 1.5538369250450184
Energy: 1.256410275398936
Energy: 1.2495122642812417
Energy: 1.2316145707430886
Energy: 1.1584736974541208
Energy: 1.7054340220739252
Energy: 1.250221575940862
Energy: 1.2711358647828597
Energy: 1.2121691571617332
Energy: 1.2316145707438173
Energy: 1.1584736974533925
Energy: 1.7054340220739252
Energy: 1.2502215759401334
Energy: 1.6997755714977545
Energy: 1.1614280660675163
Energy: 1.2306732960529831
Energy: 1.2121649423422909
Energy: 1.2838853074935108
Energy: 1.2384730954608822
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Energy: 1.1614280660667877
Energy: 1.2306732960529831
Energy: 1.2121649423415621
Energy: 1.2044788478078416
Energy: 1.6992374249073348
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Energy: 1.2044788472369736
Energy: 1.6992373670239964
Energy: 1.2388954959683722
Energy: 1.2637997678763853
Energy: 1.2639285933135866
Energy: 1.244681085186769
Energy: 1.160113413083858
Energy: 1.2385617686717059
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Energy: 1.244681085186769
Energy: 1.1601134130831294
Energy: 1.2385617686615407
Energy: 1.7378562691436026
Energy: 1.2687858333503257
Energy: 1.242683141160289
Energy: 1.5538369250450184
Energy: 1.256410275398936
Energy: 1.2495122642805134
Energy: 1.7378562691443311
Energy: 1.2687858333517825
Energy: 1.2426831411617456
Energy: 1.5538369250457469
Energy: 1.2711358647908726
Energy: 1.2121691571610045
Energy: 1.2316145707438173
Energy: 1.1584736974541208
Energy: 1.7054340220739252
Energy: 1.250221575940862
Energy: 1.2711358647923294
Energy: 1.2121691571617332
Energy: 1.2316145707438173
Energy: 1.1584736974541208
Energy: 1.2838853254009013
Energy: 1.2384730954608822
Energy: 1.6997755714977545
Energy: 1.1614280660660594
Energy: 1.230673296053712
Energy: 1.2121649423422909
Energy: 1.2838853200681657
Energy: 1.2384730954616108
Energy: 1.699775571497026
Energy: 1.1614280660667877
Energy: 1.7271442090034477
Energy: 1.605707297607116
Energy: 1.204478848956067
Energy: 1.884613271436777
Energy: 1.238895495967644
Energy: 1.2637997678734714
Energy: 1.7271442090034477
Energy: 1.60570729763185
Energy: 1.2044788481762685
Energy: 1.884613271423665
Energy: 1.2632757842984754
Energy: 1.6224064097078894
Energy: 1.263928593312858
Energy: 1.244681085188226
Energy: 1.160113413083858
Energy: 1.238561768652071
Energy: 1.2632757842977467
Energy: 1.622406409707161
Energy: 1.2639285933121296
Energy: 1.244681085188226
Energy: 1.256410275398936
Energy: 1.249512264279785
Energy: 1.7378562691443311
Energy: 1.26878583334814
Energy: 1.2426831411581039
Energy: 1.5538369250450184
Energy: 1.256410275398936
Energy: 1.2495122642819705
Energy: 1.7378562691443311
Energy: 1.2687858333488689
Energy: 1.7054340220739252
Energy: 1.2502215759401334
Energy: 1.2711358648105406
Energy: 1.2121691571610045
Energy: 1.2316145707430886
Energy: 1.1584736974533925
Energy: 1.7054340220739252
Energy: 1.250221575940862
Energy: 1.271135864822924
Energy: 1.2121691571617332
Energy: 1.2306732960522546
Energy: 1.2121649423415621
Energy: 1.2838853422809215
Energy: 1.2384730954608822
Energy: 1.699775571497026
Energy: 1.1614280660660594
Energy: 1.2306732960522546
Energy: 1.2121649423422909
Energy: 1.283885348848567
Energy: 1.2384730954608822
Energy: 1.238895495967644
Energy: 1.2637997678771136
Energy: 1.7271442090034477
Energy: 1.5635426931742176
Energy: 1.2044788476905954
Energy: 1.9618900253176967
Energy: 1.2388954959683722
Energy: 1.2637997678734714
Energy: 1.7271442090027194
Energy: 1.5635426931742176
Energy: 1.1601134130831294
Energy: 1.23856176863386
Energy: 1.2632757842984754
Energy: 1.5340481445534824
Energy: 1.2639285933143147
Energy: 1.244681085189683
Energy: 1.160113413083858
Energy: 1.2385617686382309
Energy: 1.2632757842977467
Energy: 1.534048144552754
Energy: 1.242683141153733
Energy: 1.5538369250435615
Energy: 1.256410275398936
Energy: 1.249512264279785
Energy: 1.7378562691443311
Energy: 1.2687858333532391
Energy: 1.242683141152276
Energy: 1.5538369250450184
Energy: 1.2564102753982074
Energy: 1.2495122642812417
Energy: 1.2316145707438173
Energy: 1.1584736974533925
Energy: 1.7054340220739252
Energy: 1.2502215759401334
Energy: 1.2711358648367643
Energy: 1.2121691571610045
Energy: 1.2316145707438173
Energy: 1.1584736974533925
Energy: 1.7054340220739252
Energy: 1.250221575940862
Energy: 1.699775571497026
Energy: 1.1614280660660594
Energy: 1.2306732960522546
Energy: 1.2121649423415621
Energy: 1.2838853623034798
Energy: 1.2384730954608822
Energy: 1.699775571497026
Energy: 1.1614280660660594
Energy: 1.2306732960529831
Energy: 1.2121649423422909
Energy: 1.204478849008515
Energy: 1.961890025316968
Energy: 1.2388954959669154
Energy: 1.2637997678785704
Energy: 1.7271442090027194
Energy: 1.5635426931771312
Energy: 1.2044788482199418
Energy: 1.9618900253176967
Energy: 1.238895495967644
Energy: 1.2637997678756567
Energy: 1.2639285933135866
Energy: 1.2446810851911398
Energy: 1.1601134130831294
Energy: 1.2385617686265753
Energy: 1.2632757842984754
Energy: 1.5340481445534824
Energy: 1.2639285933135866
Energy: 1.2446810851925967
Energy: 1.160113413083858
Energy: 1.238561768614192
Energy: 1.7378562691443311
Energy: 1.268785833359067
Energy: 1.242683141152276
Energy: 1.5538369250450184
Energy: 1.256410275398936
Energy: 1.2495122642819705
Energy: 1.7378562691443311
Energy: 1.2687858333539679
Energy: 1.2426831411515475
Energy: 1.5538369250450184

minimum gb energy = 1.1584736974533925 eV
minimum distance =  2.26151526799573 Angstroms
sigma value = 15


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

Energy: 1.6045258181620274
Energy: 1.4088161929006808
Energy: 1.35567880819558
Energy: 1.7803252418822766
Energy: 1.3543421141345453
Energy: 1.3758572291263909
Energy: 1.6045258181253754
Energy: 1.4088161927102443
Energy: 1.3556788081962403
Energy: 1.7803252418826068
Energy: 1.4527637788874155
Energy: 1.3940267245672457
Energy: 1.3591803876666273
Energy: 1.3537657049308292
Energy: 1.352583791009094
Energy: 1.3354737387973525
Energy: 1.4527637788893968
Energy: 1.3940267245527167
Energy: 1.3591803876689383
Energy: 1.3537657049295084
Energy: 1.4168268195971183
Energy: 1.3239333095607064
Energy: 1.5500993249730772
Energy: 1.361182454799097
Energy: 1.3671171975714707
Energy: 1.6047183375418712
Energy: 1.4168268195974487
Energy: 1.323933309561697
Energy: 1.5500993249720867
Energy: 1.361182454796455
Energy: 1.4454562573952938
Energy: 1.3237146706530087
Energy: 1.3998861906039954
Energy: 1.4330225938374856
Energy: 1.432687698436722
Energy: 1.3225068448388217
Energy: 1.4454562573946335
Energy: 1.3237146706523486
Energy: 1.3998861906043256
Energy: 1.4330225938378158
Energy: 1.3428329437172333
Energy: 1.5390398831603247
Energy: 1.3132388806835325
Energy: 1.4254051756057806
Energy: 1.3683517964418317
Energy: 1.3195116332203418
Energy: 1.3428329437195448
Energy: 1.5390398831603247
Energy: 1.3132388806934083
Energy: 1.4254051756047899
Energy: 1.3406924520597487
Energy: 1.464041257209111
Energy: 1.528297608417145
Energy: 1.3580068097650912
Energy: 1.3566816334790528
Energy: 1.549233428463518
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Energy: 1.3580068093607736
Energy: 1.4436750330363055
Energy: 1.333052498113288
Energy: 1.3461500379844935
Energy: 1.3900564020908623
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Energy: 1.364966295092112
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Energy: 1.3330524974237958
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Energy: 1.4549590631805527
Energy: 1.334597701396555
Energy: 1.3594024914927627
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Energy: 1.6154386637802574
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Energy: 1.3741464892736432
Energy: 1.3503513010264296
Energy: 1.4148008027975723
Energy: 1.4769260092128984
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Energy: 1.333837564271329
Energy: 1.3195367184513638
Energy: 1.3503513010267603
Energy: 1.4148008031434738
Energy: 1.476926009212238
Energy: 1.3447995349371618
Energy: 1.4985613962444544
Energy: 1.358171376593629
Energy: 1.3297826945499405
Energy: 1.5087642943403354
Energy: 1.344578213423954
Energy: 1.3686505294972906
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Energy: 1.3297826897271867
Energy: 1.5087642943376938
Energy: 1.333616251029807
Energy: 1.4438110400369757
Energy: 1.3279042491543092
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Energy: 1.4123147859183183
Energy: 1.3743928389551137
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Energy: 1.4438109057736528
Energy: 1.3279042485123658
Energy: 1.5084979538061152
Energy: 1.3346248122500115
Energy: 1.3493864312164083
Energy: 1.560094046712168
Energy: 1.319818300019315
Energy: 1.425706368877252
Energy: 1.3665588479520092
Energy: 1.3346248122447284
Energy: 1.34938643410868
Energy: 1.5600940467138191
Energy: 1.3198183000183246
Energy: 1.4647218058375444
Energy: 1.3471243342205008
Energy: 1.5041854589100419
Energy: 1.3353736435957833
Energy: 1.3484703634114046
Energy: 1.3577828426028777
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Energy: 1.34712433421885
Energy: 1.5041854589116928
Energy: 1.335373643322166
Energy: 1.3898085304487282
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Energy: 1.320175143933908
Energy: 1.3694544942973186
Energy: 1.3912495230131618
Energy: 1.3643104804716952
Energy: 1.3898085304490584
Energy: 1.5358952282348748
Energy: 1.3201751439593035
Energy: 1.3694544812802358
Energy: 1.3514575162953666
Energy: 1.5560508216498892
Energy: 1.672587460476757
Energy: 1.35613433197092
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Energy: 1.41979257811022
Energy: 1.3514575162953666
Energy: 1.5560508216498892
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Energy: 1.3561343319692694
Energy: 1.3105879303275776
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Energy: 1.440819803031619
Energy: 1.4177881643411028
Energy: 1.3440691863611856
Energy: 1.3906035457678172
Energy: 1.3105879303295587
Energy: 1.3570944842740136
Energy: 1.44081980303294
Energy: 1.4177881643526598
Energy: 1.382033499808828
Energy: 1.3885237947709557
Energy: 1.3338748574969
Energy: 1.3447528766795973
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Energy: 1.3586174307110748
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Energy: 1.3515347835473437
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Energy: 1.3073592680609303
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Energy: 1.461350285047056
Energy: 1.3407801154527186
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Energy: 1.340780118647005
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Energy: 1.370564402800181
Energy: 1.355120184779775
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Energy: 1.337665426941126
Energy: 1.3955034764172993
Energy: 1.335776418502038
Energy: 1.3533154285171798
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Energy: 1.4288749522648212
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Energy: 1.335776418502038
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Energy: 1.34863752235518
Energy: 1.4075227554041267
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Energy: 1.33770269992599
Energy: 1.3306955753437772
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Energy: 1.34863752235518
Energy: 1.408040029517072
Energy: 1.3808055490223865
Energy: 1.3377026999240087
Energy: 1.3489303837225133
Energy: 1.3641683268893836
Energy: 1.3233488644439793
Energy: 1.3357629539198599
Energy: 1.3174779205061953
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Energy: 1.3489303837192415
Energy: 1.3641683268907046
Energy: 1.323348864443649
Energy: 1.3357629539198599
Energy: 1.4826015505383492
Energy: 1.3366462862395474
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Energy: 1.4928330868806872
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Energy: 1.3312857649072978
Energy: 1.4826015505383492
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Energy: 1.4220273424328322
Energy: 1.4928330868780457
Energy: 1.366230292414998
Energy: 1.4383034289948569
Energy: 1.4105649199319683
Energy: 1.3379371768838768
Energy: 1.4743161485667484
Energy: 1.333173566356754
Energy: 1.3801696379415618
Energy: 1.4383034289938663
Energy: 1.4105649199322985
Energy: 1.3379371768818955
Energy: 1.3123282638743208
Energy: 1.3733462608342355
Energy: 1.3694371133125292
Energy: 1.3456201778587122
Energy: 1.3355832339079268
Energy: 1.5056901063704864
Energy: 1.3123282638743208
Energy: 1.373346260835556
Energy: 1.3694371133115388
Energy: 1.3456201778583818
Energy: 1.7040544331315022
Energy: 1.3350729502416194
Energy: 1.3660613226591243
Energy: 1.6541724522630878
Energy: 1.3371185827446654
Energy: 1.4154875276381347
Energy: 1.7040544331315022
Energy: 1.3350729502373264
Energy: 1.3660613226578036
Energy: 1.6541724522640786
Energy: 1.3157757383488875
Energy: 1.4773497141403507
Energy: 1.3620552022679313
Energy: 1.3492631187208433
Energy: 1.464840187255485
Energy: 1.4099040349426142
Energy: 1.3157757349453731
Energy: 1.4773497141386995
Energy: 1.3620552022699126
Energy: 1.3492631187188617
Energy: 1.4115858564223738
Energy: 1.3438751197275762
Energy: 1.617125716182499
Energy: 1.3481754467750293
Energy: 1.3232279626164094
Energy: 1.5621989245291137
Energy: 1.4115858564230344
Energy: 1.3438751197338503
Energy: 1.6171257162155193
Energy: 1.3481754467746991
Energy: 1.5410501530691245
Energy: 1.3487632133546412
Energy: 1.3404627729493666
Energy: 1.3046355337088733
Energy: 1.3596445699518134
Energy: 1.3880249620250977
Energy: 1.5410501543042012
Energy: 1.3487632133569525
Energy: 1.3404627729510177
Energy: 1.304635533706562
Energy: 1.338426150298345
Energy: 1.486168636779265
Energy: 1.3568512909249195
Energy: 1.3960410807581638
Energy: 1.5146348789059327
Energy: 1.40137376832312
Energy: 1.3384261502963637
Energy: 1.486168636780586
Energy: 1.3568512909268708
Energy: 1.3960410807621262
Energy: 1.3379381950496385
Energy: 1.46303083319304
Energy: 1.4782759690231508
Energy: 1.3829496722531804
Energy: 1.3376241774620063
Energy: 1.4404788068241006
Energy: 1.3379382627100287
Energy: 1.4630308331937003
Energy: 1.4782759690234808
Energy: 1.3829496722508692
Energy: 1.5949384317967066
Energy: 1.3143706417036485
Energy: 1.4040011264441563
Energy: 1.3117405085103282
Energy: 1.4436493379151707
Energy: 1.3484697071823604
Energy: 1.5949384317950557
Energy: 1.3143706417059602
Energy: 1.4040011264451169
Energy: 1.311740508509998
Energy: 1.4672140611619338
Energy: 1.4490777746958758
Energy: 1.3452507308918875
Energy: 1.395057409173144
Energy: 1.4513561295463029
Energy: 1.3499330187439655
Energy: 1.4672140611715097
Energy: 1.4490755262086623
Energy: 1.3452507308961799
Energy: 1.395057409174465
Energy: 1.323751131713939
Energy: 1.3735213431753583
Energy: 1.474034546539046
Energy: 1.3659576818997374
Energy: 1.3635064190376813
Energy: 1.4819799843611285
Energy: 1.3237511317132786
Energy: 1.3735213534677921
Energy: 1.4740345465393763
Energy: 1.3659576819013883
Energy: 1.4454117606722163
Energy: 1.371592972379137
Energy: 1.3454927939095107
Energy: 1.55999361469921
Energy: 1.3542898310992015
Energy: 1.524328745754542
Energy: 1.4454117604038819
Energy: 1.3715929723811182
Energy: 1.3454927939105013
Energy: 1.5599936147015214
Energy: 1.3727374117740083
Energy: 1.494345070354321
Energy: 1.3438225298059623
Energy: 1.3431384160828455
Energy: 1.3638092297405302
Energy: 1.3874194696370405
Energy: 1.3727374117753293
Energy: 1.494345070353661
Energy: 1.3438225298066226
Energy: 1.3431384160798734
Energy: 1.3360916729440233
Energy: 1.335537146289455
Energy: 1.4898642882876512
Energy: 1.3434195751273414
Energy: 1.5811302947294932
Energy: 1.428732092313336
Energy: 1.3360916729492767
Energy: 1.3355371369185252
Energy: 1.4898642882873208
Energy: 1.343419575127011
Energy: 1.570123986613874
Energy: 1.3252478466410909
Energy: 1.5630257299486838
Energy: 1.4452288766951615
Energy: 1.364452160232042
Energy: 1.3488499596954189
Energy: 1.5701239866132137
Energy: 1.3252478311093079
Energy: 1.5630257299480235
Energy: 1.4452288766938408
Energy: 1.355693929260083
Energy: 1.530807003538682
Energy: 1.319897879444792
Energy: 1.3864552745608372
Energy: 1.314860482658014
Energy: 1.427742251282121
Energy: 1.3556939293591137
Energy: 1.5308069947499592
Energy: 1.3198980077361073
Energy: 1.3864552745605068
Energy: 1.3483417583039239
Energy: 1.4941535571078497
Energy: 1.3305679629277658
Energy: 1.3412821539931776
Energy: 1.4053201372249333
Energy: 1.45285564118203
Energy: 1.3483417583049142
Energy: 1.49415355710884
Energy: 1.3305679628931244
Energy: 1.341282153993838
Energy: 1.397283132534688
Energy: 1.341758355502986
Energy: 1.4107261691431268
Energy: 1.447282659020245
Energy: 1.3618933507447117
Energy: 1.3601814994487522
Energy: 1.3972831325353483
Energy: 1.3417583555046368
Energy: 1.4107261691418058
Energy: 1.447282659021566
Energy: 1.659800694246896
Energy: 1.3479737608420852
Energy: 1.3509832019582757
Energy: 1.3380253107235434
Energy: 1.5726241851255316
Energy: 1.3485709892632842
Energy: 1.659800694246896
Energy: 1.3479725195480432
Energy: 1.3509832019579455
Energy: 1.3380253107304778
Energy: 1.3744182261247158
Energy: 1.3767156614342586
Energy: 1.4057687660190656
Energy: 1.328460848541776
Energy: 1.4833234659163876
Energy: 1.3548906284857147
Energy: 1.374418226127027
Energy: 1.3767156614355796
Energy: 1.405768764265482
Energy: 1.3284608202916535
Energy: 1.4116808048191003
Energy: 1.3268282570466912
Energy: 1.3469560984937923
Energy: 1.554725570327763
Energy: 1.3366145963109592
Energy: 1.5079541184861682
Energy: 1.4116808048210816
Energy: 1.3268282569882754
Energy: 1.3469561934811496
Energy: 1.5547255703360179
Energy: 1.304520984584489
Energy: 1.4136280159277435
Energy: 1.3214066986561523
Energy: 1.6149015484198315
Energy: 1.341478410178874
Energy: 1.4559740057174977
Energy: 1.304520984584489
Energy: 1.4136280159264225
Energy: 1.3214066984020165
Energy: 1.6149012517143264
Energy: 1.4349755799447947
Energy: 1.4280207440754231
Energy: 1.469405108433168
Energy: 1.3083234167044848
Energy: 1.4505843978417898
Energy: 1.2931923699489287
Energy: 1.4349755799447947
Energy: 1.4280207440767438
Energy: 1.469405108433168
Energy: 1.3083234167087776

minimum gb energy = 1.2931923699489287 eV
minimum distance =  2.2821633693472 Angstroms
sigma value = 437


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

Energy: 1.534563125068061
Energy: 1.4428467999287038
Energy: 1.2978248921452142
Energy: 1.6373591627204924
Energy: 1.2961569691298784
Energy: 1.2859786710870529
Energy: 1.534563125066858
Energy: 1.4428467999395305
Energy: 1.2978248921464175
Energy: 1.6373591627938198
Energy: 1.2696902358624254
Energy: 1.7247430115102191
Energy: 1.2866790709118063
Energy: 1.2827798151633494
Energy: 1.5269660398407112
Energy: 1.2842271425500247
Energy: 1.2696902358635735
Energy: 1.724743011509016
Energy: 1.2866790709130091
Energy: 1.2827798151633494
Energy: 1.1613678426184164
Energy: 1.2555634699517155
Energy: 1.6391434003718526
Energy: 1.2676245570814126
Energy: 1.6027193368811758
Energy: 1.4946798657496279
Energy: 1.1613678426184164
Energy: 1.2555634699505125
Energy: 1.6391434003730556
Energy: 1.2676245570802098
Energy: 1.5941278389848188
Energy: 1.2528785421422697
Energy: 1.2828754499397788
Energy: 1.2816288047076267
Energy: 1.307122212605648
Energy: 1.2833010262024964
Energy: 1.5941278389848188
Energy: 1.2528785421410669
Energy: 1.2828754499397788
Energy: 1.281628804706424
Energy: 1.2698249213498811
Energy: 1.5633963686908414
Energy: 1.287998175455102
Energy: 1.2342806822297385
Energy: 1.2765354184472402
Energy: 1.160686060568584
Energy: 1.26982492135349
Energy: 1.5633963686920445
Energy: 1.287998175453899
Energy: 1.2342806822285355
Energy: 1.2851120754565757
Energy: 1.3059281775699108
Energy: 1.2761209654650887
Energy: 1.2329552216624622
Energy: 1.2825610513582506
Energy: 1.2346534365680017
Energy: 1.2851120754553726
Energy: 1.3059281775747227
Energy: 1.2761209654674948
Energy: 1.2329552216624622
Energy: 1.7250740163815532
Energy: 1.284927957228588
Energy: 1.3573006795904674
Energy: 1.2788469414706136
Energy: 1.2907567037866285
Energy: 1.2608359000747438
Energy: 1.7250740163791471
Energy: 1.2849279572297914
Energy: 1.3573006795892641
Energy: 1.2788469414694106
Energy: 1.3403150877838277
Energy: 1.3652773438910033
Energy: 1.328636120604492
Energy: 1.2816916684256905
Energy: 1.3959487546291036
Energy: 1.2546899098628146
Energy: 1.3403150877838277
Energy: 1.3652773438898005
Energy: 1.3286361205083081
Energy: 1.2816916684256905
Energy: 1.260707829867976
Energy: 1.2809727309446324
Energy: 1.664563663379066
Energy: 1.6301577363129607
Energy: 1.2924517835884
Energy: 1.4255482738299639
Energy: 1.2607078298667727
Energy: 1.2809727309434296
Energy: 1.664563663380269
Energy: 1.6301577363129607
Energy: 1.3511234124143117
Energy: 1.2392218682201896
Energy: 1.2755567059827022
Energy: 1.1783273597108845
Energy: 1.2889679289152196
Energy: 1.6591876155053358
Energy: 1.3511234122411913
Energy: 1.2392218682213927
Energy: 1.2755567059827022
Energy: 1.1783273597132906
Energy: 1.5076610297526014
Energy: 1.2803552468082078
Energy: 1.295022705626939
Energy: 1.293325832343627
Energy: 1.3761911783850236
Energy: 1.2747934458726566
Energy: 1.5076610297538044
Energy: 1.2803552468082078
Energy: 1.2950227056257362
Energy: 1.293325832343627
Energy: 1.1579063651263926
Energy: 1.4190072941642717
Energy: 1.4737943282674444
Energy: 1.2478585528072255
Energy: 1.4691755035589475
Energy: 1.3797239759880975
Energy: 1.1579063651263926
Energy: 1.4190072941666776
Energy: 1.4737943145967811
Energy: 1.2478585528084285
Energy: 1.4943600239883712
Energy: 1.2801818162017942
Energy: 1.3761911783838205
Energy: 1.2948545137969691
Energy: 1.2896193434839927
Energy: 1.280368919183757
Energy: 1.4943600239883712
Energy: 1.280181816202997
Energy: 1.3761911783838205
Energy: 1.2948545137969691
Energy: 1.2795534751949496
Energy: 1.6850123953717588
Energy: 1.288394952359789
Energy: 1.1787131630635106
Energy: 1.2783496864225847
Energy: 1.2372630301112564
Energy: 1.2795534751023743
Energy: 1.6850123953717588
Energy: 1.288394952359789
Energy: 1.1787131630623078

minimum gb energy = 1.1579063651263926 eV
minimum distance =  2.28530049360003 Angstroms
sigma value = 33