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
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: -9.5367431640625e-07 eV

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

Energy: 0.02123467446682182
Energy: 0.3392642531981321
Energy: 0.02123467446682182
Energy: 0.3392642531971579
Energy: 0.02123467446682182
Energy: 0.33926425319846926
Energy: 0.02123467446682182
Energy: 0.02251587069882439
Energy: 0.743030653118754
Energy: 0.02251587069882439
Energy: 0.7430306531180797
Energy: 0.02251587069882439
Energy: 0.7430306531177425
Energy: 0.022515870699161597
Energy: 0.8819506894260626
Energy: 0.6695263690464305
Energy: 0.8819506894250885
Energy: 0.6695263690454188
Energy: 0.8819506894260626
Energy: 0.6695263690460932
Energy: 0.8819506894250885
Energy: 0.02251587069983601
Energy: 0.743030653118754
Energy: 0.022515870700135745
Energy: 0.7430306531200654
Energy: 0.022515870700135745
Energy: 0.7430306531184169
Energy: 0.022515870700472954
Energy: 0.021234674466484613
Energy: 0.33926425319846926
Energy: 0.021234674466184877
Energy: 0.33926425319846926
Energy: 0.021234674466484613
Energy: 0.33926425319846926
Energy: 0.021234674466184877
Energy: 0.022515870699498806
Energy: 0.743030653118754
Energy: 0.022515870700135745
Energy: 0.7430306531193911
Energy: 0.02251587069983601
Energy: 0.7430306531190914
Energy: 0.022515870700472954

minimum gb energy = 0.021234674466184877 eV
minimum distance =  2.72230656118486 Angstroms
sigma value = 5


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

Energy: 2.302937057083824
Energy: 2.624178641081189
Energy: 2.302937057087852
Energy: 2.624178641081189
Energy: 2.302937057083824
Energy: 2.624178641081189
Energy: 2.302937057087852
Energy: 2.1936382412850577
Energy: 2.177902868557293
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Energy: 2.177902868561321
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Energy: 2.177902868557293
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Energy: 2.162120796802026
Energy: 2.0779233323311592
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Energy: 2.077923332327131
Energy: 2.1621207968100817
Energy: 2.025541890107135
Energy: 2.206347310707379
Energy: 2.025541890107135
Energy: 2.206347310711407
Energy: 2.025541890107135
Energy: 2.206347310707379
Energy: 2.025541890107135
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Energy: 2.2179492910769967
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Energy: 2.2266881576155817
Energy: 2.2062522804783518
Energy: 2.2266881576196096
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Energy: 2.2266881576155817
Energy: 2.2062522804783518
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Energy: 2.046328900377561
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Energy: 2.046328900377561
Energy: 2.1959190770202914
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Energy: 2.216989489635029
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Energy: 2.25994589300575
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Energy: 2.1550200414030316
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Energy: 2.0437003118654227
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Energy: 2.0437003118573664
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Energy: 2.2780590703787102
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Energy: 2.278059070370654
Energy: 2.306678447631513
Energy: 2.2780590703787102
Energy: 2.3066784476274846
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Energy: 2.0904207571698
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Energy: 2.2127835604771833
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Energy: 2.200275520830701
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Energy: 2.284287039319004
Energy: 2.2105152467925375
Energy: 2.284287039319004
Energy: 2.2105152468005937
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Energy: 2.257156820694375
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Energy: 2.2571568206984027
Energy: 2.1524499936797583
Energy: 2.257156820694375
Energy: 2.1524499936797583
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Energy: 2.2228627033016224
Energy: 2.1225109438366343
Energy: 2.222862703297594
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Energy: 2.222862703297594
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Energy: 2.064067369385785
Energy: 2.0874603370037663
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Energy: 2.143844862452413
Energy: 2.277098530692572
Energy: 2.143844862456442
Energy: 2.2770985306966
Energy: 2.143844862452413
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Energy: 2.203575208886125
Energy: 2.31064345678893
Energy: 2.2035752088740406
Energy: 2.3106434567808734
Energy: 2.203575208886125
Energy: 2.31064345678893
Energy: 2.2035752088740406
Energy: 2.154302372938246
Energy: 2.208327919831983
Energy: 2.154302372938246
Energy: 2.208327919831983
Energy: 2.154302372938246
Energy: 2.208327919831983
Energy: 2.154302372938246
Energy: 2.077408927873324
Energy: 2.184199359411893
Energy: 2.0774089278773524
Energy: 2.1841993594159206
Energy: 2.077408927873324
Energy: 2.184199359411893
Energy: 2.0774089278773524
Energy: 2.022432930951978
Energy: 2.1351620785351173
Energy: 2.0224329309600346
Energy: 2.1351620785351173
Energy: 2.022432930951978
Energy: 2.1351620785351173
Energy: 2.0224329309600346
Energy: 2.043729139241236
Energy: 2.1986127136812463
Energy: 2.043729139237208
Energy: 2.198612713689303
Energy: 2.043729139241236
Energy: 2.1986127136812463
Energy: 2.043729139237208
Energy: 2.109136134528845
Energy: 2.1677087870299667
Energy: 2.109136134532873
Energy: 2.1677087870339946
Energy: 2.109136134528845
Energy: 2.1677087870299667
Energy: 2.109136134528845

minimum gb energy = 1.9972307725332776 eV
minimum distance =  2.47872843961896 Angstroms
sigma value = 401


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

Energy: 2.469402652564151
Energy: 2.315382437391107
Energy: 2.469402652562322
Energy: 2.3153824373901926
Energy: 2.469402652564151
Energy: 2.315382437390691
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Energy: 2.1052235587490986
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Energy: 2.2148085895063043
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Energy: 2.3396901282084475
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Energy: 2.2401879483105422
Energy: 2.2621593703699046
Energy: 2.240187948312371
Energy: 2.2621593703630043
Energy: 2.2401879483174425
Energy: 2.262159370368076
Energy: 2.2401879483137845
Energy: 2.1175777715142337
Energy: 2.2167149759118336
Energy: 2.1175777715124044
Energy: 2.2167149759132467
Energy: 2.1175777715124044
Energy: 2.2167149759118336
Energy: 2.117577771520136
Energy: 2.1163729738386325
Energy: 2.191923777546236
Energy: 2.1163729738373025
Energy: 2.191923777543908
Energy: 2.11637297383406
Energy: 2.191923777545737
Energy: 2.1163729738386325
Energy: 2.082823647965851
Energy: 2.135911320246351
Energy: 2.0828236479649362
Energy: 2.135911320246351
Energy: 2.082823647965352
Energy: 2.13591132024685
Energy: 2.0828236479649362
Energy: 2.208924512875475
Energy: 2.108803079552854
Energy: 2.208924512871402
Energy: 2.1088030795565116
Energy: 2.20892451287506
Energy: 2.1088030795532697
Energy: 2.208924512876889
Energy: 2.3381573738171872
Energy: 2.3066242615544343
Energy: 2.3381573738130306
Energy: 2.3066242615594224
Energy: 2.338157373816273
Energy: 2.3066242615590067
Energy: 2.338157373813945
Energy: 2.1253843965629
Energy: 2.232942726021804
Energy: 2.1253843965615697
Energy: 2.232942726023633
Energy: 2.1253843965601567
Energy: 2.232942726021804
Energy: 2.1253843965588266

minimum gb energy = 2.062700086302828 eV
minimum distance =  2.50246808173652 Angstroms
sigma value = 311


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

Energy: 2.2383210262829967
Energy: 2.375985354130456
Energy: 2.238321026280357
Energy: 2.375985354129928
Energy: 2.238321026280357
Energy: 2.375985354128872
Energy: 2.2383210262814135
Energy: 2.1370790997963782
Energy: 2.08753406276087
Energy: 2.1370790997963782
Energy: 2.087534062759286
Energy: 2.1370790997947946
Energy: 2.087534062759814
Energy: 2.1370790997947946
Energy: 2.184743673364032
Energy: 2.1544652253582486
Energy: 2.184664566921316
Energy: 2.1543586524195435
Energy: 2.1847436733645607
Energy: 2.1544652253577206
Energy: 2.1846645669228995
Energy: 2.245143647023587
Energy: 2.2141483466501453
Energy: 2.2136915591500785
Energy: 2.2141483466501453
Energy: 2.2451436470214747
Energy: 2.2141483466496172
Energy: 2.2136915591542548
Energy: 2.285143029926702
Energy: 2.3642959289417216
Energy: 2.284874561276492
Energy: 2.3642959289411936
Energy: 2.285143029926702
Energy: 2.3642959289427776
Energy: 2.284874561276492
Energy: 2.0265825327959948
Energy: 2.172429200775561
Energy: 2.0265825327959948
Energy: 2.1724292007745043
Energy: 2.026582532797579
Energy: 2.1724292007750323
Energy: 2.026582532797051
Energy: 2.0170475321283106
Energy: 2.1939584015316917
Energy: 2.0170475321288386
Energy: 2.1939584015311633
Energy: 2.0170475321293666
Energy: 2.1939584015316917
Energy: 2.017047532127783
Energy: 2.368101169655669
Energy: 2.2663217968711042
Energy: 2.4376985430451925
Energy: 2.2663217968705767
Energy: 2.368101169653029
Energy: 2.2663217968705767
Energy: 2.4376985430446645
Energy: 2.32133795140538
Energy: 2.277473068647218
Energy: 2.362199167026551
Energy: 2.2774730686466897
Energy: 2.3213379514048524
Energy: 2.277473068647218
Energy: 2.362199167027607
Energy: 2.099922747622964
Energy: 2.2144282516635805
Energy: 2.099630627509761
Energy: 2.2139494873241974
Energy: 2.099922747625076
Energy: 2.2144282516625244
Energy: 2.099630627510817
Energy: 2.183563214347358
Energy: 2.2095081408655948
Energy: 2.2063662456816187
Energy: 2.2095771406377986
Energy: 2.1835632143510537
Energy: 2.2095081408650663
Energy: 2.2063662456832027
Energy: 2.4137606894109407
Energy: 2.3614432049492193
Energy: 2.4137606894093566
Energy: 2.3610598300409635
Energy: 2.4137606894098846
Energy: 2.3614432049481633
Energy: 2.4137606894109407
Energy: 2.2113675351154183
Energy: 2.217080783239313
Energy: 2.211367535115946
Energy: 2.217080783240369
Energy: 2.211367535115946
Energy: 2.2170807832387847
Energy: 2.211367535113834
Energy: 2.05865217333163
Energy: 2.1075740259609885
Energy: 2.05865217333163
Energy: 2.1075740259604605
Energy: 2.0586521733321583
Energy: 2.107574025958877
Energy: 2.0586521733311023
Energy: 2.25026907977333
Energy: 2.146298801965387
Energy: 2.25026907977333
Energy: 2.146298801963803
Energy: 2.250269079771746
Energy: 2.1462988019643308
Energy: 2.2502690797749136
Energy: 2.139987802846315
Energy: 2.224178713882249
Energy: 2.1399878028457864
Energy: 2.224178713882249
Energy: 2.139987802846843
Energy: 2.224178713880665
Energy: 2.1399878028457864
Energy: 2.16940554574317
Energy: 2.111054237058664
Energy: 2.169489915267045
Energy: 2.111054237058136
Energy: 2.169405545744178
Energy: 2.1110542370576075
Energy: 2.169489915269157
Energy: 2.1355350678671745
Energy: 2.2804616687863284
Energy: 2.1353667490500396
Energy: 2.280547819410083
Energy: 2.1355350678666465
Energy: 2.280461668785801
Energy: 2.1353667490505677
Energy: 2.3320195494064757
Energy: 2.4250923537236897
Energy: 2.207239753564818
Energy: 2.425092353725802
Energy: 2.332019549404364
Energy: 2.425092353725802
Energy: 2.207239753563762
Energy: 2.307905545796403
Energy: 2.3635960498106776
Energy: 2.3079158348871243
Energy: 2.363588469810673
Energy: 2.307905545796403
Energy: 2.3635960498122612
Energy: 2.3079158348860687
Energy: 2.071346605795281
Energy: 2.0567182832566204
Energy: 2.0713466057942256
Energy: 2.056718283256141
Energy: 2.071346605794753
Energy: 2.056718283255613
Energy: 2.071346605795281
Energy: 2.112449464094915
Energy: 2.2682262889648164
Energy: 2.112449464097555
Energy: 2.2599735731059187
Energy: 2.1124494640970273
Energy: 2.2682262889648164
Energy: 2.112449464097555
Energy: 2.4186237964578003
Energy: 2.3804381122048235
Energy: 2.4186237964588564
Energy: 2.3804381122042955
Energy: 2.4186237964588564
Energy: 2.3804381122032394
Energy: 2.4186237964583284
Energy: 2.287023654470069
Energy: 2.3893289757988185
Energy: 2.2870236544695404
Energy: 2.3893289757988185
Energy: 2.2870236544690132
Energy: 2.3893289757988185
Energy: 2.2870236544705964
Energy: 2.1630614346198245
Energy: 2.1398150952339186
Energy: 2.1630778644173936
Energy: 2.139812767249752
Energy: 2.163061434621409
Energy: 2.139815095237086
Energy: 2.1630778644179216
Energy: 2.360729055727856
Energy: 2.3931207684695055
Energy: 2.3607767333912
Energy: 2.393639652537593
Energy: 2.36072905572944
Energy: 2.3931207684663374
Energy: 2.3607767333906717
Energy: 2.3738779257043894
Energy: 2.380640897918917
Energy: 2.374287605518514
Energy: 2.380640897918917
Energy: 2.3738779257043894
Energy: 2.380640897919445
Energy: 2.3742876055195694
Energy: 2.170715916288637
Energy: 2.184761447343085
Energy: 2.170715916287053
Energy: 2.1847614473441412
Energy: 2.170715916286525
Energy: 2.1847614473462533
Energy: 2.1707159162875813
Energy: 2.045136734143716
Energy: 2.1034895120842436
Energy: 2.045136734144772
Energy: 2.1034895120852997
Energy: 2.0451367341431883
Energy: 2.1034895120842436
Energy: 2.0451367341431883
Energy: 2.2013452592470752
Energy: 2.1852648887030917
Energy: 2.311278141902236
Energy: 2.184958199593329
Energy: 2.201345259244963
Energy: 2.1852648887030917
Energy: 2.311278141902236
Energy: 2.3312235272168293
Energy: 2.2972897049325773
Energy: 2.453696174760553
Energy: 2.297289704934689
Energy: 2.331223527217885
Energy: 2.2972897049315217
Energy: 2.455380679073838
Energy: 2.161151990285158
Energy: 2.209805245100463
Energy: 2.15110842177535
Energy: 2.209128317401453
Energy: 2.1611519902819905
Energy: 2.20980524510363
Energy: 2.151108421774822
Energy: 2.1251239860014732
Energy: 2.1649656508626856
Energy: 2.1249912143900977
Energy: 2.164870527135167
Energy: 2.1251239860025293
Energy: 2.1649656508626856
Energy: 2.1249912143932654
Energy: 2.376707251023936
Energy: 2.4353216386122076
Energy: 2.376707251024992
Energy: 2.4434593448723745
Energy: 2.376707251024992
Energy: 2.435321638611151
Energy: 2.3767072510223524
Energy: 2.322366546728884
Energy: 2.3289869811825143
Energy: 2.3369284830451504
Energy: 2.3289412724779908
Energy: 2.322366546730996
Energy: 2.3289869811840984
Energy: 2.3369284830467345
Energy: 2.0529131799164744
Energy: 2.1130727516908006
Energy: 2.0529131799159464
Energy: 2.113072751691856
Energy: 2.052913179918058
Energy: 2.113072751691856
Energy: 2.052913179918058

minimum gb energy = 2.017047532127783 eV
minimum distance =  2.4064089448093 Angstroms
sigma value = 39


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

Energy: 2.2894671158295754
Energy: 2.2520950134793427
Energy: 2.186992229048396
Energy: 2.2520950134805893
Energy: 2.2894671158345603
Energy: 2.252095013479966
Energy: 2.186992229048396
Energy: 2.2765490024031894
Energy: 2.0722439339929704
Energy: 2.151745352560471
Energy: 2.0720918832366313
Energy: 2.2765490024025663
Energy: 2.072243933993593
Energy: 2.1517453525635295
Energy: 2.3690948094171924
Energy: 2.1668130727504233
Energy: 2.369070882825285
Energy: 2.1668025999686575
Energy: 2.369094809415323
Energy: 2.166813072748554
Energy: 2.369070882824039
Energy: 2.3651961349419546
Energy: 2.087682906107888
Energy: 2.3651961349450694
Energy: 2.0777550099777926
Energy: 2.3651961349444464
Energy: 2.0876829061060183
Energy: 2.3651961349425776
Energy: 2.225145807270975
Energy: 2.039604185674229
Energy: 2.2439676951248972
Energy: 2.039484468990813
Energy: 2.2251458072740906
Energy: 2.039604185672983
Energy: 2.2439676951217824
Energy: 2.2015484004366948
Energy: 2.052414864594916
Energy: 2.2015484004360717
Energy: 2.0524148645967855
Energy: 2.2015484004366948
Energy: 2.0524148645967855
Energy: 2.2015484004385644
Energy: 2.3439090230885653
Energy: 2.0401641326391644
Energy: 2.344820963065345
Energy: 2.040164132641657
Energy: 2.343909023090435
Energy: 2.0401641326372952
Energy: 2.3448209630640986
Energy: 2.276876090402585
Energy: 2.075523203031553
Energy: 2.2768760904032077
Energy: 2.075523203031553
Energy: 2.276876090400092
Energy: 2.075523203033422
Energy: 2.2768760904007155
Energy: 2.2596047333172904
Energy: 2.073156819100052
Energy: 2.259604733318537
Energy: 2.073156819100675
Energy: 2.2596047333160447
Energy: 2.073156819103167
Energy: 2.2596047333179134
Energy: 2.184335265212654
Energy: 2.2540005285280094
Energy: 2.1843352652132775
Energy: 2.254000528524894
Energy: 2.184335265212654
Energy: 2.254000528524271
Energy: 2.184335265211408
Energy: 2.306955694006364
Energy: 2.231215668662041
Energy: 2.3069556940101017
Energy: 2.237638912346868
Energy: 2.306955694008233
Energy: 2.231215668662041
Energy: 2.306955694008233
Energy: 2.2174712193280253
Energy: 2.0749413925457336
Energy: 2.2174536261509843
Energy: 2.074926646945068
Energy: 2.217471219329272
Energy: 2.074941392542052
Energy: 2.217453626152231
Energy: 2.2656176885890495
Energy: 2.0952655421688466
Energy: 2.2646800424220186
Energy: 2.0952686291626295
Energy: 2.2656176885828185
Energy: 2.0952655421694697
Energy: 2.264680042417657
Energy: 2.153814835709194
Energy: 2.040091692812732
Energy: 2.1538148357054547
Energy: 2.040127068730573
Energy: 2.1538148357042086
Energy: 2.040091692809616
Energy: 2.1538148357048317
Energy: 2.1864044422081683
Energy: 2.1524718923440425
Energy: 2.1869018362750086
Energy: 2.152471892345289
Energy: 2.186404442203807
Energy: 2.1524718923427963
Energy: 2.1869018362756316
Energy: 2.1536955107540883
Energy: 2.0404584939265273
Energy: 2.153695510755958
Energy: 2.0404584939253376
Energy: 2.153695510755958
Energy: 2.040458493930266
Energy: 2.153695510755335
Energy: 2.2878748162959357
Energy: 2.075222215571695
Energy: 2.287874816298429
Energy: 2.075222215574187
Energy: 2.287874816296559
Energy: 2.0752222155729414
Energy: 2.2878748162940665
Energy: 2.1731669117280195
Energy: 2.0751699336078016
Energy: 2.1731669117261503
Energy: 2.0751699336090472
Energy: 2.1731669117261503
Energy: 2.0751699336121634
Energy: 2.173166911727396
Energy: 2.2802668823599532
Energy: 2.0672324545515406
Energy: 2.1525697062362967
Energy: 2.0719502929378097
Energy: 2.280266882361823
Energy: 2.0672324545540333
Energy: 2.1525697062387894
Energy: 2.261957021436191
Energy: 2.2503405505165355
Energy: 2.184324921929052
Energy: 2.2503405505159124
Energy: 2.2619570214355673
Energy: 2.250340550514666
Energy: 2.184324921928429
Energy: 2.351310041799924
Energy: 2.0729475326537137
Energy: 2.3155709188101548
Energy: 2.0730293902355323
Energy: 2.351310041793693
Energy: 2.0729475326568294
Energy: 2.3155709188101548
Energy: 2.30799860164079
Energy: 2.0754196915822987
Energy: 2.3075421218550387
Energy: 2.075329272899944
Energy: 2.30799860164079
Energy: 2.07541969157856
Energy: 2.3075421218606467
Energy: 2.3610184565573133
Energy: 2.0419424010713385
Energy: 2.3610184565591825
Energy: 2.042048371913799
Energy: 2.3610184565554437
Energy: 2.0419424010713385
Energy: 2.36101845655669
Energy: 2.1983055053730216
Energy: 2.116798435101249
Energy: 2.1960892500164135
Energy: 2.1167867548992736
Energy: 2.198305505375514
Energy: 2.116798435101249
Energy: 2.1960892500157905
Energy: 2.222586222631551
Energy: 2.0399176888959416
Energy: 2.222586222630928
Energy: 2.0399176888953185
Energy: 2.2225862226327973
Energy: 2.0399176888946955
Energy: 2.222586222632174
Energy: 2.2988784870552275
Energy: 2.0916823837348195
Energy: 2.2984582004045038
Energy: 2.0916823837341965
Energy: 2.2988784870552275
Energy: 2.0916823837360656
Energy: 2.298458200403257
Energy: 2.3065259492445955
Energy: 2.166799618424697
Energy: 2.306525949245219
Energy: 2.1667996184240734
Energy: 2.3065259492445955
Energy: 2.1667996184240734
Energy: 2.306525949245219
Energy: 2.1509926044921044
Energy: 2.0728872403100866
Energy: 2.1509926044908583
Energy: 2.0728872403094636
Energy: 2.1509926044952197
Energy: 2.0728872403100866
Energy: 2.1509926044939736
Energy: 2.1869922290477724
Energy: 2.252095013479966
Energy: 2.1869922290490185
Energy: 2.2520950134793427
Energy: 2.1869922290477724
Energy: 2.2520950134812123
Energy: 2.1869922290490185
Energy: 2.151745352561094
Energy: 2.138164083365687
Energy: 2.1517453525592245
Energy: 2.1381881698873952
Energy: 2.1517453525641526
Energy: 2.138164083362572
Energy: 2.151745352566022

minimum gb energy = 2.039484468990813 eV
minimum distance =  2.46481891209455 Angstroms
sigma value = 21


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

Energy: 2.0753904191225976
Energy: 2.1408562542534932
Energy: 2.075390419123354
Energy: 2.1408562542557625
Energy: 2.0753904191225976
Energy: 2.1408562542542495
Energy: 2.075390419123354
Energy: 2.010319983484383
Energy: 1.9597133614358722
Energy: 2.010319983484383
Energy: 1.959713361435116
Energy: 2.010319983484383
Energy: 1.959713361436629
Energy: 2.010319983484383
Energy: 2.0500070645417416
Energy: 2.0427982458700846
Energy: 2.050007064540985
Energy: 2.0427982458700846
Energy: 2.0500070645417416
Energy: 2.0427982458700846
Energy: 2.050007064540985
Energy: 1.9062232789914058
Energy: 1.968620301395786
Energy: 1.906223278992162
Energy: 1.968620301395786
Energy: 1.9062232789914058
Energy: 1.9686203013950294
Energy: 1.906223278992162
Energy: 1.8858647665978405
Energy: 1.981276547647527
Energy: 1.8858647665978405
Energy: 1.981276547647527
Energy: 1.8858647665978405
Energy: 1.9812765476482832
Energy: 1.8858647665978405
Energy: 1.9208719925876396
Energy: 1.9781981978332843
Energy: 1.9208719925861264
Energy: 1.978198197832528
Energy: 1.9208719925876396
Energy: 1.9781981978332843
Energy: 1.920871992586883
Energy: 1.8316714607288886
Energy: 2.0369425448172804
Energy: 1.8316714607296452
Energy: 2.036942544815767
Energy: 1.8316714607288886
Energy: 2.0369425448180363
Energy: 1.8316714607296452
Energy: 1.9143506448717378
Energy: 1.9596219401326809
Energy: 1.914350644870225
Energy: 1.9596219401304116
Energy: 1.9143506448709815
Energy: 1.9596219401326809
Energy: 1.914350644870225
Energy: 1.97965857808186
Energy: 1.8806906112592756
Energy: 1.9796585780811036
Energy: 1.8806906112592756
Energy: 1.9796585780811036
Energy: 1.8806906112592756
Energy: 1.9796585780811036
Energy: 1.9236902705730128
Energy: 2.215517965726204
Energy: 1.9236902705722567
Energy: 2.2155179657239343
Energy: 1.9236902705730128
Energy: 2.215517965726204
Energy: 1.9236902705730128
Energy: 1.830307571588809
Energy: 2.0567862190224897
Energy: 1.8303075715895654
Energy: 2.0567862190224897
Energy: 1.830307571588809
Energy: 2.0567862190224897
Energy: 1.8303075715903216
Energy: 1.886362684137877
Energy: 2.064789479729155
Energy: 1.886362684137877
Energy: 2.064789479729155
Energy: 1.886362684137877
Energy: 2.064789479729155
Energy: 1.886362684137877
Energy: 1.9596127093868179
Energy: 1.921238759490209
Energy: 1.9596127093875741
Energy: 1.9212387594909652
Energy: 1.9596127093868179
Energy: 1.9212387594894524
Energy: 1.9596127093875741
Energy: 2.0433692571714737
Energy: 2.2388354870974747
Energy: 2.0433692571729862
Energy: 2.2388354870989877
Energy: 2.0433692571707174
Energy: 2.2388354870974747
Energy: 2.043369257169961
Energy: 1.99295776887759
Energy: 2.0202456839635667
Energy: 1.9929577688768336
Energy: 2.0202456839635667
Energy: 1.99295776887759
Energy: 2.0202456839635667
Energy: 1.9929577688768336
Energy: 2.055720025853483
Energy: 2.0861933711782075
Energy: 2.0557200258527257
Energy: 2.086193371177451
Energy: 2.055720025853483
Energy: 2.0861933711782075
Energy: 2.055720025853483
Energy: 2.0543337324924016
Energy: 1.966831038096569
Energy: 2.054333732493158
Energy: 1.9668310380958125
Energy: 2.0543337324924016
Energy: 1.966831038096569
Energy: 2.054333732493158
Energy: 2.061309779588207
Energy: 2.2379701871159607
Energy: 2.061309779588207
Energy: 2.2379701871159607
Energy: 2.061309779588207
Energy: 2.2379701871159607
Energy: 2.061309779588207
Energy: 1.9418828186371853
Energy: 1.954277441873302
Energy: 1.9418828186356727
Energy: 1.9542774418740585
Energy: 1.9418828186371853
Energy: 1.954277441873302
Energy: 1.9418828186356727
Energy: 1.8849372359086074
Energy: 1.9815191604711686
Energy: 1.8849372359086074
Energy: 1.9815191604711686
Energy: 1.8849372359086074
Energy: 1.9815191604711686
Energy: 1.8849372359086074
Energy: 1.9336639446533688
Energy: 2.0608959817615795
Energy: 1.9336639446541253
Energy: 2.0608959817615795
Energy: 1.9336639446533688
Energy: 2.0608959817615795
Energy: 1.9336639446541253
Energy: 1.828923394654476
Energy: 2.0071923264966878
Energy: 1.8289233946522072
Energy: 2.0071923264966878
Energy: 1.828923394654476
Energy: 2.0071923264966878
Energy: 1.8289233946529635
Energy: 1.9757401993028707
Energy: 1.9543049637904515
Energy: 1.9757401993028707
Energy: 1.9543049637912078
Energy: 1.9757401993028707
Energy: 1.9543049637904515
Energy: 1.9757401993028707
Energy: 1.9773161899690848
Energy: 1.93516753132535
Energy: 1.9773161899683285
Energy: 1.9351675313245937
Energy: 1.9773161899690848
Energy: 1.93516753132535
Energy: 1.9773161899683285
Energy: 1.9303422585739387
Energy: 2.0283445742575616
Energy: 1.9303422585716694
Energy: 2.028344574255292
Energy: 1.9303422585739387
Energy: 2.0283445742575616
Energy: 1.9303422585716694

minimum gb energy = 1.8289233946522072 eV
minimum distance =  2.48609037261951 Angstroms
sigma value = 113


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

Energy: 1.8058195213073827
Energy: 1.8843135880676758
Energy: 1.8058195213082269
Energy: 1.884313588063915
Energy: 1.8058195213073827
Energy: 1.8843135880672923
Energy: 1.8058195213078432
Energy: 1.767119000297334
Energy: 1.840147810922769
Energy: 1.767119000296106
Energy: 1.840147810924918
Energy: 1.7671190002990227
Energy: 1.8401478109236133
Energy: 1.767119000296106
Energy: 1.828425878676261
Energy: 1.802507445232103
Energy: 1.8284258786796384
Energy: 1.8025074452245042
Energy: 1.82842587867841
Energy: 1.8025074452245042
Energy: 1.8284258786779497
Energy: 1.8246867401103024
Energy: 1.8110176344522997
Energy: 1.82468674011414
Energy: 1.8110176344404798
Energy: 1.824686740113296
Energy: 1.8110176344455455
Energy: 1.824686740110763
Energy: 1.7622932984219974
Energy: 1.8337469776562814
Energy: 1.7622932984275235
Energy: 1.8337469776520599
Energy: 1.7622932984207693
Energy: 1.8337469776520599
Energy: 1.7622932984228414
Energy: 1.7890662884913975
Energy: 1.7201122860670504
Energy: 1.7890662884938535
Energy: 1.720112286059912
Energy: 1.7890662884871755
Energy: 1.720112286054386
Energy: 1.7890662884989195
Energy: 1.7589109995006158
Energy: 1.755190666602175
Energy: 1.7589109994972387
Energy: 1.7551906666030197
Energy: 1.7589109994926333
Energy: 1.7551906665996422
Energy: 1.758910999506526
Energy: 1.7793095326826818
Energy: 1.7798313632728897
Energy: 1.779309532688592
Energy: 1.7798313632644467
Energy: 1.7793095326894364
Energy: 1.7798313632644467
Energy: 1.7793095326894364
Energy: 1.7379532045663564
Energy: 1.7367509643962138
Energy: 1.737953204557069
Energy: 1.7367509643945251
Energy: 1.7379532045579134
Energy: 1.7367509643889991
Energy: 1.737953204562979
Energy: 1.7354691386267158
Energy: 1.7081735688906228
Energy: 1.735469138630093
Energy: 1.7081735688923112
Energy: 1.7354691386270995
Energy: 1.708173568891467
Energy: 1.735469138630093
Energy: 1.6975956336552593
Energy: 1.6720596919240114
Energy: 1.697595633652266
Energy: 1.6720596919227062
Energy: 1.697595633657332
Energy: 1.6720596919273119
Energy: 1.6975956336514981
Energy: 1.723936481437666
Energy: 1.7111211188471076
Energy: 1.7239364814372056
Energy: 1.7111211188454187
Energy: 1.723936481437666
Energy: 1.7111211188471076
Energy: 1.7239364814326004
Energy: 1.6601052921446844
Energy: 1.7477894153142848
Energy: 1.6601052921480615
Energy: 1.7477894153193505
Energy: 1.6601052921396187
Energy: 1.7477894153159736
Energy: 1.6601052921379298
Energy: 1.713942538103642
Energy: 1.6637102835847248
Energy: 1.7139425381014928
Energy: 1.6637102835779702
Energy: 1.7139425381031816
Energy: 1.6637102835851085
Energy: 1.713942538101109
Energy: 1.7420211179148628
Energy: 1.6464858720161366
Energy: 1.742021117915707
Energy: 1.6464858720161366
Energy: 1.7420211179165515
Energy: 1.6464858720195137
Energy: 1.742021117919084
Energy: 1.6634858025948664
Energy: 1.970090917813431
Energy: 1.6634858025914896
Energy: 1.9700909178125865
Energy: 1.6634858025953272
Energy: 1.9700909178151198
Energy: 1.6634858025911057
Energy: 1.59685284689518
Energy: 1.7287483372659498
Energy: 1.5968528468909582
Energy: 1.7287483372701713
Energy: 1.5968528468947194
Energy: 1.7287483372667942
Energy: 1.5968528468909582
Energy: 1.6696119285808833
Energy: 1.7208772214507455
Energy: 1.6696119285800388
Energy: 1.7208772214460633
Energy: 1.6696119285808833
Energy: 1.7208772214511292
Energy: 1.6696119285800388
Energy: 1.7526783675994173
Energy: 1.6244904652954213
Energy: 1.7526783675989566
Energy: 1.6244904652941166
Energy: 1.7526783676070157
Energy: 1.6244904652954213
Energy: 1.7526783676087045
Energy: 1.7136808288287917
Energy: 1.830022029427449
Energy: 1.7136808288313246
Energy: 1.8300220294286769
Energy: 1.7136808288279475
Energy: 1.8300220294291376
Energy: 1.7136808288313246
Energy: 1.8128601998108709
Energy: 1.6501664426715859
Energy: 1.812860199808722
Energy: 1.6501664426660596
Energy: 1.8128601998104106
Energy: 1.6501664426715859
Energy: 1.812860199808722
Energy: 1.732652943001277
Energy: 1.713912821900018
Energy: 1.732652943002505
Energy: 1.7139128219042394
Energy: 1.7326529430008162
Energy: 1.713912821900018
Energy: 1.7326529430029654
Energy: 1.7113916810618082
Energy: 1.6851042148068622
Energy: 1.711391681055514
Energy: 1.6851042148089346
Energy: 1.7113916810618082
Energy: 1.685104214806402
Energy: 1.711391681055514
Energy: 1.693647413394161
Energy: 1.9364047948446712
Energy: 1.6936474133907835
Energy: 1.9364047948421386
Energy: 1.693647413394161
Energy: 1.9364047948446712
Energy: 1.6936474133899395
Energy: 1.8156423257460503
Energy: 1.7223967278164318
Energy: 1.8156423257443615
Energy: 1.7223967278164318
Energy: 1.8156423257468945
Energy: 1.7223967278155874
Energy: 1.8156423257443615
Energy: 1.8032451142829078
Energy: 1.737510559922477
Energy: 1.8032451142796073
Energy: 1.7375105599237817
Energy: 1.803245114283368
Energy: 1.7375105599216325
Energy: 1.8032451142804518
Energy: 1.7564404257855026
Energy: 1.8951023988405504
Energy: 1.756440425786347
Energy: 1.895102398839706
Energy: 1.7564404257855026
Energy: 1.8951023988400897
Energy: 1.7564404257867305
Energy: 1.746715005634845
Energy: 1.9693071944040064
Energy: 1.7467150056361498
Energy: 1.9693071944065392
Energy: 1.7467150056356895
Energy: 1.9693071944040064
Energy: 1.7467150056356895
Energy: 1.9160293920363398
Energy: 1.7965607561870554
Energy: 1.9160293920397171
Energy: 1.7965607561891275
Energy: 1.9160293920371843
Energy: 1.7965607561963426
Energy: 1.9160293920401776
Energy: 1.8420423087105098
Energy: 1.7644892894720072
Energy: 1.8420423087113542
Energy: 1.764489289469858
Energy: 1.8420423087147313
Energy: 1.7644892894635642
Energy: 1.8420423087142705
Energy: 1.7588583427386733
Energy: 1.9366149603880396
Energy: 1.7588583427483448
Energy: 1.9366149603914167
Energy: 1.7588583427420508
Energy: 1.9366149603939498
Energy: 1.7588583427378293
Energy: 1.7241009955330842
Energy: 1.9495917305584225
Energy: 1.7241009955310118
Energy: 1.9495917305486745
Energy: 1.7241009955356168
Energy: 1.9495917305596504
Energy: 1.7241009955373057
Energy: 1.864174598528257
Energy: 1.7142416784341719
Energy: 1.8641745985277962
Energy: 1.7142416784358605
Energy: 1.864174598528257
Energy: 1.7142416784346326
Energy: 1.8641745985227303
Energy: 1.8066585120179743
Energy: 1.7328397031226586
Energy: 1.8066585120107597
Energy: 1.7328397031437663
Energy: 1.8066585120095313
Energy: 1.7328397030863536
Energy: 1.8066585120192027
Energy: 1.7766841220872744
Energy: 1.902879426906224
Energy: 1.776684122083897
Energy: 1.902879426910906
Energy: 1.7766841220872744
Energy: 1.902879426909217
Energy: 1.7766841220847414
Energy: 1.7238323960833415
Energy: 1.8618436089174748
Energy: 1.7238323960816528
Energy: 1.8618436089157862
Energy: 1.723832396082881
Energy: 1.8618436089187798
Energy: 1.723832396082497
Energy: 1.8316743518950556
Energy: 1.7042854115123467
Energy: 1.831674351899661
Energy: 1.7042854115123467
Energy: 1.8316743518954393
Energy: 1.7042854115030592
Energy: 1.831674351899661
Energy: 1.6939625430099412
Energy: 1.6716543900494254
Energy: 1.6939625430082523
Energy: 1.6716543900481973
Energy: 1.6939625430061032
Energy: 1.671654390051114
Energy: 1.6939625430107854
Energy: 1.7084152252925793
Energy: 1.6764954526228448
Energy: 1.7084152252870533
Energy: 1.676495452620312
Energy: 1.708415225289586
Energy: 1.676495452622384
Energy: 1.7084152252963407
Energy: 1.6583017494219028
Energy: 1.881838923136979
Energy: 1.6583017494210581
Energy: 1.8818389231352903
Energy: 1.65830174941937
Energy: 1.8818389231319128
Energy: 1.658301749426124
Energy: 1.6790119490798356
Energy: 1.6546030611402602
Energy: 1.6790119490840572
Energy: 1.6546030611419489
Energy: 1.679011949079452
Energy: 1.6546030611407208
Energy: 1.6790119490840572
Energy: 1.7317802823491664
Energy: 1.6562075800093718
Energy: 1.7317802823470938
Energy: 1.6562075800035385
Energy: 1.7317802823521597
Energy: 1.6562075800035385
Energy: 1.7317802823521597
Energy: 1.7142298215035021
Energy: 1.8285342764588945
Energy: 1.7142298215051908
Energy: 1.8285342763934993
Energy: 1.7142298215039626
Energy: 1.828534276484147
Energy: 1.7142298215056515
Energy: 1.597509235448864
Energy: 1.7284859371577292
Energy: 1.597509235443798
Energy: 1.7284859371602626
Energy: 1.5975092354497082
Energy: 1.728485937156885
Energy: 1.597509235443798
Energy: 1.6826597793557716
Energy: 1.717619851596697
Energy: 1.6826597793553881
Energy: 1.7176198515937033
Energy: 1.6826597793557716
Energy: 1.717619851596697
Energy: 1.6826597793553881

minimum gb energy = 1.5968528468909582 eV
minimum distance =  2.47880345516972 Angstroms
sigma value = 365


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

Energy: 0.65551053349553
Energy: 0.6876629584621788
Energy: 0.6555105334964818
Energy: 0.6876629584621788
Energy: 0.65551053349553
Energy: 0.6876629584621788
Energy: 0.6555105334974336
Energy: 4.642524430448743
Energy: 2.069241315552973
Energy: 4.642524430451599
Energy: 2.069241315554877
Energy: 4.642524430448743
Energy: 2.069241315552973
Energy: 4.642524430448743
Energy: 0.6555105334964818
Energy: 0.6876629584631307
Energy: 0.6555105334945782
Energy: 0.6876629584640825
Energy: 0.6555105334964818
Energy: 0.6876629584631307
Energy: 0.6555105334945782
Energy: 4.642524430449694
Energy: 2.0692413155539247
Energy: 4.642524430447791
Energy: 2.0692413155539247
Energy: 4.6425244304506466
Energy: 2.0692413155539247
Energy: 4.642524430447791
Energy: 0.6555105334964818
Energy: 0.6876629584621788
Energy: 0.65551053349553
Energy: 0.6876629584612272
Energy: 0.6555105334964818
Energy: 0.6876629584621788
Energy: 0.65551053349553
Energy: 3.6234560630168113
Energy: 2.069241315554877
Energy: 3.6234560700237277
Energy: 2.069241315552973
Energy: 3.623456063034895
Energy: 2.069241315554877
Energy: 3.623456126782739
Energy: 0.6555105334945782
Energy: 0.6876629584640825
Energy: 0.6555105334964818
Energy: 0.6876629584640825
Energy: 0.6555105334945782
Energy: 0.6876629584640825
Energy: 0.6555105334964818
Energy: 3.6234561116377817
Energy: 2.0692413155520213
Energy: 3.623456533633436
Energy: 2.069241315554877
Energy: 3.6234562932495553
Energy: 2.0692413155520213
Energy: 3.6234561284124323
Energy: 0.6555105334964818
Energy: 0.6876629584612272
Energy: 0.65551053349553
Energy: 0.6876629584621788
Energy: 0.6555105334964818
Energy: 0.6876629584612272
Energy: 0.65551053349553
Energy: 3.6234562411684124
Energy: 2.069241315552973
Energy: 3.6234565976961517
Energy: 2.0692413155539247
Energy: 3.6234561211382346
Energy: 2.069241315552973
Energy: 3.6234565746443526
Energy: 0.6555105334964818
Energy: 0.6876629584631307
Energy: 0.6555105334945782
Energy: 0.6876629584631307
Energy: 0.6555105334964818
Energy: 0.6876629584640825
Energy: 0.6555105334945782
Energy: 3.489926476270772
Energy: 2.069241315554877
Energy: 3.489926460333357
Energy: 2.0692413155520213
Energy: 3.4899263364881157
Energy: 2.069241315554877
Energy: 3.4899265241182773
Energy: 0.6555105334964818
Energy: 0.6876629584631307
Energy: 0.6555105334974336
Energy: 0.6876629584631307
Energy: 0.6555105334964818
Energy: 0.6876629584621788
Energy: 0.6555105334974336
Energy: 3.4899263915546577
Energy: 2.0692413155520213
Energy: 3.4899264284813265
Energy: 2.0692413155539247
Energy: 3.4899263439050405
Energy: 2.0692413155520213
Energy: 3.4899263348641325
Energy: 0.6555105334964818
Energy: 0.6876629584631307
Energy: 0.6555105334945782
Energy: 0.6876629584640825
Energy: 0.6555105334964818
Energy: 0.6876629584621788
Energy: 0.6555105334945782
Energy: 3.489926510192053
Energy: 2.069241315552973
Energy: 3.4899266095926276
Energy: 2.069241315552973
Energy: 3.489926561098203
Energy: 2.069241315552973
Energy: 3.4899265487379454
Energy: 0.6555105334964818
Energy: 0.6876629584621788
Energy: 0.6555105334964818
Energy: 0.6876629584612272
Energy: 0.6555105334964818
Energy: 0.6876629584621788
Energy: 0.65551053349553
Energy: 3.489926237746834
Energy: 2.069241315554877
Energy: 3.4899264635137874
Energy: 2.0692413155520213
Energy: 3.489926251042319
Energy: 2.069241315554877
Energy: 3.489926387475168
Energy: 0.65551053349553
Energy: 0.6876629584640825
Energy: 0.6555105334964818
Energy: 0.6876629584640825
Energy: 0.65551053349553
Energy: 0.6876629584640825
Energy: 0.6555105334964818
Energy: 3.489926663204521
Energy: 2.069241315551069
Energy: 3.489926520298498
Energy: 2.069241315554877
Energy: 3.4899265752346875
Energy: 2.069241315551069
Energy: 3.489926742614841

minimum gb energy = 0.6555105334945782 eV
minimum distance =  2.44041938217112 Angstroms
sigma value = 23