Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150153368711472
cohesive_energy=6.8105384573284145
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.95090349237864e-21, 3.16369002502908e-20, 1.0797388771852798e-19, 2.3108994680499e-19, 3.69497179686348e-19, 4.95683009203554e-19, 6.0077618333415e-19, 6.865535159652419e-19, 7.572767969432699e-19, 8.16592580287218e-19, 8.669826376031519e-19, 9.100026824026858e-19, 9.466364511390958e-19, 9.775937080612439e-19, 1.0034784737601478e-18, 1.02486432747078e-18, 1.04231203101504e-18, 1.0563599157419519e-18, 1.06750625858469e-18, 1.076209282060578e-18, 1.082821465029096e-18, 1.087459766384526e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.0869999416905678e-18, 1.081334645112744e-18, 1.072679686935876e-18, 1.060669770887412e-18, 1.0448691049229039e-18, 1.02472013157372e-18, 9.99561151890018e-19, 9.685846688482618e-19, 9.307957307587379e-19, 8.849462420235598e-19, 8.29466069541408e-19, 7.6236370775622e-19, 6.810997067031059e-19, 5.824536913477259e-19, 4.623064655640659e-19, 3.15359631223488e-19, 1.3463763169688279e-19, -8.944920104089319e-20, -3.7107051714093597e-19, -7.32672170374932e-19, -1.2103659403319339e-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: -9.5367431640625e-07 eV

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

Energy: 0.02118123863393092
Energy: 2.5631244995173788
Energy: 2.963212140524797
Energy: 0.021751876152504176
Energy: 0.021808037463238946
Energy: 2.5619609796872895
Energy: 0.02185265442732645
Energy: 0.25466479869501557
Energy: 0.3532731383429931
Energy: 0.7296758267473322
Energy: 0.254679428401792
Energy: 0.7302277313438257
Energy: 0.3528106964299666
Energy: 0.25435159227183546
Energy: 0.2543070677506838
Energy: 0.3529099968059785
Energy: 0.3528381602188388
Energy: 0.2545037992011912
Energy: 0.7300159496634209
Energy: 0.35289192563150645
Energy: 0.2549884892311476
Energy: 0.2542224219920367
Energy: 0.3530210453024906
Energy: 0.3530497376162102
Energy: 0.2543515523762352
Energy: 0.7300760032470986
Energy: 0.3530083405796431
Energy: 0.25449197366727827
Energy: 0.2546587381861138
Energy: 0.35572804196018326
Energy: 0.35291662749089187
Energy: 0.25520295150944533
Energy: 0.7299189337757278
Energy: 0.35286583582763054
Energy: 0.2547675578009979
Energy: 0.022320433978045093
Energy: 0.353183543356584
Energy: 0.7302668475756348
Energy: 0.02193316210689174
Energy: 0.02200953492330657
Energy: 0.3527772110529684
Energy: 0.25472526034753196

minimum gb energy = 0.02118123863393092 eV
minimum distance =  2.69162038093395 Angstroms
sigma value = 5


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

Energy: 3.7614381931460232
Energy: 2.3628568084182433
Energy: 2.4728024279748726
Energy: 2.0682517699090117
Energy: 2.2012397334086944
Energy: 2.424938749714409
Energy: 2.15729549228285
Energy: 2.3078294325601614
Energy: 2.2668888846123587
Energy: 2.310254332233899
Energy: 2.1793806780917366
Energy: 2.2506377758698686
Energy: 2.3006134095707136
Energy: 2.280288548225888
Energy: 2.120034395279393
Energy: 2.197101729339805
Energy: 2.2055072080910416
Energy: 2.153620778216094
Energy: 2.156941129538206
Energy: 2.1973209265475506
Energy: 2.1544649465572063
Energy: 2.2036688996805154
Energy: 2.222945642092826
Energy: 2.2059778625187536
Energy: 2.193544579841579
Energy: 2.2239869072154073
Energy: 2.19548133108965
Energy: 2.1731486631617534
Energy: 2.174809611226023
Energy: 2.1484025975751724
Energy: 2.176045235141227
Energy: 2.14995531113002
Energy: 2.1839915275300745
Energy: 2.174416693042221
Energy: 2.155122610275109
Energy: 2.1554062817164112
Energy: 2.172695569729387
Energy: 2.171937360191047
Energy: 2.1781381685508703
Energy: 2.1852895903618474
Energy: 2.1475365791181895
Energy: 2.1715235103561694
Energy: 2.175189486719394
Energy: 2.1634142617606713
Energy: 2.160661882630025
Energy: 2.195445233271567
Energy: 2.201998431131051
Energy: 2.140095799309151
Energy: 2.1680500801342943
Energy: 2.188434731415991
Energy: 2.153450243592357
Energy: 2.1561884489112475
Energy: 2.182530081841928
Energy: 2.1556396870721195
Energy: 2.14208987339788
Energy: 2.1959275905012916
Energy: 2.306236918229298
Energy: 2.2462847196583793
Energy: 2.1295447875927875
Energy: 2.352449758002862
Energy: 2.2447967457822986
Energy: 2.1765071979695305
Energy: 2.2510107003604993
Energy: 2.344890323342149
Energy: 2.1559925516594936
Energy: 2.2122154759298382
Energy: 2.36612900942277
Energy: 2.3144680811019858
Energy: 2.0663516583690953
Energy: 2.2454416481869757
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Energy: 2.2346413158131253
Energy: 2.1417316888330538
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Energy: 2.2367897825673713
Energy: 2.1979335055863416
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Energy: 2.151136859563207
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Energy: 2.204521224303614
Energy: 2.140703915311904
Energy: 2.187156946547267
Energy: 2.1681429269141015
Energy: 2.1596967101882
Energy: 2.1757421757014157
Energy: 2.1798157877402757
Energy: 2.18289696755439
Energy: 2.153404917066121
Energy: 2.2263880371614753
Energy: 2.0818980499162922
Energy: 2.078340546793201
Energy: 2.253139136968064
Energy: 2.116792084955011
Energy: 2.072581168658262
Energy: 2.092527928987637
Energy: 2.1412224047160575
Energy: 2.1527047220928632
Energy: 2.095334796190132
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Energy: 2.1351332918229597
Energy: 2.0767868289692237
Energy: 2.113218550475901
Energy: 2.162497676023482
Energy: 2.0589360684626747
Energy: 2.0928125758215197
Energy: 2.1322884992539635
Energy: 2.1283331258900544
Energy: 2.072827153713368
Energy: 2.1392663887366115
Energy: 2.1753076411863006
Energy: 2.054958091366338
Energy: 2.0876677294713253
Energy: 2.2109019378776695
Energy: 2.115143521649457
Energy: 2.0710007156548342
Energy: 2.190457450163599
Energy: 2.1197122493663527
Energy: 2.2392131707966056
Energy: 2.333482203339276
Energy: 2.195263433532838
Energy: 2.150142787688841
Energy: 2.26150450300484
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Energy: 2.2013837651053727
Energy: 2.250959766778851
Energy: 2.35287736575049
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Energy: 2.2670862325376064
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Energy: 2.1637915454556773
Energy: 2.2690893142187774
Energy: 2.400517884039812
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Energy: 2.2698022290909177
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Energy: 2.06853071091457
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Energy: 2.16179386326495
Energy: 2.106475860185234
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Energy: 2.038605456188833
Energy: 2.1130754930967455
Energy: 2.12891943288119
Energy: 2.026138734932273
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Energy: 2.1152526319007934
Energy: 2.03004763412069
Energy: 2.038181431053312
Energy: 2.12940734785461
Energy: 2.129160355192636
Energy: 2.0806906392270124
Energy: 2.1213792082846976
Energy: 2.1242745083354877
Energy: 2.0411902699023505
Energy: 2.055201618352227
Energy: 2.1096665499966623
Energy: 2.1154587275094614
Energy: 2.0459145056512544
Energy: 2.094565802483754
Energy: 2.1169030906904056
Energy: 2.0518835747617645
Energy: 2.206945526061491
Energy: 2.2890657499731444
Energy: 2.28744926640272
Energy: 2.2244862241909074
Energy: 2.1739241251489276
Energy: 2.148026015630034
Energy: 2.232598198841304
Energy: 2.2600273322300772
Energy: 2.153516889795189
Energy: 2.1957711663880106
Energy: 2.2187209030845816
Energy: 2.2458519962840073
Energy: 2.179414735894116
Energy: 2.300792971773404
Energy: 2.239288913085651
Energy: 2.180480238290862
Energy: 2.173310312382855
Energy: 2.2871358874549914
Energy: 2.2999464469221698
Energy: 2.150399695338091
Energy: 2.2382732710494633
Energy: 2.3310353361878415
Energy: 2.3805969041964956
Energy: 2.264268818166517
Energy: 2.1611960249755215
Energy: 2.325155020184686
Energy: 2.28811503793027
Energy: 2.169567412618848
Energy: 2.1922647388761174
Energy: 2.2600919291849273
Energy: 2.225857905826507
Energy: 2.1699004840709963
Energy: 2.0846124934593755
Energy: 2.3114926082889387
Energy: 2.331300021156291
Energy: 2.3676669568332076
Energy: 2.283704624097363
Energy: 2.2751376709948254
Energy: 2.277328836143689
Energy: 2.284247538992551
Energy: 2.2899567650421826
Energy: 2.2988628061199856
Energy: 2.069730122651221
Energy: 2.068119233564361
Energy: 2.0503968918063102
Energy: 2.116399201650985
Energy: 2.0935842998185756
Energy: 2.0466970913022653
Energy: 2.1191306962622773
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Energy: 2.0734550724401477
Energy: 2.0646973748555695
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Energy: 2.1214334759414264
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Energy: 2.1087849732242314
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Energy: 2.112507431082829
Energy: 2.1107492905972047
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Energy: 2.0826363570132194
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Energy: 2.288207608506679
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Energy: 2.259772920870415
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Energy: 2.1851442478344913
Energy: 2.339623643576943
Energy: 2.273093098511643
Energy: 2.169461808483658
Energy: 2.343422811157099
Energy: 2.3257378706993515
Energy: 2.2451256210791515
Energy: 2.109728057247916
Energy: 2.2829472403081827
Energy: 2.2827925915689593
Energy: 2.138374614136408
Energy: 2.2570640742180754
Energy: 2.3256654507626573
Energy: 2.177528711532351
Energy: 2.1503053149507894
Energy: 2.36047068489569
Energy: 2.373302577920289
Energy: 1.9954236393603315
Energy: 2.226860430378127
Energy: 2.085275550751356
Energy: 2.0626168031863803
Energy: 2.1148803678882815
Energy: 2.161680236601017
Energy: 2.0742808179347145
Energy: 2.115268560848158
Energy: 2.16151486064732
Energy: 2.0482388760406156
Energy: 2.07596767543096
Energy: 2.1287777862330453
Energy: 2.130042523986532
Energy: 2.0805790043841617
Energy: 2.122227056118
Energy: 2.116902774026807
Energy: 2.0527928847218995
Energy: 2.1124606779338664
Energy: 2.1557994054140854
Energy: 2.0985078685656817
Energy: 2.0856896011316555
Energy: 2.1614027088933803
Energy: 2.1128860453977216
Energy: 2.305460990119298
Energy: 2.242809284713566
Energy: 2.137566581186767
Energy: 2.14203297806456
Energy: 2.1848928751464274
Energy: 2.216678729593451
Energy: 2.2552206570858813
Energy: 2.1183943354064727
Energy: 2.256503066787137
Energy: 2.1803276467090056
Energy: 2.1350719924064823
Energy: 2.251755301058181
Energy: 2.1794854751331827
Energy: 2.1276789787484804
Energy: 2.14157894781548
Energy: 2.1952272843501106
Energy: 2.2188755493343066
Energy: 2.148654620404139
Energy: 2.305499308218018
Energy: 2.3532878915925637
Energy: 2.1732347251582893
Energy: 2.205688245791458
Energy: 2.3081811477530962
Energy: 2.3302196941247506
Energy: 2.141919112943678
Energy: 2.2372435108126356
Energy: 2.3271240487742038
Energy: 2.1453458545418402
Energy: 2.220671722158677
Energy: 2.3177138086966877
Energy: 2.3791604975225034
Energy: 2.1258718459575423
Energy: 2.200779330728738
Energy: 2.3571924432000237
Energy: 2.289572560255177

minimum gb energy = 1.9954236393603315 eV
minimum distance =  2.47031497120835 Angstroms
sigma value = 401


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

Energy: 3.355354439470432
Energy: 2.3536319142412783
Energy: 2.473762540551388
Energy: 2.185363007150579
Energy: 2.296780927024815
Energy: 2.3757231640711924
Energy: 2.8328320207835214
Energy: 2.1894499393450277
Energy: 2.2554843651876606
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Energy: 2.2095764588627724
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Energy: 2.4298402002601978
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Energy: 2.2595923944514014
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Energy: 2.4155316428077467
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Energy: 2.2894694258407204
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Energy: 2.3243328298830113
Energy: 2.244674685089065
Energy: 2.313444123083366
Energy: 2.3863585962683675
Energy: 2.256264608979749
Energy: 2.252204093443068
Energy: 2.364835664394532
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Energy: 2.2548427895283396
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Energy: 2.2260029476398726
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Energy: 2.168976703557762
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Energy: 2.1162502187265573
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Energy: 2.100459759290737
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Energy: 2.13225855111063
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Energy: 2.1579134554971047
Energy: 2.4949792395782904
Energy: 2.1773362666910034
Energy: 2.151887106596588
Energy: 2.2719731229491105
Energy: 2.1828908786843204
Energy: 2.1401259415960583
Energy: 2.1414196089190627
Energy: 2.2846786496771374
Energy: 2.1774334192043363
Energy: 2.152744570120856
Energy: 2.259755462366523
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Energy: 2.1231921232786024
Energy: 2.132174240544882
Energy: 2.4224645369958773
Energy: 2.1227941819016967
Energy: 2.1302706815912877
Energy: 2.426760915088907
Energy: 2.1227965707978274
Energy: 2.107431611768101
Energy: 2.138504763372994
Energy: 2.4266987861911975
Energy: 2.1230257586625605
Energy: 2.1448495113438772
Energy: 2.2608067247780137
Energy: 2.1665183416962455
Energy: 2.1626211552379786
Energy: 2.115097785621289
Energy: 2.429611300777332
Energy: 2.2950740934049625
Energy: 2.1169504226811164
Energy: 2.2449532151336578
Energy: 2.162757418253389
Energy: 2.3900882659845712
Energy: 2.372663453915648
Energy: 2.2756695605222506
Energy: 2.34439218113075
Energy: 2.3866245224510894
Energy: 2.2767003761389186
Energy: 2.331079575827433
Energy: 2.401021607055646
Energy: 2.3183825514285403
Energy: 2.2606179937129376
Energy: 2.3260030629305883
Energy: 2.402919987233984
Energy: 2.2648757557869925
Energy: 2.3224652199274467
Energy: 2.413748892663148
Energy: 2.324160927416222
Energy: 2.2830842635246116
Energy: 2.3194855448534226
Energy: 2.406404958085417
Energy: 2.27664557511984
Energy: 2.3194088068789243
Energy: 2.2676703945215033
Energy: 2.263726501564204
Energy: 2.1892036495582605
Energy: 2.2197678548135107
Energy: 2.289296869854135
Energy: 2.252616988264703
Energy: 2.1916640759414134
Energy: 2.400499085436504
Energy: 2.5154130602716895
Energy: 2.2605806232913297
Energy: 2.344445241055641
Energy: 2.263884249406604
Energy: 2.329034171377172
Energy: 2.3362202855167244
Energy: 2.2334477401970494
Energy: 2.2943921876097213
Energy: 2.18703368012548
Energy: 2.495000518491673
Energy: 2.2944767184828847
Energy: 2.1909102749644798
Energy: 2.192805063789264
Energy: 2.522176264401131
Energy: 2.509000580330422
Energy: 2.2828110418713785
Energy: 2.2999702590011455
Energy: 2.4851201498755433
Energy: 2.4184585820068243
Energy: 2.3125444904925248
Energy: 2.4168926301036664
Energy: 2.3020872211341454
Energy: 2.4425313115310776
Energy: 2.306027922909263
Energy: 2.436916023036385
Energy: 2.4410863948544015
Energy: 2.321881701722487
Energy: 2.4064363294486983
Energy: 2.471681993554501
Energy: 2.382504269534745
Energy: 2.2990439726435468
Energy: 2.481238467959
Energy: 2.4148838885330663
Energy: 2.30345005115422
Energy: 2.2249556449853083
Energy: 2.1952118190666083
Energy: 2.1958385097953386
Energy: 2.2377557174655545
Energy: 2.1899396945952345
Energy: 2.1951181736134777
Energy: 2.170664012554538
Energy: 2.2173655378003767
Energy: 2.1597705005770442
Energy: 2.217639425179666
Energy: 2.207849442751138
Energy: 2.1992250517478724
Energy: 2.187770346904357
Energy: 2.2083471230786733
Energy: 2.1828876950118294
Energy: 2.169994731797506
Energy: 2.2248302858288063
Energy: 2.1971271112920414
Energy: 2.1833601995621925
Energy: 2.181931359363887
Energy: 2.1952733240401865
Energy: 2.2333106478275666
Energy: 2.2532525954902094
Energy: 2.3507805796219228
Energy: 2.2316480470629445
Energy: 2.216356481598807
Energy: 2.2965471649237896
Energy: 2.235717916247018
Energy: 2.204802449649747
Energy: 2.1250329779008728
Energy: 2.3824272408064435
Energy: 2.2137522010180746
Energy: 2.219794558501244
Energy: 2.6772556624992703
Energy: 2.349556892955839
Energy: 2.2024421155236538
Energy: 2.2556412691159142
Energy: 2.683996386320755
Energy: 2.20249987098445
Energy: 2.2019632079081073
Energy: 2.3718764000230026
Energy: 2.20261413923893
Energy: 2.128776389288224
Energy: 2.2545644763067463
Energy: 2.3812381195221364
Energy: 2.17204777763639
Energy: 2.203477779163908
Energy: 2.569713289525551
Energy: 2.2100170543092585

minimum gb energy = 2.100459759290737 eV
minimum distance =  2.48655772730444 Angstroms
sigma value = 311


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

Energy: 2.3125430462726544
Energy: 2.410308354065501
Energy: 2.9635487901912123
Energy: 2.4299271091057806
Energy: 2.633580864332207
Energy: 2.5032462026688758
Energy: 2.302348887354329
Energy: 2.3952780739992576
Energy: 2.2917292170261416
Energy: 2.1403056921043997
Energy: 2.2153420961936567
Energy: 2.3109027967895233
Energy: 2.238443826482356
Energy: 2.18352521178362
Energy: 2.2505447968549204
Energy: 2.253892057376908
Energy: 2.1360802247369
Energy: 2.163429651885567
Energy: 2.242334305405691
Energy: 2.290008515183494
Energy: 2.236042958791716
Energy: 2.253413626038222
Energy: 2.268562308560803
Energy: 2.3318507880924004
Energy: 2.2325303781700883
Energy: 2.3039760185965976
Energy: 2.2268265590233485
Energy: 2.3181046455712333
Energy: 2.268375204980136
Energy: 2.2980685023678182
Energy: 2.202263236414313
Energy: 2.2678748287882438
Energy: 2.390507804322931
Energy: 2.2344710160661125
Energy: 2.1815894883768996
Energy: 2.464412325985182
Energy: 2.4538669119187966
Energy: 2.4433809270252906
Energy: 2.4761096432485954
Energy: 2.463942419938707
Energy: 2.442948331788123
Energy: 2.4558881596503
Energy: 2.4446510850663246
Energy: 2.4509096029230037
Energy: 2.4471454234811474
Energy: 2.4306069459257524
Energy: 2.411212903172608
Energy: 2.478856976382582
Energy: 2.4369523620835274
Energy: 2.308753326335313
Energy: 2.2836916905914797
Energy: 2.4114222389317264
Energy: 2.407586831969622
Energy: 2.3583298029394855
Energy: 2.380458658995073
Energy: 2.3841659617468696
Energy: 2.1980574911114603
Energy: 2.100121109586233
Energy: 2.289153708161847
Energy: 2.2853636095826273
Energy: 2.2670720200568817
Energy: 2.2539918442773805
Energy: 2.1791739225388618
Energy: 2.1978066757276458
Energy: 2.2722883253605843
Energy: 2.3783079600156456
Energy: 2.4425157362086436
Energy: 2.274526052873835
Energy: 2.329857455998854
Energy: 2.160479998595241
Energy: 2.130100586872003
Energy: 2.136893514003363
Energy: 2.3521384063006967
Energy: 2.312691563883894
Energy: 2.0631805157407723
Energy: 2.334864274062295
Energy: 2.26014326530512
Energy: 2.334582698705997
Energy: 2.4712754922925293
Energy: 2.3694017178116864
Energy: 2.494642260561993
Energy: 2.4830698826773934
Energy: 2.425615513148694
Energy: 2.3774060029715827
Energy: 2.4324568187203672
Energy: 2.4241323445670298
Energy: 2.441574470638831
Energy: 2.5260411936303027
Energy: 2.4669029378054335
Energy: 2.4371183608346803
Energy: 2.376875220530037
Energy: 2.169615741420605
Energy: 2.2075581812542744
Energy: 2.0944203948706703
Energy: 2.3147686419795206
Energy: 2.2095944863400927
Energy: 2.1748087772293556
Energy: 2.1276758064947123
Energy: 2.135649394305451
Energy: 2.143384295646439
Energy: 2.238904063663932
Energy: 2.345052830976853
Energy: 2.0878489748612297
Energy: 2.2316132811386633
Energy: 2.156284835758131
Energy: 2.1976917786542223
Energy: 2.152552331359399
Energy: 2.191834079891717
Energy: 2.37697438824127
Energy: 2.419176601133718
Energy: 2.2299467312055694
Energy: 2.2532230424700552
Energy: 2.2443725891905606
Energy: 2.1681510844066487
Energy: 2.272481912547223
Energy: 2.265506812085996
Energy: 2.332916315994952
Energy: 2.2537660050535977
Energy: 2.173097452371152
Energy: 2.5033734787226907
Energy: 2.4998034052801525
Energy: 2.448081010314413
Energy: 2.490501379878875
Energy: 2.546908873348357
Energy: 2.449999122162601
Energy: 2.4115227247163755
Energy: 2.483540141624662
Energy: 2.4800648371599254
Energy: 2.3882410134264047
Energy: 2.4585414008559674
Energy: 2.481607667216453
Energy: 2.429997323356143
Energy: 2.4244869307084853
Energy: 2.3136180098381387
Energy: 2.3514786782279704
Energy: 2.359185821276941
Energy: 2.2141129975091234
Energy: 2.301895268611252
Energy: 2.353048898549701
Energy: 2.3443188579180143
Energy: 2.3522645779525875
Energy: 2.417081484697125
Energy: 2.2849008119108682
Energy: 2.2939101867317375
Energy: 2.3068603845771345
Energy: 2.381888431039622
Energy: 2.2669012565377726
Energy: 2.307651499265248
Energy: 2.2709952771611315
Energy: 2.25123689910501
Energy: 2.2131475129536042
Energy: 2.287108630717275
Energy: 2.2839332681680258
Energy: 2.296317481460797
Energy: 2.3377175389969174
Energy: 2.296020053675516
Energy: 2.3650765299445626
Energy: 2.3826742276842228
Energy: 2.3166431739402285
Energy: 2.325382930559219
Energy: 2.359454502632617
Energy: 2.4518948250196626
Energy: 2.4060901526530722
Energy: 2.4283458259354225
Energy: 2.429007131211948
Energy: 2.4379471870660314
Energy: 2.442077373458466
Energy: 2.401869530730379
Energy: 2.446094642713256
Energy: 2.441779440202686
Energy: 2.433971203261034
Energy: 2.4518764063532426
Energy: 2.4150417321480075
Energy: 2.4422592247714094
Energy: 2.456434169739317
Energy: 2.2083620270315327
Energy: 2.1910228510633667
Energy: 2.2347786047085405
Energy: 2.272585500024652
Energy: 2.1358447912240806
Energy: 2.2674932426630625
Energy: 2.2233585088258474
Energy: 2.245474634818936
Energy: 2.206154897466409
Energy: 2.246119917824585
Energy: 2.2708177375606784
Energy: 2.264435353060991
Energy: 2.2115890084479477
Energy: 2.2485612241947366
Energy: 2.1830012067646827
Energy: 2.3339297389073512
Energy: 2.1682811662370454
Energy: 2.181347661073889
Energy: 2.1683850741227446
Energy: 2.363054341318346
Energy: 2.220994822555806
Energy: 2.298320036395515
Energy: 2.212545634392342
Energy: 2.2664540435870997
Energy: 2.2676418186237264
Energy: 2.2102654275882245
Energy: 2.2660005935330383
Energy: 2.2256172995169528
Energy: 2.4188606368168997
Energy: 2.469537056258829
Energy: 2.551348330779891
Energy: 2.4713014664405324
Energy: 2.397361971427998
Energy: 2.4920258120091625
Energy: 2.4257072216152955
Energy: 2.362635208872488
Energy: 2.3781457940722954
Energy: 2.4939373613456013
Energy: 2.443296353543517
Energy: 2.357985760789006
Energy: 2.4983456405497684
Energy: 2.395287835948456
Energy: 2.296982130474574
Energy: 2.2267502749152603
Energy: 2.270778895553334
Energy: 2.223555015954993
Energy: 2.236984835165337
Energy: 2.2887066749698297
Energy: 2.3503990342606857
Energy: 2.291301958460578
Energy: 2.3626582999843655
Energy: 2.4246768157372354
Energy: 2.2919589917867436
Energy: 2.2962212791507715
Energy: 2.3083609634416704
Energy: 2.387867973021636
Energy: 2.3398008765339178
Energy: 2.3157309427747563
Energy: 2.250666317818052
Energy: 2.2649240096297207
Energy: 2.3056516234380813
Energy: 2.2496159154880058
Energy: 2.320766644742301
Energy: 2.3912091864512934
Energy: 2.375531157061934
Energy: 2.4745486235562817
Energy: 2.3952316246814793
Energy: 2.42610188833461
Energy: 2.3790585798390858
Energy: 2.3680292359152566
Energy: 2.6173227662506924
Energy: 2.539086550225592
Energy: 2.4530285861888887
Energy: 2.4470925302956745
Energy: 2.4489930047139334
Energy: 2.4496596011139458
Energy: 2.320377339361081

minimum gb energy = 2.0631805157407723 eV
minimum distance =  2.42086955190268 Angstroms
sigma value = 39


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

Energy: 2.732913656826032
Energy: 2.3585798576897754
Energy: 2.651521269511777
Energy: 2.583828270899757
Energy: 2.5558257465281495
Energy: 2.5977033380931647
Energy: 2.754215219624674
Energy: 2.754215219624674
Energy: 2.2329148504141094
Energy: 2.148577374526381
Energy: 2.2179448643239392
Energy: 2.1846978847442866
Energy: 2.221149305178057
Energy: 2.2034099633208957
Energy: 2.386952243035833
Energy: 2.144777660503051
Energy: 2.1369412881303775
Energy: 2.223063700795216
Energy: 2.204687989987841
Energy: 2.207424377883494
Energy: 2.4474786160837856
Energy: 2.455243646361425
Energy: 2.1242479195009847
Energy: 2.2886514675271705
Energy: 2.2583053903347468
Energy: 2.2401152808081344
Energy: 2.154333124823224
Energy: 2.497228655256055
Energy: 2.5177811118053164
Energy: 2.14247217411222
Energy: 2.2542595828035243
Energy: 2.2257100356207045
Energy: 2.2438533871330617
Energy: 2.2181739108924057
Energy: 2.2596365082224725
Energy: 2.271270173108928
Energy: 2.194147579461985
Energy: 2.218051829008156
Energy: 2.2111453241414196
Energy: 2.2693056740387894
Energy: 2.238062699835008
Energy: 2.202201118603875
Energy: 2.2329697715846235
Energy: 2.261828291207195
Energy: 2.217143338607963
Energy: 2.2466044300693837
Energy: 2.2777895317032493
Energy: 2.2156839080882453
Energy: 2.2497480062098267
Energy: 2.254738713058903
Energy: 2.275037176620028
Energy: 2.2567586720104904
Energy: 2.2948249449160305
Energy: 2.276718477630267
Energy: 2.257541898198083
Energy: 2.320120970000484
Energy: 2.268125854146669
Energy: 2.441406125211521
Energy: 2.5715387405863313
Energy: 2.280477112610245
Energy: 2.4425836797273037
Energy: 2.5698085200566756
Energy: 2.3539352891697387
Energy: 2.2369589526843536
Energy: 2.4030546017493077
Energy: 2.485104971933797
Energy: 2.3120688277315957
Energy: 2.402229131613184
Energy: 2.5244788088836283
Energy: 2.3002960628730396
Energy: 2.252376168481493
Energy: 2.2628009110393537
Energy: 2.2080375391835103
Energy: 2.322615780951909
Energy: 2.2498014021881896
Energy: 2.2680992889260922
Energy: 2.29053252349066
Energy: 2.257375302825992
Energy: 2.1915498445462873
Energy: 2.2829929695508735
Energy: 2.2962567036091635
Energy: 2.2810821299141986
Energy: 2.216449872245247
Energy: 2.3697869216164005
Energy: 2.3562644450718926
Energy: 2.21462727952176
Energy: 2.3346232108704448
Energy: 2.2903288904511134
Energy: 2.2144698091342856
Energy: 2.117637346543078
Energy: 2.287654249454621
Energy: 2.2403755278832125
Energy: 2.2782645560432937
Energy: 2.2860915687610968
Energy: 2.235718378442411
Energy: 2.2895061742192775
Energy: 2.2663226765619577
Energy: 2.2517033974696194
Energy: 2.151037982745772
Energy: 2.4335229177668958
Energy: 2.620947520054044
Energy: 2.229212023196621
Energy: 2.25903186375785
Energy: 2.51546529120664
Energy: 2.300735057328799
Energy: 2.5654678791437178
Energy: 2.483676982627061
Energy: 2.211619649883666
Energy: 2.5526568771875575
Energy: 2.5529178263778767
Energy: 2.6108028191600945
Energy: 2.1491923224049074
Energy: 2.23830244273507
Energy: 2.286223060304655
Energy: 2.3029656000242986
Energy: 2.229640555919439
Energy: 2.2847022865579074
Energy: 2.2687868208681374
Energy: 2.2802342188896727
Energy: 2.24134196723677
Energy: 2.27048868997636
Energy: 2.255243953058274
Energy: 2.24111838196734
Energy: 2.2906445528715067
Energy: 2.234138150996759
Energy: 2.364292758321268
Energy: 2.3258978582861656
Energy: 2.1241674966042834
Energy: 2.241305147613509
Energy: 2.3417273060816766
Energy: 2.239835210959023
Energy: 2.1549390777302024
Energy: 2.4327345594069163
Energy: 2.305360198507938
Energy: 2.209235416062564
Energy: 2.1937602389516715
Energy: 2.2333239817546757
Energy: 2.305284649340324
Energy: 2.182621954818724
Energy: 2.2518404802545335
Energy: 2.273581528522364
Energy: 2.1973408129605225
Energy: 2.2104309907852406
Energy: 2.333920352605854
Energy: 2.2734701765285603
Energy: 2.2505523638993017
Energy: 2.1883028463901963
Energy: 2.2296879298586094
Energy: 2.2589458272685996
Energy: 2.200286647971024
Energy: 2.2682417326929034
Energy: 2.270435886104606
Energy: 2.2175043220221236
Energy: 2.244615920163343
Energy: 2.270333219451068
Energy: 2.289205931736247
Energy: 2.2853791331387288
Energy: 2.301641312712692
Energy: 2.2916859437348904
Energy: 2.2933453234931136
Energy: 2.3188378356754002
Energy: 2.257386144810464
Energy: 2.4271273223821854
Energy: 2.5358765044529807
Energy: 2.3176306974082848
Energy: 2.4290915880239603
Energy: 2.532537753649361
Energy: 2.3402181026419604
Energy: 2.238201948888609
Energy: 2.40508483439423
Energy: 2.4989104127990855
Energy: 2.284607261674925
Energy: 2.407310525921706
Energy: 2.517357885546408
Energy: 2.295160094801036
Energy: 2.2500826749120706
Energy: 2.258735003982715
Energy: 2.2604447070279896
Energy: 2.23249789012286
Energy: 2.21102824443065
Energy: 2.253829013090399
Energy: 2.3079110915695495
Energy: 2.29674863906314
Energy: 2.1913969092470027
Energy: 2.2636119044534677
Energy: 2.220322543200881
Energy: 2.2194865664668577
Energy: 2.2599807425607805
Energy: 2.3190819764809376
Energy: 2.3164237293338417
Energy: 2.214766135225297
Energy: 2.361537695702762
Energy: 2.2903118734296086
Energy: 2.214797434296784
Energy: 2.1162566086915024
Energy: 2.525410742159735
Energy: 2.3855738661773693
Energy: 2.268866090911897
Energy: 2.1357302236567186
Energy: 2.220877271191448
Energy: 2.2037010488194486
Energy: 2.2449411238057007
Energy: 2.447819734441014
Energy: 2.2735157664121424
Energy: 2.4179854843632778
Energy: 2.56449097934369
Energy: 2.217897184907848
Energy: 2.16495663845863
Energy: 2.4779827988925054
Energy: 2.220166853755829

minimum gb energy = 2.1162566086915024 eV
minimum distance =  2.45815628615584 Angstroms
sigma value = 21


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

Energy: 2.871221966194814
Energy: 2.1040448176684228
Energy: 2.006993869793583
Energy: 2.1752373573119543
Energy: 2.3214408189018183
Energy: 2.2623236623404823
Energy: 2.32600367352483
Energy: 2.32600367352483
Energy: 2.1381179725626787
Energy: 2.1524814172341094
Energy: 2.1673968994728647
Energy: 2.154410682093297
Energy: 2.156424038048115
Energy: 2.1671015526643074
Energy: 2.185519511356742
Energy: 2.0952389861011667
Energy: 2.054747038112323
Energy: 2.0283850064821873
Energy: 2.1926908224929673
Energy: 2.1322479711414144
Energy: 2.046831636170894
Energy: 2.137049074440653
Energy: 2.0014937107994895
Energy: 2.005313720662374
Energy: 2.1434594161432736
Energy: 2.183043237932579
Energy: 2.0730332323713965
Energy: 2.1429328121648847
Energy: 2.0667556062042696
Energy: 1.9497808268381522
Energy: 2.0557864705008257
Energy: 2.0437685562668806
Energy: 2.060666225967302
Energy: 1.9526459453406952
Energy: 2.053762585078441
Energy: 2.035661664091337
Energy: 2.0363342967923166
Energy: 2.041539343747783
Energy: 1.963238240364582
Energy: 2.0470047826759203
Energy: 2.00034126081807
Energy: 2.0477411328727
Energy: 2.0020632362841675
Energy: 2.019099898465999
Energy: 1.9271007689984705
Energy: 2.024726471833694
Energy: 2.0007440111685284
Energy: 1.9717311328934626
Energy: 1.9599706321251833
Energy: 1.96488389247301
Energy: 2.0235234813085268
Energy: 2.084687266910003
Energy: 1.9637744245056041
Energy: 2.0280264308305678
Energy: 2.0507077964799323
Energy: 2.0202778490647977
Energy: 1.9143252336075072
Energy: 1.9278636104482167
Energy: 2.045032057699725
Energy: 1.9841294399851026
Energy: 1.9290092670980674
Energy: 2.0330086780217815
Energy: 1.986584413186339
Energy: 1.8393461117132142
Energy: 1.842406144244351
Energy: 1.9831957417119834
Energy: 1.915515061280138
Energy: 1.8410279610614089
Energy: 1.9871456032161916
Energy: 1.9618757323229326
Energy: 1.9790879234727208
Energy: 1.9862529796642665
Energy: 2.0016827906561185
Energy: 2.0033985762000777
Energy: 1.9876879785858472
Energy: 1.9959806799156672
Energy: 1.9957788442867168
Energy: 2.004104274243904
Energy: 1.9934777116993758
Energy: 2.002974661103913
Energy: 1.9916643208730775
Energy: 1.9964172051500746
Energy: 1.9885669253697833
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Energy: 2.043592311010595
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Energy: 1.954847640737436
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Energy: 2.0623977048837996
Energy: 2.0694590017126884
Energy: 2.044892990433315
Energy: 2.0773482176621028
Energy: 2.0782844641655767
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Energy: 2.0481779307783627
Energy: 2.0478103094753166
Energy: 1.948517945733954
Energy: 2.0904168575282935
Energy: 2.1172213844470464
Energy: 2.131746403823414
Energy: 2.214603386510789
Energy: 2.1432886975542425
Energy: 2.1177209722331725
Energy: 2.029137461670673
Energy: 2.1221686657977163
Energy: 2.1371833745794606
Energy: 2.1158341193018817
Energy: 2.1537980488977215
Energy: 2.1548869282372705
Energy: 2.130762293690433
Energy: 2.120187722260354
Energy: 2.1676696062430327
Energy: 2.1391196605651017
Energy: 2.0864858192982667
Energy: 2.168481314265898
Energy: 2.175928010493869
Energy: 2.0684775947802234
Energy: 2.1363291574063212
Energy: 2.1751660531485855
Energy: 2.1747598944334876
Energy: 2.09029048273979
Energy: 2.168304613665849
Energy: 2.175734543182815
Energy: 2.1592183900884225
Energy: 2.0735267730573987
Energy: 2.175469542809387
Energy: 2.166173677410032
Energy: 2.1391934615925443
Energy: 2.1545086601468304
Energy: 2.1685381939335824
Energy: 2.1542761644964203
Energy: 2.1395901511352506
Energy: 2.167251976853994
Energy: 2.174957281335314
Energy: 2.1177658338649246
Energy: 2.213163801829097
Energy: 2.1753126350436487
Energy: 2.1696165843269273
Energy: 2.1598024892839587
Energy: 2.155083241547887

minimum gb energy = 1.8392438830469742 eV
minimum distance =  2.47216725734167 Angstroms
sigma value = 113


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

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Energy: 1.909892014294734
Energy: 1.7538456494297099
Energy: 2.0613446321076343
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Energy: 1.6481273528255618
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Energy: 1.887805761983169
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Energy: 2.0172334304102946
Energy: 1.8593902488268594
Energy: 1.891138534978225
Energy: 1.809300199758854
Energy: 2.071868633758399
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Energy: 1.8909026635162605
Energy: 1.9094591689636236
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Energy: 1.893884139901585
Energy: 1.8771465328288954
Energy: 1.922601511225366
Energy: 1.8082253821699885
Energy: 1.9458046467459416
Energy: 1.9041378930473947
Energy: 1.9495877552995342
Energy: 1.898167789469831
Energy: 1.9456626028577955
Energy: 1.80791653426867
Energy: 1.9692046518393038
Energy: 1.885775065276174
Energy: 2.020165171832162
Energy: 1.779850011520732
Energy: 1.8963383478621614
Energy: 1.9660355902034228
Energy: 1.9195516151089476
Energy: 1.879624200058959
Energy: 1.8678731814692087
Energy: 1.9066565166119502
Energy: 1.953734341297279
Energy: 1.900040347961547
Energy: 1.8700000579125207
Energy: 1.933073696756423
Energy: 1.8912988104803368
Energy: 1.9009917504486855
Energy: 1.9670948411533
Energy: 1.9585752321031822
Energy: 1.83604047592213
Energy: 1.9478322389581528
Energy: 1.934976091212367
Energy: 1.878338097992949
Energy: 1.870156471126588
Energy: 1.8934999238977552
Energy: 1.8940697025833295
Energy: 1.819325747085108
Energy: 1.7502200671103603

minimum gb energy = 1.6481273528255618 eV
minimum distance =  2.47215373154804 Angstroms
sigma value = 365


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

Energy: 2.2195241971950925