Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
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=3.150138288736343
cohesive_energy=6.810539118324262
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.951400167135179e-21, 3.1640905691875795e-20, 1.079846223019758e-19, 2.31107570747964e-19, 3.6951640580595598e-19, 4.957022353231619e-19, 6.00795409453758e-19, 6.86569537731582e-19, 7.572912165329759e-19, 8.166053977002899e-19, 8.669954550162239e-19, 9.100138976391239e-19, 9.466476663755339e-19, 9.77603321121048e-19, 1.003486484643318e-18, 1.024870736177316e-18, 1.042318439721576e-18, 1.056364722271854e-18, 1.067509462937958e-18, 1.0762108842372118e-18, 1.082824669382364e-18, 1.08746136856116e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.086998339513934e-18, 1.08133304293611e-18, 1.072676482582608e-18, 1.06066496435751e-18, 1.044862696216368e-18, 1.0247121206905498e-18, 9.99551538830214e-19, 9.68573453611824e-19, 9.307813111690319e-19, 8.84931822433854e-19, 8.29448445598434e-19, 7.623428794599779e-19, 6.810772762302299e-19, 5.82426454344948e-19, 4.62274422031386e-19, 3.1532278116090597e-19, 1.345946933630916e-19, -8.949934916953739e-20, -3.7113139985302795e-19, -7.327426661468279e-19, -1.2104556622234379e-18, -1.8601110503076597e-18, -2.7643154554718997e-18, -4.0448551301964e-18]
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: 0.01956862897002929
Energy: 0.11597243571351964
Energy: 0.2629607194185983
Energy: 0.2633024380864705
Energy: 0.11576989824502525
Energy: 0.2630041664771359
Energy: 0.11574104756458822
Energy: 0.26469371083213733
Energy: 0.2631225501225721
Energy: 0.020529328973198934
Energy: 0.2631563910934758
Energy: 0.26419960149523797
Energy: 0.11570437565562684
Energy: 0.02001981598037183
Energy: 0.020303872185712963
Energy: 0.2630191894653085
Energy: 0.26439012134990303
Energy: 0.11632852717858005
Energy: 0.26304087156464534
Energy: 0.11570017633053754
Energy: 0.2633783285404782
Energy: 0.26313708477679765
Energy: 0.11594088477330314
Energy: 0.0207465265929949
Energy: 0.2643302484323401
Energy: 0.11584004310292341
Energy: 0.020208804023126067
Energy: 0.02045403623760074
Energy: 0.11605801419216213
Energy: 0.26317788981928
Energy: 0.020215831635751375
Energy: 0.11658846736467407
Energy: 0.26318689340117707
Energy: 0.2633007291059404
Energy: 0.26309104181766396
Energy: 0.11604930529380794
Energy: 0.020083490898438208
Energy: 0.01992262915614352
Energy: 0.2630076347682547
Energy: 0.019994963734617007
Energy: 0.020451720487240598
Energy: 0.2633088937746003
Energy: 0.2631274419029228
Energy: 0.02017240654088505
Energy: 0.0196396397604862
Energy: 0.2629989475272199
Energy: 0.26305043788446103
Energy: 0.263055168376695
Energy: 0.2630277934069611
Energy: 0.01980264397948707
Energy: 0.26355006953334803
Energy: 0.26301620803538917
Energy: 0.11580416625790492
Energy: 0.02030699040753687
Energy: 0.020181022350094138
Energy: 0.2630915241731412
Energy: 0.019695124004721138
Energy: 0.020453220393514753
Energy: 0.11569623164722576
Energy: 0.26301656248680144
Energy: 0.02121633456583662
Energy: 0.1160833294099406
Energy: 0.2630470468551992
Energy: 0.11622393136426976
Energy: 0.26302737452404384
Energy: 0.11613853530017162
Energy: 0.02017231055954599
Energy: 0.020301988063046093
Energy: 0.11589037910984851
Energy: 0.26415141735519626

minimum gb energy = 0.01956862897002929 eV
minimum distance =  2.72668748368729 Angstroms
sigma value = 3


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

Energy: 2.7694235792501205
Energy: 2.213299866432076
Energy: 2.1818235230563303
Energy: 2.087600686872147
Energy: 2.2268462385696743
Energy: 2.2809757929320527
Energy: 2.2029938429212677
Energy: 2.213644811982778
Energy: 2.183103533947118
Energy: 2.137831184337459
Energy: 2.178115204139666
Energy: 2.100922470299959
Energy: 2.209647280341587
Energy: 2.2020559529518056
Energy: 2.2085969849497027
Energy: 2.1848782487942784
Energy: 2.2787531980131033
Energy: 2.2032376614881786
Energy: 2.209220759234995
Energy: 2.231115045376574
Energy: 2.2286229565381097
Energy: 2.0886122968650436
Energy: 2.2239393258243974
Energy: 2.269500369808774
Energy: 2.0212765286421424
Energy: 2.2111208364503723
Energy: 2.203513559786526
Energy: 2.0879455981506756
Energy: 2.2063726641250243
Energy: 2.145373569337595
Energy: 2.363804761457003
Energy: 2.0911185566349104
Energy: 2.207097209959415
Energy: 2.2320364099076984
Energy: 2.0242261718606245
Energy: 2.2028693786273887
Energy: 2.2087194069587706
Energy: 2.188792400128183
Energy: 2.213217137728327
Energy: 2.1857954513805735
Energy: 2.364503644689437
Energy: 2.184882132779575
Energy: 2.380060010532941
Energy: 2.3124539971979456
Energy: 2.1026871372353257
Energy: 2.199932745712258
Energy: 2.2794836229523514
Energy: 2.03820589093494
Energy: 2.1881957332459305
Energy: 2.0883699742192685
Energy: 2.1917584073458576
Energy: 2.187047052442323
Energy: 2.101356686194419
Energy: 2.143300762804942
Energy: 2.357248714940694
Energy: 2.258823678245773
Energy: 2.415131744411264
Energy: 2.1254439998543764
Energy: 2.180138296782358
Energy: 2.0903322661901846
Energy: 2.2965206441637145
Energy: 2.0209791962748924
Energy: 2.022611893740485
Energy: 2.020734274113786
Energy: 2.2198941574458493
Energy: 2.0890180920712096
Energy: 2.1247220203717645
Energy: 2.414734894140739
Energy: 2.2007589293375736
Energy: 2.2044750059085465
Energy: 2.290311223996993
Energy: 2.0217004662856675
Energy: 2.1604411918031245
Energy: 2.1947012502983307
Energy: 2.007018694071324
Energy: 2.008448924568012
Energy: 2.012610905670777
Energy: 2.314600804718113
Energy: 2.4453190678566954
Energy: 2.082109871021113
Energy: 2.021396271591374
Energy: 2.3232174259964684
Energy: 2.0075848243899546
Energy: 2.0071830469436565
Energy: 2.008451822318775
Energy: 2.2192760738804576
Energy: 2.158470068451107
Energy: 2.021368058453155
Energy: 2.2965604230514187
Energy: 2.0234004917030686
Energy: 2.2022379955077787
Energy: 2.412338921359233
Energy: 2.0981718899714785
Energy: 2.1048492857558387
Energy: 2.218790887899871
Energy: 2.0210324174266088
Energy: 2.027257264153172
Energy: 2.023745174585859
Energy: 2.021282880942745
Energy: 2.205422168724376
Energy: 2.181017624577222
Energy: 2.0885647471403885
Energy: 2.414738688159356
Energy: 2.089021118820652
Energy: 2.3575459761196598
Energy: 2.0216937106967534
Energy: 2.0210309946843847
Energy: 2.187308041567458
Energy: 2.217271996589958
Energy: 2.173499226271179
Energy: 2.1876155774001163
Energy: 2.0387657351056805
Energy: 2.279214330209772
Energy: 2.2245072107452266
Energy: 2.1928505298961243
Energy: 2.479611642039581
Energy: 2.1841012196428693
Energy: 2.1857757823753383
Energy: 2.234701826207641
Energy: 2.0878320124125027
Energy: 2.20685440880734
Energy: 2.2296795751873786
Energy: 2.218541901650464
Energy: 2.128528865159598
Energy: 2.102588552340564
Energy: 2.2254580279366545
Energy: 2.3309363082913683
Energy: 2.2109564438133744
Energy: 2.210361115447733
Energy: 2.2351403277118664
Energy: 2.4085743909623663
Energy: 2.0342610272014126
Energy: 2.0353048106707585
Energy: 2.210724989499939
Energy: 2.126514945047881
Energy: 2.2189381814568745
Energy: 2.231938944438927
Energy: 2.0876029384281454
Energy: 2.1534072020665582
Energy: 2.233230903399004
Energy: 2.20918676134675
Energy: 2.2029420436466842
Energy: 2.1036228779361563
Energy: 2.211284470381999
Energy: 2.218761824455601
Energy: 2.268900944706316
Energy: 2.185784249450235
Energy: 2.1826842433334526
Energy: 2.177552793922863
Energy: 2.226770852519826
Energy: 2.1888573733134598
Energy: 2.2033332420613596
Energy: 2.267346891210293
Energy: 2.2105792651618836
Energy: 2.2294732249351528
Energy: 2.378683190121621
Energy: 2.18912968677023
Energy: 2.2097871204819013
Energy: 2.2023217661648995
Energy: 2.208792045008006
Energy: 2.4086194357311803
Energy: 2.2036440179152725
Energy: 2.086906458017509
Energy: 2.2064543652160915
Energy: 2.4627779203165723
Energy: 2.1916150603166487
Energy: 2.0882698493199894
Energy: 2.2291984213797935
Energy: 2.280283696077068
Energy: 2.212110522505305
Energy: 2.2031538777503203
Energy: 2.086529923248588
Energy: 2.183142036998264
Energy: 2.2081943609989154
Energy: 2.1860853277029655
Energy: 2.0202216902067924
Energy: 2.0879785852669523
Energy: 2.206821859585198
Energy: 2.2358985110880574
Energy: 2.0236985239823593
Energy: 2.1972999571332057
Energy: 2.190449337811786
Energy: 2.039394561389052
Energy: 2.1869187304366147
Energy: 2.0879774022922146
Energy: 2.3625827632571608
Energy: 2.1857980591436927
Energy: 2.381055514671095
Energy: 2.312775944950618
Energy: 2.1042688071675513
Energy: 2.23227222027147
Energy: 2.4185044888279297
Energy: 2.042501090899229
Energy: 2.184220684978852
Energy: 2.0883076115505412
Energy: 2.2504509277690192
Energy: 2.186136429619114
Energy: 2.1961900588380785
Energy: 2.1815675635615634
Energy: 2.359143941221788
Energy: 2.088928340372004
Energy: 2.125004721685398
Energy: 2.409831796830039
Energy: 2.111869684068943
Energy: 2.2070361908881853
Energy: 2.0233158857935414
Energy: 2.1854227709005882
Energy: 2.024799214999701
Energy: 2.0206185761277107
Energy: 2.219243591014753
Energy: 2.2184027430567137
Energy: 2.012543719848532
Energy: 2.2994163942450676
Energy: 2.441175198419202
Energy: 2.0787966279298447
Energy: 2.2912612543331554
Energy: 2.02215187578091
Energy: 2.160095628641413
Energy: 2.194727013670734
Energy: 2.1447310472589174
Energy: 2.21834252520255
Energy: 2.1669037189919047
Energy: 2.30440030387223
Energy: 2.2963586020312476
Energy: 2.022144550909413
Energy: 2.3372535651278294
Energy: 2.323339595901975
Energy: 2.0077308903281477
Energy: 2.2212654192722865
Energy: 2.0100309371154848
Energy: 2.0218650996507477
Energy: 2.1593828794954657
Energy: 2.023107459776639
Energy: 2.0214692912121484
Energy: 2.2332983829399184
Energy: 2.021896342841975
Energy: 2.4111538103409087
Energy: 2.0618959040425318
Energy: 2.007268339933994
Energy: 2.22031677431032
Energy: 2.2378336802632983
Energy: 2.02462598111749
Energy: 2.187072906196699
Energy: 2.102124786483476
Energy: 2.1639047737895396
Energy: 2.181055578425803
Energy: 2.1459536444195173
Energy: 2.320969044717029
Energy: 2.088581199593538
Energy: 2.3454459360175726
Energy: 2.4796956180214385
Energy: 2.1819244908323765
Energy: 2.1856836068756955
Energy: 2.237900152969878
Energy: 2.0870781096042736
Energy: 2.189813333735323
Energy: 2.0409308403945294
Energy: 2.2794077792341936
Energy: 2.228345289145883
Energy: 2.1914155711083256
Energy: 2.220593744302655
Energy: 2.087739673576134
Energy: 2.410359148815333
Energy: 2.209964916551586
Energy: 2.233589078850999
Energy: 2.2072763206561614
Energy: 2.229298046552554
Energy: 2.2197032792070552
Energy: 2.19707054377193
Energy: 2.1019981239477046
Energy: 2.1922069945092524
Energy: 2.2309276297382103
Energy: 2.0870869846785594
Energy: 2.153803382968225
Energy: 2.127527586410555
Energy: 2.4079708598581187
Energy: 2.147418649363737
Energy: 2.227260786152228
Energy: 2.209541783823766
Energy: 2.130922555842389
Energy: 2.1844746804006614
Energy: 2.2308672908455827
Energy: 2.090776524146219
Energy: 2.1768554800641002
Energy: 2.2280349926503895
Energy: 2.210854799413918
Energy: 2.203129098269862
Energy: 2.229057795068046
Energy: 2.206392933972575
Energy: 2.2157297051228038

minimum gb energy = 2.007018694071324 eV
minimum distance =  2.45032723578152 Angstroms
sigma value = 75


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

Energy: 3.051186684427191
Energy: 2.2150879826523737
Energy: 2.3493632879197346
Energy: 2.3242837071671456
Energy: 2.2558422887115377
Energy: 2.201773396590295
Energy: 2.2188711645851082
Energy: 2.323134584929376
Energy: 2.4471121224489423
Energy: 2.2600634278423875
Energy: 2.2371379107867218
Energy: 2.3101644412898508
Energy: 2.2165806157032812
Energy: 2.313313192224994
Energy: 2.21754048180644
Energy: 2.2649291526462263
Energy: 2.524091017562363
Energy: 2.239315459888165
Energy: 2.213496202783435
Energy: 2.264327348495228
Energy: 2.4835414096817687
Energy: 2.2527202876323438
Energy: 2.2571391093386657
Energy: 2.2647853375581133
Energy: 2.212400847112367
Energy: 2.4374572889101875
Energy: 2.5519532098340663
Energy: 2.307326530121531
Energy: 2.4690168985064522
Energy: 2.424534772571587
Energy: 2.48762733119732
Energy: 2.3913571600379773
Energy: 2.4577106794573007
Energy: 2.405386016892093
Energy: 2.2563534545206814
Energy: 2.2133614519121307
Energy: 2.2369115320801027
Energy: 2.44922191763642
Energy: 2.4771559608518943
Energy: 2.4376466647246264
Energy: 2.383521887977705
Energy: 2.4873266156791054
Energy: 2.4665659118603176
Energy: 2.411451509144421
Energy: 2.226867200476912
Energy: 2.2349942306050763
Energy: 2.243872389170614
Energy: 2.2800918953653397
Energy: 2.2755131279453082
Energy: 2.272147619018768
Energy: 2.237502626333539
Energy: 2.3892116841279925
Energy: 2.2258018416796985
Energy: 2.254997061744852
Energy: 2.3254494203256555
Energy: 2.2527874658218003
Energy: 2.279408125073662
Energy: 2.1527643744846627
Energy: 2.2733884788217122
Energy: 2.1741720137194456
Energy: 2.277969328140294
Energy: 2.396334074135207
Energy: 2.2418696143861703
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Energy: 2.253040977525813
Energy: 2.1944373407177844
Energy: 2.1540111923280496
Energy: 2.2766385728131633
Energy: 2.2850638223144846
Energy: 2.267481222707575
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Energy: 2.3738480287572403
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Energy: 2.389002809078803
Energy: 2.349321749635133
Energy: 2.2699523537058206
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Energy: 2.253779401325142
Energy: 2.2767092655989836
Energy: 2.271386269220654
Energy: 2.339546143682387
Energy: 2.291930670617322
Energy: 2.382904136985109
Energy: 2.4604759245171834
Energy: 2.6735089463020314
Energy: 2.585246736046285
Energy: 2.5816089431517217
Energy: 2.3254672927685114
Energy: 2.291376819659401
Energy: 2.337422395247563
Energy: 2.3570438467437627
Energy: 2.2721629057136785
Energy: 2.273937821191385
Energy: 2.4121879105984942
Energy: 2.499294148336096
Energy: 2.28407244986361
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Energy: 2.454757932576044
Energy: 2.220946362351467
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Energy: 2.60476622652218
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Energy: 2.3310354361932415
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Energy: 2.301113803047628
Energy: 2.267521820824832
Energy: 2.333445997571336
Energy: 2.2464728055028855
Energy: 2.2918725182214867
Energy: 2.357326339890494
Energy: 2.5058315989319073
Energy: 2.3004728808405854
Energy: 2.257177363755782
Energy: 2.3081128104244635
Energy: 2.4980866342338715
Energy: 2.355116472475178
Energy: 2.518821135525194
Energy: 2.255817627699865
Energy: 2.3262255594463492
Energy: 2.3459419484035298
Energy: 2.2693425667266176
Energy: 2.277970507119042
Energy: 2.3103079104316913
Energy: 2.345899121519369
Energy: 2.3038823338138554
Energy: 2.3604616985337605
Energy: 2.307150528770997
Energy: 2.5204798450224812
Energy: 2.441207585144169
Energy: 2.2736050640436067
Energy: 2.5222528437775864
Energy: 2.491738428447042
Energy: 2.498928955944279
Energy: 2.2687524259653586
Energy: 2.267562096647814
Energy: 2.2135055211128867
Energy: 2.272781962799301
Energy: 2.3199806792892512
Energy: 2.2663717610601273
Energy: 2.1689281925335147
Energy: 2.5010504861191927
Energy: 2.5024377747701556
Energy: 2.2907151685039087
Energy: 2.273618262631298
Energy: 2.2253553050502
Energy: 2.264463103635691
Energy: 2.288282204250546
Energy: 2.2794882629802102
Energy: 2.2765868604107142
Energy: 2.1915358143657664
Energy: 2.388168367759009
Energy: 2.3458589825421705
Energy: 2.188213233738687
Energy: 2.402525969630707
Energy: 2.3184569274851543
Energy: 2.172483723521041
Energy: 2.2795111066514138
Energy: 2.167930487929287
Energy: 2.2752128578807205
Energy: 2.283332447100847
Energy: 2.265662429952706
Energy: 2.386213400914056
Energy: 2.224494825265712
Energy: 2.2312994054826083
Energy: 2.5432985211094503
Energy: 2.1775196015616576
Energy: 2.154269647366803
Energy: 2.28545740504612
Energy: 2.363050010286904
Energy: 2.254779927009113
Energy: 2.2666502095254897
Energy: 2.226202288152931
Energy: 2.336033188518568
Energy: 2.3039570422822044
Energy: 2.471238051726976
Energy: 2.384040693444381
Energy: 2.341953288872856
Energy: 2.439116170979318
Energy: 2.626139615957075
Energy: 2.283711105406178
Energy: 2.3570704596287486
Energy: 2.2862321743267886
Energy: 2.357825470234706
Energy: 2.29217253109882
Energy: 2.2773505592103502
Energy: 2.42865961429543
Energy: 2.6810555257233575
Energy: 2.626101066163745
Energy: 2.4089078147014042
Energy: 2.5490021519280237
Energy: 2.6760972009489357
Energy: 2.6033810596304168
Energy: 2.275148229526619
Energy: 2.220845846377931
Energy: 2.342387504965662
Energy: 2.504869113201544
Energy: 2.457419012629777
Energy: 2.277513888064633
Energy: 2.3476453549151595
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minimum gb energy = 2.1247949796388323 eV
minimum distance =  2.43105826057373 Angstroms
sigma value = 105


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

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Energy: 2.3613077887645746
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Energy: 2.263481208412401
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Energy: 2.2289446270010274
Energy: 2.4057579054486244
Energy: 2.319635322658429
Energy: 2.323153898662261
Energy: 2.2142135075628095
Energy: 2.2125667960075495
Energy: 2.414441164544702
Energy: 2.4456450167982213
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Energy: 2.189607377141504
Energy: 2.172557216219922
Energy: 2.239137056974393
Energy: 2.363826535890849
Energy: 2.251088172834793
Energy: 2.3775646176444045
Energy: 2.413373284259161
Energy: 2.401068732726479
Energy: 2.1825221043513547
Energy: 2.309391507128843
Energy: 2.1579506003211337
Energy: 2.1993978380994603
Energy: 2.2727231214853427
Energy: 2.277675193033463
Energy: 2.3030572780942355
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Energy: 2.3294070990962172
Energy: 2.170977395977822
Energy: 2.177968396619184
Energy: 2.3094153902069716
Energy: 2.2728334772907903
Energy: 2.2057128025342863
Energy: 2.177671324685311
Energy: 2.1846798825902365
Energy: 2.3056475517019726
Energy: 2.266603658648296
Energy: 2.3983939155627723
Energy: 2.2986098657807434
Energy: 2.2444894166268123
Energy: 2.4072362694126213
Energy: 2.442666754342014
Energy: 2.2068294142115854
Energy: 2.163711592935767
Energy: 2.2066004881117207
Energy: 2.3148482255144494
Energy: 2.364844634147241
Energy: 2.3510106140713667
Energy: 2.234011262123919
Energy: 2.403477487930511
Energy: 2.5354449216482364
Energy: 2.5408338796354144
Energy: 2.3413042775710675
Energy: 2.2265582904369876
Energy: 2.3389500439423503
Energy: 2.5322537808811356
Energy: 2.2283711272879545
Energy: 2.1789061801978975
Energy: 2.24017925534869
Energy: 2.4369822204687868
Energy: 2.355873304419358
Energy: 2.36053810193283
Energy: 2.5399910459665693
Energy: 2.409874187028532
Energy: 2.1639875679346927

minimum gb energy = 2.125613765034051 eV
minimum distance =  2.47310866657888 Angstroms
sigma value = 165


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

Energy: 2.5255092435523108
Energy: 2.113452009419468
Energy: 2.1147187070771998
Energy: 2.193758465993071
Energy: 2.3070346046208283
Energy: 2.0773391236300665
Energy: 2.1295451423401857
Energy: 2.1240658443041447
Energy: 2.4998222847830056
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Energy: 2.0720264593099538
Energy: 2.4991006666569904
Energy: 2.660909759463454
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Energy: 2.550955482888134
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Energy: 2.1943761001481157
Energy: 2.1135100853019537
Energy: 2.077413991243906
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Energy: 2.6574564255369806
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Energy: 2.606934027479518
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Energy: 2.113208430479958
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Energy: 2.091517993682341
Energy: 2.1273016614185227
Energy: 2.1983691291794942
Energy: 2.6054221657759205
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Energy: 2.254487695585432
Energy: 2.2520982194565615
Energy: 2.2099358839215384
Energy: 2.0950398372000723
Energy: 2.1044934227830634
Energy: 2.0945392663712177
Energy: 2.122146985941411
Energy: 2.1751169094044696
Energy: 2.167458999743218
Energy: 2.140585295056137
Energy: 2.192809025465334
Energy: 2.2046884423873028
Energy: 2.122441799721412
Energy: 2.100006985715169
Energy: 2.1375134677387972
Energy: 2.1920354258482027
Energy: 2.2825579795244604
Energy: 2.2293293945008283
Energy: 2.1688415132883114
Energy: 2.25295535975086
Energy: 2.1934434061186114
Energy: 2.6566767638498336
Energy: 2.128568755351061
Energy: 2.078516792253738
Energy: 2.1382711233860348
Energy: 2.17124405199296
Energy: 2.112937496915001
Energy: 2.115653708746198
Energy: 2.1405333785750305
Energy: 2.1659981909275166
Energy: 2.226461663262697
Energy: 2.095905779770977
Energy: 2.3189388187494666
Energy: 2.113734886549582
Energy: 2.546972093917778

minimum gb energy = 2.0066532493973925 eV
minimum distance =  2.42338650530362 Angstroms
sigma value = 41


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

Energy: 3.9597373172976655
Energy: 2.088073339023559
Energy: 2.2674553706126224
Energy: 2.113062948888382
Energy: 2.1267031116554125
Energy: 2.304214019196524
Energy: 2.3066486572723877
Energy: 2.3380506491862265
Energy: 2.2648072278256857
Energy: 1.8886719394346803
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Energy: 2.32280304804242
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Energy: 2.2661476724798644
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Energy: 2.363650761053999
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Energy: 2.060914690114595
Energy: 2.150799412112675
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Energy: 1.9491796190137631
Energy: 2.1859115892389895
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Energy: 2.2413818375984764
Energy: 2.1533521240394315
Energy: 2.1586143582258353
Energy: 2.1113911468373767
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Energy: 2.129428856757429
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Energy: 2.228544377738826
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Energy: 2.2224907385411
Energy: 2.1338209429711896
Energy: 1.937739624080062
Energy: 1.8523662996679708
Energy: 1.854122818001086
Energy: 2.166396793168726
Energy: 2.298855111724655
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Energy: 2.264554667906596
Energy: 2.3481435541913984
Energy: 2.205249686183568
Energy: 1.8132679631931408
Energy: 2.1491808474071834
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Energy: 1.8522713970294373
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Energy: 2.3929507694894134
Energy: 2.2560107855115326
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Energy: 1.8531582062890133
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Energy: 2.3659996841154562
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Energy: 2.3807138529311054
Energy: 2.212338190258666
Energy: 1.8542375481187336
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Energy: 1.922639067462417
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Energy: 2.2957446862241544
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Energy: 2.3952832808043314
Energy: 2.0197347514222233
Energy: 1.85353468653109
Energy: 2.0553562661462763
Energy: 2.406596870394396
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Energy: 2.109848025083062
Energy: 1.8520972955149124
Energy: 1.8533255458224607
Energy: 2.095419139302573
Energy: 2.2189763280613426
Energy: 2.085303303405103
Energy: 2.093187033456841
Energy: 2.007433891309769
Energy: 2.105238119633978
Energy: 2.115142072212727
Energy: 2.3539384295646033
Energy: 2.220082127177142
Energy: 2.0645545727494095
Energy: 2.131286007729299
Energy: 2.1083619834370713
Energy: 2.08589629722362
Energy: 2.014037014920606
Energy: 2.0072622658631123
Energy: 2.0571879352649427
Energy: 2.1992659219873496
Energy: 2.381228341750316
Energy: 2.3019624610827685
Energy: 2.228209488767391
Energy: 2.3050823491560446
Energy: 2.0867203160798438
Energy: 2.0827171129036124
Energy: 2.015798259808973
Energy: 2.1503454720333486
Energy: 2.2043941768883966
Energy: 2.0527606532549023
Energy: 2.317790525309665
Energy: 2.264501918859742
Energy: 2.274460047549891
Energy: 2.2660641504094365
Energy: 2.0992622930830582
Energy: 2.0190585401984213
Energy: 2.1215259169243725
Energy: 2.2232874973436436
Energy: 2.1978247943208826
Energy: 2.2203864121122514
Energy: 2.242742766241816
Energy: 2.2740330844584786
Energy: 2.2643520643743598
Energy: 2.3990952736234292
Energy: 2.2803543336686585

minimum gb energy = 1.8118211536103186 eV
minimum distance =  2.46548355471136 Angstroms
sigma value = 185


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

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Energy: 2.3071054794061983
Energy: 2.1778983436493653
Energy: 2.173676184701321
Energy: 2.159056870938079
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Energy: 1.876118295536989
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Energy: 2.2469409598215937
Energy: 2.5429813815353315
Energy: 2.116492102263891
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Energy: 2.153615864778148
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Energy: 1.979316277739308
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Energy: 2.174623301657816
Energy: 1.7473867115142054
Energy: 2.4915261257433126
Energy: 2.5627851843148735
Energy: 2.556086101981329
Energy: 2.168096871855134
Energy: 2.173306142072938
Energy: 2.2396871717604703
Energy: 2.2283665716613275
Energy: 2.058093339242041
Energy: 2.7611361468349886
Energy: 2.2473210809757864
Energy: 2.4921755198928577
Energy: 2.177668471500784
Energy: 1.9459550841130353
Energy: 2.2966201634346572
Energy: 2.0440368564527756
Energy: 2.5039392350831493
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Energy: 2.556354464501405
Energy: 1.847384568351275
Energy: 1.8566219528296457
Energy: 2.245438633025398
Energy: 2.190444316539521
Energy: 2.155476830656037
Energy: 2.1838689454793707
Energy: 2.1212529264574314
Energy: 1.8556460393596654
Energy: 1.8477231328953105
Energy: 1.8472089658057884
Energy: 1.8476726529575316
Energy: 1.9107494073040936
Energy: 2.055629345442331
Energy: 1.912355065830637
Energy: 2.1264444727470284
Energy: 2.175965561425679
Energy: 2.232575665234763
Energy: 2.522875816240524
Energy: 2.53018474066769
Energy: 1.8475999800214218
Energy: 2.246413947755102
Energy: 2.246468785065836
Energy: 1.9116572310599582
Energy: 2.1268293570276304
Energy: 1.9098152616875559
Energy: 1.9695891805651788
Energy: 1.836725799791482
Energy: 1.8373360464742416
Energy: 2.2305872658334462
Energy: 2.541937983359559
Energy: 2.4723899553406694
Energy: 2.585332116931555
Energy: 2.5391614829344316
Energy: 2.156595257350087
Energy: 2.1426424778433177
Energy: 2.1177614176503146
Energy: 1.8373915572487067
Energy: 1.8367953707212592
Energy: 2.0551234038520585
Energy: 2.18489695389648

minimum gb energy = 1.7468906803950526 eV
minimum distance =  2.42479634878377 Angstroms
sigma value = 33


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

Energy: 3.5423536977761114
Energy: 2.2853475378594266
Energy: 2.4619473542066004
Energy: 2.1452763833578143
Energy: 2.2095603494498732
Energy: 2.312197668057984
Energy: 2.3136250267554446
Energy: 2.4582575161268063
Energy: 2.2407597501941554
Energy: 2.422963664978565
Energy: 2.001528761556728
Energy: 2.315339826607531
Energy: 2.402892820093331
Energy: 2.3900060317761853
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Energy: 2.341797196467013
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Energy: 2.012539013658856
Energy: 2.246175010009231
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Energy: 2.0815555819282188
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Energy: 2.000453477604236
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Energy: 1.92967841811575
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Energy: 2.174490965865405
Energy: 2.444544552407056
Energy: 1.8966075255891948
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Energy: 2.0748701214426024
Energy: 2.050182858302241
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Energy: 2.3861947561561103
Energy: 2.445491180999597
Energy: 2.3892368552458847
Energy: 2.3890289802096336
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Energy: 2.35443428613372
Energy: 2.453049171116501
Energy: 2.0709386745890703
Energy: 2.0486601126885575
Energy: 1.9290476375605634
Energy: 1.9294123808236445
Energy: 2.407526904883862
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Energy: 2.1139839427796554
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Energy: 2.0755047527226247
Energy: 2.4317504907098173
Energy: 2.0480776585043294
Energy: 2.0788195088419585
Energy: 2.0457670570602553
Energy: 2.0456429622080594
Energy: 2.2905626707641766
Energy: 2.1549772977099995
Energy: 2.071982159653585
Energy: 2.177354650673709
Energy: 2.2906441556953268
Energy: 2.4745757635474335
Energy: 2.4896025583267454
Energy: 2.1335109257191562
Energy: 2.0709651161209863
Energy: 2.1315649486686135
Energy: 2.252374997382221
Energy: 1.9285528227724478
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Energy: 2.351315323557571
Energy: 2.5421740108644078

minimum gb energy = 1.8966075255891948 eV
minimum distance =  2.45434384869405 Angstroms
sigma value = 219


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

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Energy: 2.0387117112390123
Energy: 1.8289321626284967
Energy: 1.828710229806587
Energy: 2.180261864061468
Energy: 2.0422560797607643

minimum gb energy = 1.828710229806587 eV
minimum distance =  2.4774677751227 Angstroms
sigma value = 15


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

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minimum gb energy = 2.0718132281174224 eV
minimum distance =  2.4260670319783 Angstroms
sigma value = 293


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

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Energy: 2.1339958511048596
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Energy: 2.2553164011492397
Energy: 2.240976212131216
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Energy: 2.2239101215523074
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Energy: 2.3133116842953863
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Energy: 2.4925615614671646
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Energy: 2.23766593140354
Energy: 2.266587915673289
Energy: 2.494769978034858
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Energy: 2.3311786539561625
Energy: 2.2241977527854924
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Energy: 2.385915450239385
Energy: 2.268524460357905
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Energy: 2.241238713569292
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Energy: 2.4820627812481617
Energy: 2.831271113703346
Energy: 2.6106462259829915
Energy: 2.6409907959718155
Energy: 2.5027618691517746
Energy: 2.2525576804827177
Energy: 2.3761691784097225
Energy: 2.3283265043272494
Energy: 2.2617404834259958
Energy: 2.5478832315134134
Energy: 2.3002137427398934
Energy: 2.168726206111224
Energy: 2.429547357924271
Energy: 2.487168915452149
Energy: 2.4699513010553673
Energy: 2.5327597478136172
Energy: 2.6109608799911173
Energy: 2.546977153729147
Energy: 2.3025042266571694
Energy: 2.132689157349017
Energy: 2.3118171219902672
Energy: 2.224881994473766
Energy: 2.2090473271014606
Energy: 2.2048289136718067
Energy: 2.4860219196654687
Energy: 2.651096400976792
Energy: 2.6147301625458197
Energy: 2.2793956368747783
Energy: 2.326011639673673
Energy: 2.1342939673236216
Energy: 2.2131059147338616
Energy: 2.2241939832351716
Energy: 2.3826699189334746
Energy: 2.243321146975051
Energy: 2.490809049861331
Energy: 2.3438421810383203
Energy: 2.269803538206334
Energy: 2.281311662266983
Energy: 2.1333641678203965
Energy: 2.133577633601129
Energy: 2.2279543273394524
Energy: 2.3295051266147384
Energy: 2.7569216031028523
Energy: 2.3803754078150146
Energy: 2.223259271161448
Energy: 2.3990031980963997

minimum gb energy = 2.1294347034259204 eV
minimum distance =  2.46436951447774 Angstroms
sigma value = 293


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

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Energy: 2.0943152866895534
Energy: 2.089375579818686
Energy: 2.4526922481084
Energy: 1.9485827003873748
Energy: 2.273951312480199
Energy: 1.9488618646899143
Energy: 1.9686298515098857
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Energy: 1.9695317292062255
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Energy: 2.452212941013559
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Energy: 1.9422334116604143
Energy: 1.9509664435864724
Energy: 1.747132707422555
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Energy: 1.9434498521213768
Energy: 2.0909975889731176
Energy: 2.3432541733894663
Energy: 2.4182488602588252
Energy: 2.4535838022089176
Energy: 1.9551062060181144
Energy: 2.086905084440793
Energy: 2.2508944505387003
Energy: 1.9695074147647231
Energy: 1.967116782764816
Energy: 2.080202380811677
Energy: 2.346923859584797
Energy: 2.0919833477772314
Energy: 1.8910665513041707
Energy: 1.8903485994170104
Energy: 2.453448251961874
Energy: 2.0958538075730657
Energy: 2.0919218126119716
Energy: 2.1028900771861547
Energy: 2.3719628560807933
Energy: 2.08051404309862
Energy: 1.8916859348745096
Energy: 2.267741760059686
Energy: 2.327604795691583
Energy: 2.1003704749307857
Energy: 2.081058407129206
Energy: 2.5688621894099213
Energy: 2.0864221555340383
Energy: 1.968191278260899
Energy: 1.968589137679847
Energy: 1.9688500241329383
Energy: 2.2671232903936205
Energy: 2.2653726671602583
Energy: 2.250264327351618
Energy: 1.945339559797804
Energy: 2.0852534413801607
Energy: 2.453031505507983
Energy: 1.8913788765235635
Energy: 2.0790782351493284
Energy: 2.1144820784020015
Energy: 1.9684543364221387
Energy: 2.080489108911088
Energy: 1.890450609775232
Energy: 2.0906545751775907
Energy: 2.343756770113523
Energy: 1.9448032699256514
Energy: 2.1003336365404266
Energy: 2.0664506040218287
Energy: 1.945831498038802
Energy: 1.9674718067624568
Energy: 1.9689942471464645
Energy: 2.3998094991645367
Energy: 2.0796170986639733
Energy: 2.091059503831512
Energy: 2.251411200520308
Energy: 2.3283297778338725
Energy: 1.8892185665414392
Energy: 2.4524753521051643
Energy: 2.081886996543603
Energy: 2.3703297362196687
Energy: 1.9669418696967864
Energy: 1.9673049988384175
Energy: 2.081058418025534
Energy: 2.273364181668157
Energy: 2.3336833223479156
Energy: 2.0909199792787443
Energy: 2.0894045754350627
Energy: 2.567245979325354
Energy: 2.266290246268582
Energy: 1.9475031955460493
Energy: 1.9679665608028
Energy: 1.9689459649050578
Energy: 2.1062436034839402
Energy: 2.147340033256798
Energy: 2.2511824508793783

minimum gb energy = 1.7469594146965244 eV
minimum distance =  2.45565566862674 Angstroms
sigma value = 15


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

Energy: 2.8988906050980603
Energy: 2.1742119317592685
Energy: 2.1835284652417966
Energy: 2.190681996695784
Energy: 2.1847134028976303
Energy: 2.2495727860696317
Energy: 2.1403383896676247
Energy: 2.141694413324676
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Energy: 2.281369263472079
Energy: 2.4890090639164617
Energy: 2.773867843122422
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Energy: 2.3790835295490895
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Energy: 2.2049155784456036
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Energy: 2.1405019255574165
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Energy: 2.1425920106725838
Energy: 2.179504170662957
Energy: 2.213814303597723
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Energy: 2.1465488276035
Energy: 2.382453871883275
Energy: 2.54465717265409
Energy: 2.6550715926356347
Energy: 2.3175234791317285
Energy: 2.2567313014383106
Energy: 2.186020254679226
Energy: 2.18175152073948
Energy: 2.184471413895129
Energy: 2.22162666333297
Energy: 2.274101792841495
Energy: 2.4787738077317094
Energy: 2.5123177799044045
Energy: 2.4238897801443775
Energy: 2.522189701951557
Energy: 2.184985360461941
Energy: 2.183215677918159
Energy: 2.1761273930391734
Energy: 2.4671356000349176
Energy: 2.6063750713184715
Energy: 2.294526357193545
Energy: 2.172886786670011
Energy: 2.1716687527056604
Energy: 2.414278687125245
Energy: 2.1647914965910995
Energy: 2.22134239620207
Energy: 2.190887367012622
Energy: 2.176124172561838
Energy: 2.1974979058386963
Energy: 2.1770127687180167
Energy: 2.292559668010155
Energy: 2.2961088850862392
Energy: 2.6500518145943315
Energy: 2.439597353776835
Energy: 2.2968318619373784
Energy: 2.528599459919587
Energy: 2.4629278309724834
Energy: 2.176348038285592
Energy: 2.1998865920972897
Energy: 2.308933013853534
Energy: 2.3564277985953095
Energy: 2.3105902257109565
Energy: 2.385744719799567
Energy: 2.472269439604464
Energy: 2.3120451388710492
Energy: 2.450288930304296
Energy: 2.4432858972249947
Energy: 2.2609527233500724
Energy: 2.1970686050491146
Energy: 2.1983331543917783
Energy: 2.313876835170434
Energy: 2.3389770742565448
Energy: 2.164722264685218
Energy: 2.2747160683926992
Energy: 2.311229262910372
Energy: 2.135130578584185
Energy: 2.1715923818599427
Energy: 2.3540196987548483
Energy: 2.3075377804690143
Energy: 2.3083739173305435
Energy: 2.2010095598616903
Energy: 2.4308107228311537
Energy: 2.3304237610767102
Energy: 2.329635153709368
Energy: 2.335640087313857
Energy: 2.135475177259226
Energy: 2.313141702931931
Energy: 2.2886315814120466
Energy: 2.3298543454125697
Energy: 2.2064282210614294
Energy: 2.1752370788917874
Energy: 2.4748730007215443
Energy: 2.571181879584744
Energy: 2.2947072050001145
Energy: 2.458491516271456
Energy: 2.3782325447478554
Energy: 2.2950564650482246
Energy: 2.363350267154101
Energy: 2.170850593966272
Energy: 2.339909379830534
Energy: 2.4615507123622065
Energy: 2.1882866030406616
Energy: 2.239216471326153
Energy: 2.224856374079319
Energy: 2.2245278181071115
Energy: 2.1759609381735094
Energy: 2.1391381952503408
Energy: 2.429625199290453
Energy: 2.485909076609106
Energy: 2.1849204910093056
Energy: 2.1823617373029522
Energy: 2.1987824024131783
Energy: 2.183949649700403
Energy: 2.5599257976195267
Energy: 2.3592378113393946
Energy: 2.2391361291595735
Energy: 2.48278039907737
Energy: 2.143269668054114
Energy: 2.1698662017523
Energy: 2.1832804073365377
Energy: 2.1825263473307768
Energy: 2.1835974184605544
Energy: 2.1643527833221023
Energy: 2.459372082319478
Energy: 2.625316236868855
Energy: 2.5895677796068153
Energy: 2.2848817450189
Energy: 2.1419165431100717
Energy: 2.129170709465792
Energy: 2.129613311662004
Energy: 2.17089379863769
Energy: 2.1751890858888383
Energy: 2.1010940307108883
Energy: 2.572659260339908
Energy: 2.5525072266326747
Energy: 2.5486478013636398
Energy: 2.384023959939662
Energy: 2.180813948910233
Energy: 2.139686080202437
Energy: 2.14222875007197
Energy: 2.140492576078808
Energy: 2.598210423036417
Energy: 2.2912124006151053
Energy: 2.1884873057930077
Energy: 2.174904632153737
Energy: 2.4115419181827473
Energy: 2.2274967287700274
Energy: 2.6067109332797394
Energy: 2.5628708861452876
Energy: 2.1399699987355785
Energy: 2.1796148421185713
Energy: 2.1633908209133157
Energy: 2.1633532384702625
Energy: 2.1649379231214985
Energy: 2.388198739078249
Energy: 2.379134558241822
Energy: 2.7627265643029397
Energy: 2.5025110704390423
Energy: 2.2180633890262746
Energy: 2.1414081589595306
Energy: 2.2049348952954633
Energy: 2.242428062408945
Energy: 2.217256094577362
Energy: 2.18371732111804
Energy: 2.388777664602709
Energy: 2.4176979642274774
Energy: 2.429938449326407
Energy: 2.1426035975685442
Energy: 2.2186696854865757
Energy: 2.262827942416727
Energy: 2.220703099824267
Energy: 2.203695266843843
Energy: 2.315713738005808
Energy: 2.517603855356768
Energy: 2.5168252888567815
Energy: 2.4196211402390535
Energy: 2.4246742884059844
Energy: 2.1347020451507053
Energy: 2.2915981760544377
Energy: 2.248891467989656
Energy: 2.1949272032519995
Energy: 2.3763457137766437
Energy: 2.4040997644009905
Energy: 2.3881938105051264
Energy: 2.1847532055798444
Energy: 2.216341335177013
Energy: 2.330007331812902
Energy: 2.143155761408865
Energy: 2.4283774781500975
Energy: 2.4119970131127726
Energy: 2.1813651250837065
Energy: 2.1801673352622926
Energy: 2.1753280955725494
Energy: 2.382146347904615
Energy: 2.4364083554174814
Energy: 2.322240964842749
Energy: 2.5266791551520384
Energy: 2.164477035928389
Energy: 2.1665668743382107
Energy: 2.389164872250545
Energy: 2.182014946746905
Energy: 2.3749566962653605
Energy: 2.373545159112124
Energy: 2.4182461714812633
Energy: 2.437018473696983
Energy: 2.220348627140133
Energy: 2.516466311583514
Energy: 2.2482455379623723
Energy: 2.143777605996679
Energy: 2.4571364543644303
Energy: 2.3831989225992363
Energy: 2.198932706688397
Energy: 2.203776871760021
Energy: 2.1897634713306084
Energy: 2.246319304765402
Energy: 2.423587416997965
Energy: 2.3630323557055357
Energy: 2.415548521690223
Energy: 2.3942301611551526
Energy: 2.185319451501502
Energy: 2.229807241728022
Energy: 2.242793006303837
Energy: 2.247891449114358
Energy: 2.2594521843802475
Energy: 2.2213071095562715
Energy: 2.2232912056127305
Energy: 2.4365733145858357
Energy: 2.550874586266634
Energy: 2.383482566079742
Energy: 2.1628710667631554
Energy: 2.1637512070432354
Energy: 2.1665496041363954
Energy: 2.179538440710816
Energy: 2.1426514226071465
Energy: 2.560702196978495
Energy: 2.3787912236091597
Energy: 2.295782637651595
Energy: 2.2228817383430712
Energy: 2.1799425120243674
Energy: 2.186330314494411
Energy: 2.28418872254104
Energy: 2.1636017550647764
Energy: 2.343046923459316
Energy: 2.5636581337910416
Energy: 2.171675676861946
Energy: 2.195354610547201
Energy: 2.4752183328753232

minimum gb energy = 2.0995434664587456 eV
minimum distance =  2.41675326430719 Angstroms
sigma value = 437


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

Energy: 3.0052231014068607
Energy: 2.218926906466387
Energy: 2.3769211099747842
Energy: 2.3811753428710607
Energy: 2.527473288480086
Energy: 2.334613418457916
Energy: 2.3259251609697897
Energy: 2.246515151068015
Energy: 2.2222604815120977
Energy: 2.190186102047434
Energy: 2.402820366790696
Energy: 2.186714132755709
Energy: 2.463904259574608
Energy: 2.578048836048534
Energy: 2.3763127953848375
Energy: 2.2243049123770886
Energy: 2.2993883636636094
Energy: 2.3059770887027056
Energy: 2.2139603062795694
Energy: 2.4319831370437184
Energy: 2.6261024677618514
Energy: 2.3649733805471165
Energy: 2.3859680751873307
Energy: 2.325888056019908
Energy: 2.2001211614848124
Energy: 2.2942394561891097
Energy: 2.322664315613137
Energy: 2.2012302778993575
Energy: 2.2017819023805805
Energy: 2.6113234577776887
Energy: 2.507332013164706
Energy: 2.3610660946876805
Energy: 2.6092413663368332
Energy: 2.403371566084674
Energy: 2.315942207664763
Energy: 2.2010850478257518
Energy: 2.2106354305710765
Energy: 2.290441515556356
Energy: 2.585899796844044
Energy: 2.525323948787117
Energy: 2.3342707668199054
Energy: 2.6080319229877524
Energy: 2.215380092242823
Energy: 2.505993913011334
Energy: 2.3426636142534236
Energy: 2.3331538397949743
Energy: 2.498486905657381
Energy: 2.256978489233338
Energy: 2.170299391178752
Energy: 2.3023789150106158
Energy: 2.1318201869068045
Energy: 2.63763819129881
Energy: 2.2018537315387396
Energy: 2.5844657174025722
Energy: 2.523302217228508
Energy: 2.220735049188886
Energy: 2.2571676660679474
Energy: 2.3053427259356436
Energy: 2.1748309691188004
Energy: 2.1314292162690758
Energy: 2.2199396991264635
Energy: 2.6574522053491445
Energy: 2.2278944938307523
Energy: 2.357045701849101
Energy: 2.592410859268271
Energy: 2.306372401468413
Energy: 2.272270819880944
Energy: 2.279788723886794
Energy: 2.217040198872717
Energy: 2.2194685959582117
Energy: 2.2225287064663086
Energy: 2.221670146682407
Energy: 2.1992991248354614
Energy: 2.228503698686804
Energy: 2.5018949163807807
Energy: 2.3862642181843405
Energy: 2.319847241642022
Energy: 2.260175799127655
Energy: 2.2740580076255617
Energy: 2.6570407329428045
Energy: 2.4939320886886893
Energy: 2.1303098459190606
Energy: 2.2108301390946123
Energy: 2.611097065485129
Energy: 2.346187023349143
Energy: 2.226696881117965
Energy: 2.3661451427035325
Energy: 2.2780190918609655
Energy: 2.3987217223490456
Energy: 2.639143193114782
Energy: 2.5146296782510493
Energy: 2.1308502514078604
Energy: 2.174004811140977
Energy: 2.3092339681357403
Energy: 2.282931594083795
Energy: 2.2756319436552674
Energy: 2.249970672462537
Energy: 2.2859197031887764
Energy: 2.232518298377778
Energy: 2.573551929066985
Energy: 2.4053612351782045
Energy: 2.208055510813977
Energy: 2.608480850460117
Energy: 2.2265255786213283
Energy: 2.2249443449002744
Energy: 2.222144856775631
Energy: 2.3671888881875733
Energy: 2.522858836328544
Energy: 2.527256405504273
Energy: 2.3822677129357697
Energy: 2.373756527705983
Energy: 2.6120034311789015
Energy: 2.2120538365866467
Energy: 2.4851311141793806
Energy: 2.5114857268955117
Energy: 2.2169547229064657
Energy: 2.2741229936142555
Energy: 2.2578114745820095
Energy: 2.1796989798198907
Energy: 2.36175807732968
Energy: 2.4720143430580186
Energy: 2.3851017791269533
Energy: 2.132949234276796
Energy: 2.266588584080838
Energy: 2.5297687349106344
Energy: 2.2199440731985343
Energy: 2.2464577614633847
Energy: 2.36785938624872
Energy: 2.4178317278782564
Energy: 2.362625625455
Energy: 2.3639429308235247
Energy: 2.227568651058503
Energy: 2.374861851937354
Energy: 2.3813434435485092
Energy: 2.5253519784354124
Energy: 2.494988762300792
Energy: 2.479269243959688
Energy: 2.247876914872836
Energy: 2.2365458227307347
Energy: 2.420136587278588

minimum gb energy = 2.1303098459190606 eV
minimum distance =  2.425251773578 Angstroms
sigma value = 33