Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Mo__MO_230319944007_000
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=3.150138273835182
cohesive_energy=6.810539053672873
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: 0.0 eV

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

Energy: 0.02123438538939483
Energy: 0.3392409045664202
Energy: 0.02123438538939483
Energy: 0.3392409045664202
Energy: 0.02123438538939483
Energy: 0.3392409045664202
Energy: 0.02123438538939483
Energy: 0.022522643782497544
Energy: 0.7431928235031794
Energy: 0.022522643782497544
Energy: 0.7431928235025049
Energy: 0.022522643782497544
Energy: 0.7431928235031794
Energy: 0.022522643782160335
Energy: 0.8821414883760313
Energy: 0.6693428352851652
Energy: 0.8821414883763686
Energy: 0.6693428352864766
Energy: 0.8821414883763686
Energy: 0.6693428352831795
Energy: 0.8821414883760313
Energy: 0.022522643783808912
Energy: 0.7431928235018306
Energy: 0.022522643783509173
Energy: 0.7431928235034791
Energy: 0.022522643783808912
Energy: 0.7431928235001819
Energy: 0.022522643783171963
Energy: 0.02123438538939483
Energy: 0.33924090456612044
Energy: 0.021234385389057624
Energy: 0.3392409045664202
Energy: 0.021234385389732043
Energy: 0.3392409045664202
Energy: 0.021234385389057624
Energy: 0.022522643783808912
Energy: 0.7431928235038162
Energy: 0.022522643783171963
Energy: 0.7431928235025049
Energy: 0.022522643783808912
Energy: 0.7431928235038162
Energy: 0.022522643783171963

minimum gb energy = 0.021234385389057624 eV
minimum distance =  2.72230720307206 Angstroms
sigma value = 5


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

Energy: 2.3028898415969046
Energy: 2.6237918722350857
Energy: 2.3028898416049612
Energy: 2.623791872239113
Energy: 2.3028898415969046
Energy: 2.6237918722350857
Energy: 2.3028898416049612
Energy: 2.193572013974719
Energy: 2.17787287659578
Energy: 2.193572013978747
Energy: 2.177872876587724
Energy: 2.193572013974719
Energy: 2.17787287659578
Energy: 2.193572013978747
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Energy: 2.077928565955439
Energy: 2.1621118178096586
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Energy: 2.077928565955439
Energy: 2.1621118178096586
Energy: 2.0255499428047585
Energy: 2.2063623929076686
Energy: 2.025549942808786
Energy: 2.2063623929116964
Energy: 2.0255499428047585
Energy: 2.2063623929076686
Energy: 2.0255499428047585
Energy: 2.022561274631202
Energy: 2.217976822561268
Energy: 2.022561274631202
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Energy: 2.2266254359210897
Energy: 2.2062148172151703
Energy: 2.226625435929146
Energy: 2.2062148172191987
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Energy: 2.2062148172151703
Energy: 2.226625435929146
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Energy: 2.091310188054154
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Energy: 2.179279000532146
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Energy: 2.1309934595973177
Energy: 2.057294326647507
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Energy: 2.195944131330444
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Energy: 2.2169881938441574
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Energy: 2.2169881938441574
Energy: 2.158075778944628
Energy: 2.2169881938441574
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Energy: 2.2169881938441574
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Energy: 2.103974970607973
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Energy: 2.2934270041968747
Energy: 2.2599289837751013
Energy: 2.293427004204931
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Energy: 2.2934270041968747
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Energy: 2.3023553833434938
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Energy: 2.2209641328614325
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Energy: 2.2341163046430235
Energy: 2.2209641328614325
Energy: 2.31161847741169
Energy: 2.2617549792894462
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Energy: 2.261754979285418
Energy: 2.31161847741169
Energy: 2.2617549792894462
Energy: 2.31161847741169
Energy: 2.0437121157812954
Energy: 2.2483717298732553
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Energy: 2.2483717298772827
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Energy: 2.2483717298772827
Energy: 2.0437121157853237
Energy: 2.3066765392543984
Energy: 2.2780612058505567
Energy: 2.3066765392503696
Energy: 2.278061205846529
Energy: 2.3066765392543984
Energy: 2.2780612058505567
Energy: 2.3066765392503696
Energy: 2.1059681321993216
Energy: 2.0904239870197707
Energy: 2.1059681321993216
Energy: 2.090423987023799
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Energy: 2.0904239870197707
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Energy: 2.498539450821463
Energy: 2.212425394159967
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Energy: 2.1680158541845485
Energy: 2.1075045496673437
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Energy: 2.0699732871181507
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Energy: 2.1082799009925495
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Energy: 2.1082799009885216
Energy: 2.0234190572093875
Energy: 2.2553029757061935
Energy: 2.0234190572134154
Energy: 2.2553029757061935
Energy: 2.0234190572093875
Energy: 2.2553029757061935
Energy: 2.0234190572134154
Energy: 2.0652478580024844
Energy: 2.212811781881766
Energy: 2.0652478580105402
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Energy: 2.0652478580024844
Energy: 2.212811781881766
Energy: 2.0652478580105402
Energy: 2.2272685671768846
Energy: 2.2002516802055947
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Energy: 2.200251680201567
Energy: 2.227268567180913
Energy: 2.2002516802055947
Energy: 2.2272685671768846
Energy: 2.2842657368740023
Energy: 2.210490511782753
Energy: 2.2842657368740023
Energy: 2.210490511782753
Energy: 2.2842657368740023
Energy: 2.210490511782753
Energy: 2.2842657368740023
Energy: 2.1524447593159906
Energy: 2.257166519474634
Energy: 2.1524447593079343
Energy: 2.2571665194786616
Energy: 2.1524447593159906
Energy: 2.257166519474634
Energy: 2.152444759311962
Energy: 2.1224896834900524
Energy: 2.222858637251547
Energy: 2.1224896834860245
Energy: 2.2228586372555754
Energy: 2.1224896834900524
Energy: 2.222858637251547
Energy: 2.1224896834860245
Energy: 2.0874390764444026
Energy: 2.0640799431580192
Energy: 2.0874390764444026
Energy: 2.064079943162047
Energy: 2.0874390764444026
Energy: 2.0640799431580192
Energy: 2.0874390764444026
Energy: 2.2766965827890755
Energy: 2.14383716258603
Energy: 2.2766965827890755
Energy: 2.14383716258603
Energy: 2.2766965827890755
Energy: 2.14383716258603
Energy: 2.2766965827890755
Energy: 2.20354194336244
Energy: 2.3106801245544015
Energy: 2.203541943350429
Energy: 2.3106801245503736
Energy: 2.20354194336244
Energy: 2.3106801245503736
Energy: 2.203541943350429
Energy: 2.154322470416174
Energy: 2.208297852558499
Energy: 2.1543224704202024
Energy: 2.2082978525625276
Energy: 2.154322470416174
Energy: 2.208297852558499
Energy: 2.1543224704202024
Energy: 2.0773409089835675
Energy: 2.184196579459056
Energy: 2.0773409089835675
Energy: 2.184196579459056
Energy: 2.0773409089835675
Energy: 2.184196579459056
Energy: 2.0773409089835675
Energy: 2.022440156468539
Energy: 2.13517440634681
Energy: 2.0224401564765953
Energy: 2.13517440634681
Energy: 2.022440156468539
Energy: 2.13517440634681
Energy: 2.0224401564765953
Energy: 2.043731687064552
Energy: 2.1985669475861274
Energy: 2.043731687064552
Energy: 2.1985669475820995
Energy: 2.04373168706858
Energy: 2.1985669475861274
Energy: 2.043731687064552
Energy: 2.1090794558800785
Energy: 2.167689104525374
Energy: 2.1090794558800785
Energy: 2.167689104525374
Energy: 2.1090794558800785
Energy: 2.167689104525374
Energy: 2.1090794558800785

minimum gb energy = 1.9972398803483138 eV
minimum distance =  2.47891037048251 Angstroms
sigma value = 401


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

Energy: 2.3384844239888363
Energy: 2.309136480322616
Energy: 2.2237490772756336
Energy: 2.3091364803244447
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Energy: 2.3091364803294328
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Energy: 2.1248248763064663
Energy: 2.1565801621837557
Energy: 2.0363681514108816
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Energy: 2.133316893454754
Energy: 2.1959347091515165
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Energy: 2.2910536987351975
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Energy: 2.146762353793325
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Energy: 2.298112443211026
Energy: 2.146762353790166
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Energy: 2.0807091728574836
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Energy: 2.080709172853327
Energy: 2.143528843361599
Energy: 2.0807091728560705
Energy: 2.2084789959272584
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Energy: 2.1163728783998246
Energy: 2.112081715682162
Energy: 2.208478995924016
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Energy: 2.1163728783965823
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Energy: 2.309136480322616
Energy: 2.2237490772760493
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Energy: 2.338484423981105
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Energy: 2.2237490772756336
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Energy: 2.1956996004507694
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Energy: 2.091775631395655
Energy: 2.3711948525597997
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Energy: 2.3519023420544793
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Energy: 2.091638785031858
Energy: 2.295763326436171
Energy: 2.0916387850341858
Energy: 2.2013581075585336
Energy: 2.3231007634649123
Energy: 2.2013581075585336
Energy: 2.3231007634685703
Energy: 2.2013581075585336
Energy: 2.3231007634713134
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Energy: 2.322071705349345
Energy: 2.1973040692313432
Energy: 2.3220717053539173
Energy: 2.19730406922993
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Energy: 2.197304069233588
Energy: 2.252719865174901
Energy: 2.3872743580509095
Energy: 2.2526430347509185
Energy: 2.387272193105843
Energy: 2.2527198651744853
Energy: 2.387274358045922
Energy: 2.2526430347527477
Energy: 2.2523793473545655
Energy: 2.3860893306381312
Energy: 2.2523964300030213
Energy: 2.3860864952660092
Energy: 2.252379347358722
Energy: 2.38608933063306
Energy: 2.2523964300057644
Energy: 2.145132582171815
Energy: 2.291053698736112
Energy: 2.146546557995693
Energy: 2.2910536987370262
Energy: 2.1451325821722307
Energy: 2.291053698737941
Energy: 2.1465465579998497
Energy: 2.148455586190028
Energy: 2.298112443205955
Energy: 2.1467623537956526
Energy: 2.2981124432096127
Energy: 2.1484555861927714
Energy: 2.2981124432077835
Energy: 2.146762353796983
Energy: 2.080709172856985
Energy: 2.1435288433694133
Energy: 2.080709172855655
Energy: 2.143528843361599
Energy: 2.0807091728524125
Energy: 2.143528843361599
Energy: 2.080709172856569
Energy: 2.1163728784020694
Energy: 2.112081715683991
Energy: 2.2084789959304176
Energy: 2.1120817156834923
Energy: 2.116372878397497
Energy: 2.1120817156785043
Energy: 2.2084789959258453
Energy: 2.2237490772778785
Energy: 2.3091364803244447
Energy: 2.3384844239870075
Energy: 2.3091364803276035
Energy: 2.2237490772783777
Energy: 2.309136480331262
Energy: 2.338484423979692
Energy: 2.03636815141587
Energy: 2.1568508772072277
Energy: 2.124824876300481
Energy: 2.1565801621846705
Energy: 2.0363681514112977
Energy: 2.1568508772049833
Energy: 2.124824876305552

minimum gb energy = 2.0363681514108816 eV
minimum distance =  2.50209196693765 Angstroms
sigma value = 311


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

Energy: 2.2653205873383957
Energy: 2.4770575133231763
Energy: 2.265248188091005
Energy: 2.4771438741220573
Energy: 2.2653205873389237
Energy: 2.4770575133242327
Energy: 2.265248188092061
Energy: 2.12927235706139
Energy: 2.2037012010538524
Energy: 2.1293117084620086
Energy: 2.2035463533557325
Energy: 2.129272357060862
Energy: 2.2037012010517407
Energy: 2.129311708463065
Energy: 2.16241712512316
Energy: 2.323240307387732
Energy: 2.162416918019692
Energy: 2.323221258292929
Energy: 2.1624171251221034
Energy: 2.3232403073893155
Energy: 2.162416918021276
Energy: 2.312340151786388
Energy: 2.3122762207326644
Energy: 2.271177975223884
Energy: 2.3122762207326644
Energy: 2.3123401517848046
Energy: 2.3122762207326644
Energy: 2.2711779752249397
Energy: 2.3109391893721885
Energy: 2.2638619942612195
Energy: 2.3109463603552483
Energy: 2.2638619942606915
Energy: 2.310939189370604
Energy: 2.2638619942628035
Energy: 2.310946360356304
Energy: 2.108174529730373
Energy: 2.38397621024337
Energy: 2.108174529732485
Energy: 2.3839787468404547
Energy: 2.108174529731957
Energy: 2.383976210242842
Energy: 2.108174529730373
Energy: 2.107767810797509
Energy: 2.3877054425065287
Energy: 2.107767810795925
Energy: 2.386587319666061
Energy: 2.107767810796981
Energy: 2.387705442503361
Energy: 2.1077678107990927
Energy: 2.325042118911202
Energy: 2.27861012146409
Energy: 2.325042118911202
Energy: 2.2786101214656735
Energy: 2.3250421189117296
Energy: 2.2786101214635615
Energy: 2.3250421189122576
Energy: 2.2838492287119228
Energy: 2.2846967694098823
Energy: 2.2838492287124508
Energy: 2.2846967694098823
Energy: 2.283849228711395
Energy: 2.2846967694093547
Energy: 2.2838492287119228
Energy: 2.092790175600277
Energy: 2.399550989228726
Energy: 2.0928168738569504
Energy: 2.3995634374117913
Energy: 2.092790175601333
Energy: 2.3995509892271416
Energy: 2.0928168738569504
Energy: 2.198719948725541
Energy: 2.384973213432266
Energy: 2.1988224741565
Energy: 2.3849990351521
Energy: 2.1987199487281806
Energy: 2.3849732134306825
Energy: 2.1988224741543885
Energy: 2.296091084635911
Energy: 2.2980202022178844
Energy: 2.296091084635383
Energy: 2.2980202022178844
Energy: 2.296091084635911
Energy: 2.298020202218941
Energy: 2.296091084636439
Energy: 2.1701825782612123
Energy: 2.263082689870223
Energy: 2.1701825782591
Energy: 2.263082689865999
Energy: 2.1701825782591
Energy: 2.263082689865999
Energy: 2.1701825782569886
Energy: 2.1181626992991083
Energy: 2.1826680516122865
Energy: 2.1181626992996363
Energy: 2.182668051613342
Energy: 2.1181626992996363
Energy: 2.1826680516122865
Energy: 2.1181626993001643
Energy: 2.2951584425258136
Energy: 2.287952155157583
Energy: 2.396748975688336
Energy: 2.1469721443949443
Energy: 2.2951584425247575
Energy: 2.287952155157055
Energy: 2.396748975688864
Energy: 2.1400009007089635
Energy: 2.283758923570602
Energy: 2.2542851169731706
Energy: 2.283758923570602
Energy: 2.1400009007105476
Energy: 2.283758923569018
Energy: 2.2542851169678912
Energy: 2.1695783888968476
Energy: 2.1668653699370393
Energy: 2.1913459802707203
Energy: 2.166724469730018
Energy: 2.1695783888968476
Energy: 2.1668653699380958
Energy: 2.1913459802712483
Energy: 2.1825535435056653
Energy: 2.1119929567317404
Energy: 2.182660208770372
Energy: 2.11201904000229
Energy: 2.182553543508833
Energy: 2.1119929567285727
Energy: 2.1826602087682607
Energy: 2.3210582220788782
Energy: 2.3833900704720934
Energy: 2.3210582220799343
Energy: 2.4304529713241134
Energy: 2.3820540068948817
Energy: 2.3833900704699817
Energy: 2.312276115576174
Energy: 2.1679243586125665
Energy: 2.3793937989394784
Energy: 2.167924358612039
Energy: 2.379461392945835
Energy: 2.167924358611511
Energy: 2.3793937989384224
Energy: 2.1679243586130945
Energy: 2.1637226203194424
Energy: 2.1356585044576266
Energy: 2.163722620318386
Energy: 2.1356585044560426
Energy: 2.163722620317858
Energy: 2.1356585044576266
Energy: 2.1637226203199695
Energy: 2.2010400898316336
Energy: 2.2382210349904503
Energy: 2.201040089833745
Energy: 2.2382210349909784
Energy: 2.2010400898332176
Energy: 2.238221034991507
Energy: 2.2010400898316336
Energy: 2.429232466425224
Energy: 2.409426456193734
Energy: 2.4802705718090547
Energy: 2.408979973812222
Energy: 2.3647380159055493
Energy: 2.409426456191622
Energy: 2.3647903658787044
Energy: 2.2815774317994406
Energy: 2.4851964431411795
Energy: 2.2921426259583666
Energy: 2.4851112088688114
Energy: 2.2815774317978565
Energy: 2.485196443143819
Energy: 2.292142625957839
Energy: 2.133670934375118
Energy: 2.2748366138260616
Energy: 2.1336723932799746
Energy: 2.274835219500914
Energy: 2.133670934375118
Energy: 2.2748366138255336
Energy: 2.1336723932826143
Energy: 2.342759645294116
Energy: 2.298264480037288
Energy: 2.3427665697699744
Energy: 2.2985679339157388
Energy: 2.342759645296228
Energy: 2.2982644800393994
Energy: 2.342766569771031
Energy: 2.307249725647474
Energy: 2.2979496900051193
Energy: 2.307249725648002
Energy: 2.2979496900051193
Energy: 2.3652461601709813
Energy: 2.2979496900061753
Energy: 2.366219634684625
Energy: 2.173061285789539
Energy: 2.387519533984577
Energy: 2.1730612857905944
Energy: 2.3876701650099834
Energy: 2.173061285792179
Energy: 2.3875195339840496
Energy: 2.173061285790067
Energy: 2.13520416016143
Energy: 2.168506222614937
Energy: 2.1352041601630143
Energy: 2.1685062226154646
Energy: 2.135204160165126
Energy: 2.168506222613881
Energy: 2.135204160165126
Energy: 2.3251089661206614
Energy: 2.2886459636735625
Energy: 2.3251089661206614
Energy: 2.2886459636735625
Energy: 2.325108966122773
Energy: 2.2886459636751466
Energy: 2.3251089661217175
Energy: 2.300833420725371
Energy: 2.3112163622159785
Energy: 2.426477366018246
Energy: 2.3112163622143944
Energy: 2.4264722784274646
Energy: 2.3112163622143944
Energy: 2.4535937622738166
Energy: 2.1396886705391904
Energy: 2.3430582732899325
Energy: 2.13952674957669
Energy: 2.3430784653006014
Energy: 2.139688670540774
Energy: 2.3430582732915166
Energy: 2.139526749573522
Energy: 2.1214129697034276
Energy: 2.1793435422379153
Energy: 2.1214387642866552
Energy: 2.1793451424358388
Energy: 2.1214129697023716
Energy: 2.1793435422379153
Energy: 2.121438764288767
Energy: 2.3473027573007035
Energy: 2.3481321936393855
Energy: 2.347302757302815
Energy: 2.3481321936388575
Energy: 2.347302757304399
Energy: 2.3481321936383295
Energy: 2.347302757302815
Energy: 2.2518450038813973
Energy: 2.376921719096871
Energy: 2.224011415737525
Energy: 2.3655467258616594
Energy: 2.2235129049231364
Energy: 2.3769217190973992
Energy: 2.224011415736997
Energy: 2.0961216394516233
Energy: 2.180620911474334
Energy: 2.096121639452151
Energy: 2.180620911474862
Energy: 2.096121639453735
Energy: 2.18062091147539
Energy: 2.0961216394516233

minimum gb energy = 2.092790175600277 eV
minimum distance =  2.45611016686809 Angstroms
sigma value = 39


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

Energy: 2.1869639491051958
Energy: 2.2520637903573264
Energy: 2.1869639491083115
Energy: 2.2520637903579495
Energy: 2.186963949104573
Energy: 2.2520637903573264
Energy: 2.1869639491083115
Energy: 2.1511014420031205
Energy: 1.977766266434267
Energy: 2.15110144200499
Energy: 1.977766266433021
Energy: 2.151101442001251
Energy: 1.9777662664311515
Energy: 2.151101442001251
Energy: 2.360679530432384
Energy: 2.067182980105459
Energy: 2.3606795304367454
Energy: 2.0671829801048354
Energy: 2.360679530434253
Energy: 2.0671829801042123
Energy: 2.360679530432384
Energy: 2.365229887151622
Energy: 1.98247109964021
Energy: 2.3652298871509996
Energy: 1.98247109964021
Energy: 2.3652298871522452
Energy: 1.9824710996389636
Energy: 2.3652298871509996
Energy: 2.184962231287668
Energy: 1.978662679937533
Energy: 2.1849622312920296
Energy: 1.978662679938156
Energy: 2.184962231287668
Energy: 1.978662679938156
Energy: 2.184962231288914
Energy: 2.2015634645163633
Energy: 2.052422963444193
Energy: 2.201563464514494
Energy: 2.0524229634454394
Energy: 2.2015634645169864
Energy: 2.052422963446686
Energy: 2.2015634645163633
Energy: 2.2983885791865992
Energy: 2.040183741541307
Energy: 2.2879660853716106
Energy: 2.0401837415406834
Energy: 2.301092597637317
Energy: 2.040183741545045
Energy: 2.203814300948106
Energy: 2.276830159623026
Energy: 2.0755268402882026
Energy: 2.2768301596236493
Energy: 2.0755268402888256
Energy: 2.2768301596224028
Energy: 2.07552684028571
Energy: 2.2768301596199105
Energy: 2.259607593656432
Energy: 2.0731651835330855
Energy: 2.259607593655809
Energy: 2.0731651835305933
Energy: 2.2596075936539397
Energy: 2.073165183531217
Energy: 2.259607593656432
Energy: 2.18430123164242
Energy: 2.2539619173690095
Energy: 2.1843012316436656
Energy: 2.253961917367763
Energy: 2.184301231644289
Energy: 2.2539619173702556
Energy: 2.1843012316411734
Energy: 2.1530875902138553
Energy: 2.1349317821481923
Energy: 2.1998941373741427
Energy: 2.1349317821481923
Energy: 2.3069744041192513
Energy: 2.1349317821469462
Energy: 2.306974404120498
Energy: 2.1668068085233565
Energy: 1.9777832578201564
Energy: 2.1668068085227334
Energy: 1.977783257825141
Energy: 2.1668068085252257
Energy: 1.9777832578270105
Energy: 2.1668068085214873
Energy: 2.2382733558133805
Energy: 2.0023720025403557
Energy: 2.2382733558096417
Energy: 2.0023720025403557
Energy: 2.2382733558376815
Energy: 2.0023720025378635
Energy: 2.2382733558426664
Energy: 2.1537639317271218
Energy: 1.9783726631216965
Energy: 2.1537639317265556
Energy: 1.9783726631223193
Energy: 2.153763931727745
Energy: 1.9783726631235659
Energy: 2.1537639317265556
Energy: 2.1896358432261676
Energy: 2.1524110835358083
Energy: 2.189635843233021
Energy: 2.1524110835358083
Energy: 2.2464518434837175
Energy: 2.1524110835333166
Energy: 2.15683148632547
Energy: 2.1536544335689065
Energy: 2.0404718715979953
Energy: 2.1536544335695296
Energy: 2.040471871599242
Energy: 2.1536544335695296
Energy: 2.040471871601734
Energy: 2.1536544335695296
Energy: 2.287857215661403
Energy: 2.0752307334798767
Energy: 2.287857215663273
Energy: 2.0752307334780076
Energy: 2.2878572156582875
Energy: 2.0752307334748923
Energy: 2.2878572156589105
Energy: 2.173064514611164
Energy: 2.0751703694545993
Energy: 2.1730645146105414
Energy: 2.0751703694545993
Energy: 2.1730645146080487
Energy: 2.0751703694558454
Energy: 2.173064514606179
Energy: 2.1913366802226037
Energy: 2.106142748404316
Energy: 2.191336680221357
Energy: 2.1061427484074313
Energy: 2.191336680220734
Energy: 2.1061427484061856
Energy: 2.1913366802226037
Energy: 2.1842951070680745
Energy: 2.2503110418488057
Energy: 2.184295107066828
Energy: 2.2503110418451233
Energy: 2.184295107066828
Energy: 2.2503110418481826
Energy: 2.184295107064959
Energy: 2.2969942241357115
Energy: 1.9785938643497483
Energy: 2.2969942241338424
Energy: 1.978593864348502
Energy: 2.2969942241363346
Energy: 1.9785938643509944
Energy: 2.2969942241375807
Energy: 2.2770986526264974
Energy: 1.9810912359251667
Energy: 2.277098652628366
Energy: 1.981091235927659
Energy: 2.277098652625251
Energy: 1.981091235927659
Energy: 2.277098652628366
Energy: 2.32470505660521
Energy: 1.9813233313286425
Energy: 2.324705056601471
Energy: 1.9813233313267735
Energy: 2.324705056602717
Energy: 1.9813233313292657
Energy: 2.3247050565996017
Energy: 2.150765055114484
Energy: 1.9798828559928192
Energy: 2.150765055114484
Energy: 1.979882855991573
Energy: 2.1507650551175996
Energy: 1.979882855990327
Energy: 2.150765055116353
Energy: 2.2226027611184627
Energy: 2.0399271978590767
Energy: 2.2226027611165935
Energy: 2.0399271978597
Energy: 2.2226027611153474
Energy: 2.0399271978590767
Energy: 2.2226027611184627
Energy: 2.152374051035738
Energy: 2.0916807646808175
Energy: 2.152374051036984
Energy: 2.0916807646808175
Energy: 2.1523740510388536
Energy: 2.0916807646826867
Energy: 2.152374051036984
Energy: 2.3064435035312174
Energy: 2.166820875864755
Energy: 2.306443503532464
Energy: 2.166820875864132
Energy: 2.306443503532464
Energy: 2.166820875863509
Energy: 2.30644350353371
Energy: 2.15099384243832
Energy: 2.0729330978064096
Energy: 2.1509938424364514
Energy: 2.072933097811394
Energy: 2.150993842437697
Energy: 2.0729330978095244
Energy: 2.1509938424358284
Energy: 2.1869639491070654
Energy: 2.2520637903554572
Energy: 2.1869639491108037
Energy: 2.2520637903579495
Energy: 2.186963949107688
Energy: 2.2520637903579495
Energy: 2.1869639491108037
Energy: 2.1511014420031205
Energy: 1.977766266433021
Energy: 2.15110144200499
Energy: 1.9777662664323974
Energy: 2.151101442001251
Energy: 1.9777662664317743
Energy: 2.1511014420018744

minimum gb energy = 1.9777662664311515 eV
minimum distance =  2.46752136412618 Angstroms
sigma value = 21


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

Energy: 2.075346802924005
Energy: 2.140811318607093
Energy: 2.075346802923249
Energy: 2.14081131860558
Energy: 2.075346802924005
Energy: 2.1408113186063367
Energy: 2.075346802923249
Energy: 2.010403202391066
Energy: 1.9597065530647375
Energy: 2.010403202392579
Energy: 1.9597065530647375
Energy: 2.010403202391066
Energy: 1.9597065530647375
Energy: 2.010403202391822
Energy: 2.0500227124496972
Energy: 2.042836400730952
Energy: 2.0500227124496972
Energy: 2.042836400730196
Energy: 2.050022712448941
Energy: 2.042836400730952
Energy: 2.0500227124496972
Energy: 1.9062503655667216
Energy: 1.9686105896646768
Energy: 1.9062503655674778
Energy: 1.9686105896654331
Energy: 1.9062503655667216
Energy: 1.9686105896639206
Energy: 1.9062503655667216
Energy: 1.8858418520020286
Energy: 1.9812746123300267
Energy: 1.8858418520020286
Energy: 1.9812746123285139
Energy: 1.8858418520020286
Energy: 1.9812746123292704
Energy: 1.8858418520020286
Energy: 1.9210549380490862
Energy: 1.9781739195408383
Energy: 1.92105493804833
Energy: 1.9781739195408383
Energy: 1.9210549380490862
Energy: 1.9781739195408383
Energy: 1.9210549380490862
Energy: 1.831682923874433
Energy: 2.036972324105159
Energy: 1.8316829238759456
Energy: 2.0369723241044024
Energy: 1.831682923874433
Energy: 2.036972324105159
Energy: 1.8316829238759456
Energy: 1.9143614305652237
Energy: 1.9596594777246017
Energy: 1.9143614305667365
Energy: 1.9596594777246017
Energy: 1.9143614305652237
Energy: 1.9596594777246017
Energy: 1.9143614305667365
Energy: 1.9796827420255134
Energy: 1.880473778726777
Energy: 1.9796827420270264
Energy: 1.880473778726777
Energy: 1.9796827420255134
Energy: 1.880473778726777
Energy: 1.9796827420270264
Energy: 1.9237118731255585
Energy: 2.215546548494167
Energy: 1.923711873127071
Energy: 2.215546548492655
Energy: 1.9237118731263145
Energy: 2.215546548494167
Energy: 1.923711873127071
Energy: 1.8304873792203575
Energy: 2.0568174159403343
Energy: 1.8304873792203575
Energy: 2.0568174159403343
Energy: 1.8304873792203575
Energy: 2.0568174159395785
Energy: 1.8304873792203575
Energy: 1.886528895378562
Energy: 2.0647841522998145
Energy: 1.8865288953800745
Energy: 2.064784152299058
Energy: 1.886528895378562
Energy: 2.0647841522998145
Energy: 1.8865288953808312
Energy: 1.9596275615783914
Energy: 1.9212476180591267
Energy: 1.9596275615791479
Energy: 1.921247618059883
Energy: 1.9596275615783914
Energy: 1.9212476180591267
Energy: 1.9596275615791479
Energy: 2.0432599641223317
Energy: 2.2385859264693537
Energy: 2.0432599641238447
Energy: 2.2385859264708663
Energy: 2.0432599641223317
Energy: 2.2385859264701096
Energy: 2.0432599641238447
Energy: 1.9929221991321824
Energy: 2.0204580511459893
Energy: 1.9929221991329387
Energy: 2.0204580511444767
Energy: 1.9929221991329387
Energy: 2.0204580511459893
Energy: 1.9929221991329387
Energy: 2.0556774626189522
Energy: 2.0861482930264574
Energy: 2.055677462619709
Energy: 2.0861482930272133
Energy: 2.0556774626189522
Energy: 2.0861482930264574
Energy: 2.055677462619709
Energy: 2.0543150742227874
Energy: 1.9670355600750717
Energy: 2.054315074224301
Energy: 1.9670355600743155
Energy: 2.0543150742235436
Energy: 1.9670355600758282
Energy: 2.054315074224301
Energy: 2.0613069602417893
Energy: 2.2379674156443867
Energy: 2.061306960244815
Energy: 2.2379674156458993
Energy: 2.0613069602417893
Energy: 2.237967415645143
Energy: 2.061306960243302
Energy: 1.9418676562849853
Energy: 1.9542590438493046
Energy: 1.9418676562834722
Energy: 1.954259043848548
Energy: 1.9418676562849853
Energy: 1.9542590438493046
Energy: 1.9418676562834722
Energy: 1.8849148590242375
Energy: 1.9815192232491137
Energy: 1.884914859023481
Energy: 1.9815192232498704
Energy: 1.8849148590242375
Energy: 1.9815192232483574
Energy: 1.884914859023481
Energy: 1.933644959606983
Energy: 2.060923401973657
Energy: 1.9336449596077394
Energy: 2.060923401972144
Energy: 1.933644959606983
Energy: 2.060923401973657
Energy: 1.9336449596077394
Energy: 1.8289373848407613
Energy: 2.0072473622442057
Energy: 1.8289373848407613
Energy: 2.00724736224118
Energy: 1.8289373848407613
Energy: 2.00724736224118
Energy: 1.8289373848407613
Energy: 1.982815218612628
Energy: 1.9543165941124105
Energy: 2.0332675363834394
Energy: 1.9543165941101412
Energy: 1.9757587301189177
Energy: 1.9543165941124105
Energy: 1.9757587301196742
Energy: 1.977335126185129
Energy: 1.935152685272389
Energy: 1.9773351261843728
Energy: 1.935152685272389
Energy: 1.977335126185129
Energy: 1.935152685272389
Energy: 1.9773351261843728
Energy: 1.9303609039936183
Energy: 2.0284015515890124
Energy: 1.9303609039921057
Energy: 2.0284015515905254
Energy: 1.9303609039936183
Energy: 2.0284015515890124
Energy: 1.9303609039921057

minimum gb energy = 1.8289373848407613 eV
minimum distance =  2.48606351581097 Angstroms
sigma value = 113


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

Energy: 1.8057652965615782
Energy: 1.9137985445187355
Energy: 1.8057652965624225
Energy: 1.913798544516663
Energy: 1.8057652965615782
Energy: 1.913798544506992
Energy: 1.8057652965624225
Energy: 1.7673089555126285
Energy: 1.8458734300712085
Energy: 1.7673089555126285
Energy: 1.8458734300737414
Energy: 1.7673089555092512
Energy: 1.8458734300741249
Energy: 1.7673089555079462
Energy: 1.8171927734463964
Energy: 1.7574035439221185
Energy: 1.8171927734506181
Energy: 1.7574035439191251
Energy: 1.8171927734552233
Energy: 1.757403543913215
Energy: 1.8171927734594449
Energy: 1.8411194371755464
Energy: 1.8450281811210436
Energy: 1.841119437178079
Energy: 1.8450281811172824
Energy: 1.8411194371738575
Energy: 1.8450281811181268
Energy: 1.841119437183529
Energy: 1.731019139849155
Energy: 1.817996597365535
Energy: 1.7310191398542212
Energy: 1.8179965973621577
Energy: 1.7310191398542212
Energy: 1.8179965973663792
Energy: 1.7310191398512271
Energy: 1.7236762299122717
Energy: 1.6866810337387288
Energy: 1.7236762299164932
Energy: 1.6866810337437947
Energy: 1.723676229917721
Energy: 1.6866810337399571
Energy: 1.723676229917721
Energy: 1.7136188608806087
Energy: 1.839317399361083
Energy: 1.7136188608844465
Energy: 1.8393173993699101
Energy: 1.7136188608763872
Energy: 1.8393173993678376
Energy: 1.713618860880225
Energy: 1.6956626393193694
Energy: 1.702852579659993
Energy: 1.6956626393205974
Energy: 1.702852579659993
Energy: 1.6956626393227467
Energy: 1.7028525796557714
Energy: 1.695662639321442
Energy: 1.766885778212087
Energy: 1.6769622234521238
Energy: 1.7668857782129315
Energy: 1.6769622234559616
Energy: 1.7668857782048721
Energy: 1.6769622234571897
Energy: 1.7668857782116267
Energy: 1.7806873963413634
Energy: 1.6694571966907323
Energy: 1.780687396345585
Energy: 1.6694571966827496
Energy: 1.780687396343896
Energy: 1.6694571966865106
Energy: 1.7806873963359133
Energy: 1.658524841857998
Energy: 1.6094912753371757
Energy: 1.6585248418474825
Energy: 1.6094912753304211
Energy: 1.6585248418517042
Energy: 1.6094912753308048
Energy: 1.658524841857998
Energy: 1.7072153766803808
Energy: 1.7389550460662817
Energy: 1.7072153766812255
Energy: 1.738955046070043
Energy: 1.70721537668798
Energy: 1.7389550460658214
Energy: 1.7072153766837583
Energy: 1.5970707007759541
Energy: 1.8821139419234905
Energy: 1.5970707007781035
Energy: 1.8821139419247186
Energy: 1.5970707007767986
Energy: 1.8821139419230302
Energy: 1.5970707007840137
Energy: 1.719538835111703
Energy: 1.711301039460543
Energy: 1.7195388351074814
Energy: 1.7113010394639203
Energy: 1.7195388351159244
Energy: 1.7113010394643042
Energy: 1.719538835115464
Energy: 1.7161378981067779
Energy: 1.601827384391957
Energy: 1.7161378981156816
Energy: 1.6018273843890403
Energy: 1.7161378981126885
Energy: 1.6018273843911128
Energy: 1.7161378981148374
Energy: 1.7118577374996562
Energy: 1.9850009349972881
Energy: 1.7118577375017288
Energy: 1.9850009350015096
Energy: 1.7118577375030335
Energy: 1.9850009349859283
Energy: 1.711857737503417
Energy: 1.6482011434136434
Energy: 1.6546289165767543
Energy: 1.6482011434174044
Energy: 1.6546289165835089
Energy: 1.6482011434127994
Energy: 1.654628916576294
Energy: 1.6482011434144876
Energy: 1.7075442313262361
Energy: 1.7398885053117596
Energy: 1.7075442313304576
Energy: 1.7398885053117596
Energy: 1.7075442313241636
Energy: 1.7398885053130642
Energy: 1.7075442313262361
Energy: 1.6899931377647388
Energy: 1.6882210942230076
Energy: 1.6899931377677324
Energy: 1.6882210942209357
Energy: 1.6899931377647388
Energy: 1.6882210942196305
Energy: 1.6899931377685768
Energy: 1.7180138280177202
Energy: 1.8704397968732747
Energy: 1.7180138280147268
Energy: 1.8704397968741189
Energy: 1.718013828009277
Energy: 1.8704397968677484
Energy: 1.7180138280168757
Energy: 1.85635237361635
Energy: 1.6955343266009897
Energy: 1.8563523736142775
Energy: 1.695534326609433
Energy: 1.8563523736184993
Energy: 1.6955343266082046
Energy: 1.8563523736210323
Energy: 1.7742777888267014
Energy: 1.741135507706461
Energy: 1.7742777888275456
Energy: 1.7411355077056168
Energy: 1.7742777888250127
Energy: 1.7411355077056168
Energy: 1.7742777888199468
Energy: 1.7603607217827466
Energy: 1.7133533957128917
Energy: 1.7603607217810577
Energy: 1.713353395717574
Energy: 1.760360721775608
Energy: 1.7133533957191858
Energy: 1.7603607217764525
Energy: 1.7238914590262413
Energy: 1.9311768418712598
Energy: 1.7238914590241692
Energy: 1.931176841872488
Energy: 1.7238914590233247
Energy: 1.931176841881315
Energy: 1.7238914590237084
Energy: 1.8625956573821996
Energy: 1.793465609668341
Energy: 1.862595657384272
Energy: 1.7934656096645032
Energy: 1.8625956573881097
Energy: 1.7934656096691852
Energy: 1.8625956573893376
Energy: 1.8192590378406828
Energy: 1.7643723479951148
Energy: 1.819259037848742
Energy: 1.7643723479972642
Energy: 1.8192590378478977
Energy: 1.7643723479905096
Energy: 1.8192590378394546
Energy: 1.7973391188610786
Energy: 1.937204522831724
Energy: 1.797339118856473
Energy: 1.9372045228275792
Energy: 1.797339118861923
Energy: 1.9372045228233579
Energy: 1.7973391188581618
Energy: 1.7466948434668688
Energy: 2.017206961100301
Energy: 1.746694843465564
Energy: 2.0172069610947747
Energy: 1.7466948434660245
Energy: 2.017206961101145
Energy: 1.7466948434638752
Energy: 1.9157661297331976
Energy: 1.8489907794219527
Energy: 1.9157661297357307
Energy: 1.84899077941988
Energy: 1.9157661297429456
Energy: 1.848990779415198
Energy: 1.9157661297374193
Energy: 1.772074508356723
Energy: 1.7286319653820998
Energy: 1.7720745083558787
Energy: 1.7286319653884707
Energy: 1.7720745083511964
Energy: 1.7286319653787225
Energy: 1.7720745083562623
Energy: 1.709279193901451
Energy: 1.9567642751292857
Energy: 1.7092791938972296
Energy: 1.9567642751372685
Energy: 1.709279193901451
Energy: 1.956764275134352
Energy: 1.709279193898918
Energy: 1.6931167084435024
Energy: 1.9274358512093206
Energy: 1.6931167084396648
Energy: 1.927435851212237
Energy: 1.6931167084426582
Energy: 1.9274358512080154
Energy: 1.6931167084409693
Energy: 1.9580621533068239
Energy: 1.6832185597684712
Energy: 1.958062153305135
Energy: 1.6832185597748421
Energy: 1.958062153303907
Energy: 1.6832185597697764
Energy: 1.9580621532992248
Energy: 1.7244550195527326
Energy: 1.813037141746193
Energy: 1.7244550195485109
Energy: 1.8130371417402829
Energy: 1.724455019546362
Energy: 1.8130371417491864
Energy: 1.7244550195518882
Energy: 1.6922924441474667
Energy: 1.8974326228885927
Energy: 1.692292444143629
Energy: 1.8974326228877483
Energy: 1.692292444149923
Energy: 1.8974326228902814
Energy: 1.6922924441486948
Energy: 1.7072637895700882
Energy: 1.8088400516024334
Energy: 1.7072637895756144
Energy: 1.8088400516125651
Energy: 1.7072637895759983
Energy: 1.808840051616787
Energy: 1.707263789572621
Energy: 1.8378479497923064
Energy: 1.648259803173451
Energy: 1.8378479497800253
Energy: 1.6482598031802054
Energy: 1.8378479497791809
Energy: 1.6482598031679243
Energy: 1.8378479497872404
Energy: 1.6589378470393097
Energy: 1.6103971510056687
Energy: 1.6589378470350884
Energy: 1.6103971509985304
Energy: 1.6589378470406146
Energy: 1.6103971510006028
Energy: 1.6589378470355485
Energy: 1.692996869239921
Energy: 1.6923150007021655
Energy: 1.6929968692432982
Energy: 1.692315000700937
Energy: 1.6929968692428379
Energy: 1.6923150006970993
Energy: 1.69299686924161
Energy: 1.5972550676218475
Energy: 1.871700135733209
Energy: 1.59725506761801
Energy: 1.8717001357268381
Energy: 1.5972550676167816
Energy: 1.8717001357323648
Energy: 1.5972550676210033
Energy: 1.6643046329411042
Energy: 1.6977327930968542
Energy: 1.664304632942332
Energy: 1.697732793090944
Energy: 1.6643046329457096
Energy: 1.697732793089639
Energy: 1.6643046329444817
Energy: 1.7063952434456628
Energy: 1.6113849402066893
Energy: 1.7063952434439742
Energy: 1.6113849402053846
Energy: 1.7063952434439742
Energy: 1.6113849402100668
Energy: 1.7063952434410576
Energy: 1.739458583138807
Energy: 1.8682179583939442
Energy: 1.739458583136658
Energy: 1.8682179583935605
Energy: 1.7394585831371183
Energy: 1.8682179583990102
Energy: 1.7394585831295195
Energy: 1.6518390056175003
Energy: 1.6906138651122438
Energy: 1.6518390056149672
Energy: 1.6906138651076386
Energy: 1.6518390056212613
Energy: 1.6906138651076386
Energy: 1.6518390056166559
Energy: 1.7018167328170848
Energy: 1.7412866170230645
Energy: 1.7018167328137843
Energy: 1.7412866170166936
Energy: 1.7018167328150122
Energy: 1.7412866170171541
Energy: 1.7018167328162408

minimum gb energy = 1.5970707007759541 eV
minimum distance =  2.41882474898261 Angstroms
sigma value = 365


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

Energy: 0.6555182994609954
Energy: 0.6876631941260903
Energy: 0.6555182994600435
Energy: 0.6876631941260903
Energy: 0.6555182994609954
Energy: 0.6876631941260903
Energy: 0.6555182994600435
Energy: 3.628475047648355
Energy: 2.0692721536310184
Energy: 3.6285197798596007
Energy: 2.0692721536329217
Energy: 3.4900063899123697
Energy: 2.0692721536310184
Energy: 3.4900064161763025
Energy: 0.6555182994638508
Energy: 0.6876631941260903
Energy: 0.6555182994638508
Energy: 0.6876631941270422
Energy: 0.6555182994638508
Energy: 0.6876631941251387
Energy: 0.6555182994638508
Energy: 4.0343292214473445
Energy: 2.0692721536310184
Energy: 4.03432922225889
Energy: 2.0692721536310184
Energy: 3.62847833271917
Energy: 2.0692721536310184
Energy: 3.4900063891503184
Energy: 0.6555182994609954
Energy: 0.6876631941270422
Energy: 0.6555182994600435
Energy: 0.6876631941251387
Energy: 0.6555182994609954
Energy: 0.6876631941270422
Energy: 0.6555182994600435
Energy: 3.6284706640763225
Energy: 2.0692721536329217
Energy: 3.628468877073771
Energy: 2.06927215363197
Energy: 3.4900063893092272
Energy: 2.0692721536329217
Energy: 3.4900063893691473
Energy: 0.6555182994638508
Energy: 0.6876631941270422
Energy: 0.655518299462899
Energy: 0.6876631941260903
Energy: 0.6555182994638508
Energy: 0.6876631941270422
Energy: 0.655518299462899
Energy: 3.6234999696342163
Energy: 2.06927215363197
Energy: 3.6284693794815666
Energy: 2.0692721536329217
Energy: 3.4900064095632373
Energy: 2.0692721536310184
Energy: 3.490006402713259
Energy: 0.6555182994609954
Energy: 0.6876631941251387
Energy: 0.6555182994609954
Energy: 0.6876631941260903
Energy: 0.6555182994609954
Energy: 0.6876631941251387
Energy: 0.6555182994609954
Energy: 3.6234998492384762
Energy: 2.06927215363197
Energy: 3.6234998747175156
Energy: 2.0692721536310184
Energy: 3.6284856414600815
Energy: 2.06927215363197
Energy: 3.490006427286567
Energy: 0.6555182994638508
Energy: 0.6876631941270422
Energy: 0.6555182994638508
Energy: 0.6876631941260903
Energy: 0.6555182994638508
Energy: 0.6876631941270422
Energy: 0.6555182994638508
Energy: 3.490006452252756
Energy: 2.069272153633874
Energy: 3.490006389373906
Energy: 2.06927215363197
Energy: 3.4900063983216665
Energy: 2.069272153633874
Energy: 3.4900064185271784
Energy: 0.6555182994609954
Energy: 0.6876631941260903
Energy: 0.6555182994600435
Energy: 0.6876631941260903
Energy: 0.6555182994609954
Energy: 0.6876631941260903
Energy: 0.6555182994600435
Energy: 3.4900063913337624
Energy: 2.06927215363197
Energy: 3.490006399422431
Energy: 2.0692721536348255
Energy: 3.4900063894395377
Energy: 2.0692721536329217
Energy: 3.490006391093994
Energy: 0.6555182994638508
Energy: 0.6876631941260903
Energy: 0.6555182994638508
Energy: 0.6876631941270422
Energy: 0.6555182994638508
Energy: 0.6876631941260903
Energy: 0.6555182994638508
Energy: 3.490006422816018
Energy: 2.06927215363197
Energy: 3.490006453346857
Energy: 2.06927215363197
Energy: 3.490006439453813
Energy: 2.06927215363197
Energy: 3.4900064550897882
Energy: 0.6555182994609954
Energy: 0.6876631941270422
Energy: 0.6555182994600435
Energy: 0.6876631941251387
Energy: 0.6555182994609954
Energy: 0.6876631941270422
Energy: 0.6555182994600435
Energy: 3.4900064767699512
Energy: 2.069272153633874
Energy: 3.490006421362264
Energy: 2.0692721536329217
Energy: 3.490006436281875
Energy: 2.069272153633874
Energy: 3.4900064057634093
Energy: 0.6555182994638508
Energy: 0.6876631941260903
Energy: 0.655518299462899
Energy: 0.6876631941260903
Energy: 0.6555182994638508
Energy: 0.6876631941260903
Energy: 0.655518299462899
Energy: 3.490006581840784
Energy: 2.06927215363197
Energy: 3.490006547707963
Energy: 2.0692721536329217
Energy: 3.4900066730632644
Energy: 2.06927215363197
Energy: 3.49000646643887

minimum gb energy = 0.6555182994600435 eV
minimum distance =  2.44058455341876 Angstroms
sigma value = 23