Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098572611809
cohesive_energy=4.242432836338272
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.016431904644868198
Energy: 0.017118815452328597
Energy: 0.01678886294859228
Energy: 0.01711881545170002
Energy: 0.01711881545170002
Energy: 1.2139690019288552
Energy: 0.01711881545170002
Energy: 1.2139690019288552
Energy: 0.01678886294859228
Energy: 0.01711881545170002
Energy: 0.016431904644868198
Energy: 0.01711881545170002
Energy: 0.01711881545170002
Energy: 1.2139690019288552
Energy: 0.01711881545170002
Energy: 1.2139690019288552

minimum gb energy = 0.016431904644868198 eV
minimum distance =  2.48817325426063 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.9934753637869556
Energy: 1.098095660822084
Energy: 0.8535500490773432
Energy: 1.0980956608213217
Energy: 0.956502755676162
Energy: 1.0882629163759008
Energy: 0.9578611911230958
Energy: 1.0882629163751385
Energy: 0.9362738136122021
Energy: 1.085632748281774
Energy: 0.9478802308738038
Energy: 1.0856327482825365
Energy: 0.9380246706875903
Energy: 1.1076168288986008
Energy: 0.9497334127013897
Energy: 1.1076168288978383
Energy: 0.9423895433764116
Energy: 1.101204771331981
Energy: 0.9484531671252059
Energy: 1.101204771331981
Energy: 0.8958339512389342
Energy: 1.2928231748480543
Energy: 0.9274689151090724
Energy: 1.2928231748472923
Energy: 0.9601136225154736
Energy: 1.0868967918127805
Energy: 0.8970174218780038
Energy: 1.0868967918120183
Energy: 0.8175006280069195
Energy: 1.0997838327831657
Energy: 0.917137665603875
Energy: 1.0997838327824034
Energy: 0.9481246451546745
Energy: 0.9538154842163686
Energy: 0.9542100303902707
Energy: 0.9538154842163686
Energy: 0.9299428953665769
Energy: 1.0859530072414971
Energy: 0.8024257777624293
Energy: 1.0859530072414971
Energy: 0.952702585319344
Energy: 1.0454704397007435
Energy: 0.9480922431024933
Energy: 1.0454704397037928
Energy: 0.900598309699041
Energy: 1.0996088350537763
Energy: 0.9479504226581104
Energy: 1.0996088350537763
Energy: 0.9565592805833899
Energy: 1.0884355846340101
Energy: 0.9600964701026512
Energy: 1.0884355846340101
Energy: 0.9588520679394597
Energy: 1.092969735768523
Energy: 0.9434698160615376
Energy: 1.0929697357692856
Energy: 0.9524755732396754
Energy: 1.1026186337035244
Energy: 0.9496666178287339
Energy: 1.1026186337027624
Energy: 0.9414789724261038
Energy: 1.0981031028128219
Energy: 0.948851728646851
Energy: 1.0981031028120596
Energy: 0.9480689446069058
Energy: 1.085612993873574
Energy: 0.8750371531480636
Energy: 1.0856129938728114
Energy: 0.9585062878175243
Energy: 1.0853792434521667
Energy: 0.9578291330991408
Energy: 1.0853792434521667
Energy: 0.8210408513821713
Energy: 1.099381524309829
Energy: 0.9542676500312359
Energy: 1.0993815243105913
Energy: 0.9623891283473277
Energy: 0.9534111137887754
Energy: 0.9494239927362269
Energy: 0.9534111137903
Energy: 0.9282999409782645
Energy: 1.0854597552954375
Energy: 0.8708845068752914
Energy: 1.085459755294675
Energy: 0.9486104941678036
Energy: 1.3036758114055467
Energy: 0.9409951087565804
Energy: 1.3036758114070712
Energy: 0.9490874993150817
Energy: 1.1011691192025037
Energy: 0.8803568240923517
Energy: 1.1011691192025037
Energy: 0.9356562038020313
Energy: 1.0882107401691457
Energy: 0.8958008873044392
Energy: 1.0882107401691457
Energy: 0.8968972066213479
Energy: 1.2968346187825197
Energy: 0.959645026662476
Energy: 1.2968346187825197
Energy: 0.9439588850594158
Energy: 1.099594122426623
Energy: 0.8811393121281083
Energy: 1.0995941224273853
Energy: 0.951574794542488
Energy: 1.0893774959193696
Energy: 0.9484700723171506
Energy: 1.0893774959193696
Energy: 0.8706957689947198
Energy: 1.0846671160525425
Energy: 0.9485867199899041
Energy: 1.0846671160525425
Energy: 0.9555512438212087
Energy: 1.0949946645996742
Energy: 0.9522757258999643
Energy: 1.0949946645996742
Energy: 0.9636792163367669
Energy: 1.0989771329779636
Energy: 0.9009320249256477
Energy: 1.0989771329779636
Energy: 0.9619377387857587
Energy: 1.0915554648599741
Energy: 0.9567366169342876
Energy: 1.091555464861499
Energy: 0.9423541402831098
Energy: 1.087094096991192
Energy: 0.9506768057446098
Energy: 1.087094096991192
Energy: 0.9415090512594363
Energy: 1.106592275051442
Energy: 0.9516000640429472
Energy: 1.106592275051442

minimum gb energy = 0.8024257777624293 eV
minimum distance =  2.27866443060623 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.0651749563504023
Energy: 1.1845188441560643
Energy: 0.9121038121425854
Energy: 1.1845188441569336
Energy: 1.0102799219476235
Energy: 1.1218103028190354
Energy: 1.0119104435486832
Energy: 1.121810302816428
Energy: 0.9286521096500688
Energy: 1.184117848097825
Energy: 1.0214131089834009
Energy: 1.1841178480969559
Energy: 1.004599743825521
Energy: 1.10614756357115
Energy: 0.9558285945599828
Energy: 1.1061475635737574
Energy: 1.0046116087630799
Energy: 1.1669146572168898
Energy: 1.0091702479894713
Energy: 1.1669146572194973
Energy: 0.9899490344356978
Energy: 1.16610698397119
Energy: 0.9747141503838068
Energy: 1.1661069839703209
Energy: 1.009909935866976
Energy: 1.1057715341507866
Energy: 1.0165389209362112
Energy: 1.1057715341507866
Energy: 0.8543457267890122
Energy: 1.1838349539359545
Energy: 0.9302081870724404
Energy: 1.1838349539350852
Energy: 1.0051406435344918
Energy: 1.0261228110879634
Energy: 1.015675280659429
Energy: 1.0261228110870941
Energy: 1.011980520363358
Energy: 1.1839848389640952
Energy: 0.9131244630013314
Energy: 1.1839848389658336
Energy: 1.009670604584732
Energy: 1.106363578932174
Energy: 1.0245114914326847
Energy: 1.106363578933043
Energy: 0.9310344492254997
Energy: 1.1723875777332216
Energy: 1.021900009362832
Energy: 1.1723875777306139
Energy: 1.0233613360621214
Energy: 1.162424335825876
Energy: 1.0062744719141374
Energy: 1.1624243358284834
Energy: 1.0233002738985801
Energy: 1.1624147837369387
Energy: 1.011460763134376
Energy: 1.1624147837352004
Energy: 0.9309962560006209
Energy: 1.172599924694515
Energy: 1.0218268371658203
Energy: 1.1725999246936458
Energy: 1.0096808064685123
Energy: 1.106012979531329
Energy: 1.016573058665724
Energy: 1.1060129795330675
Energy: 1.0076302501498065
Energy: 1.183764427552591
Energy: 0.8758963044882111
Energy: 1.183764427552591
Energy: 1.0051814106297983
Energy: 1.027270909207307
Energy: 1.0157264862932527
Energy: 1.027270909208176
Energy: 0.8544569102234558
Energy: 1.1842036720823872
Energy: 0.9603509483812124
Energy: 1.1842036720815179
Energy: 1.009626777949171
Energy: 1.1052141593280664
Energy: 0.9534534515142359
Energy: 1.1052141593271974
Energy: 0.9896337529137761
Energy: 1.1620940643398328
Energy: 1.0055652630488994
Energy: 1.1620940643398328
Energy: 1.0046680521371978
Energy: 1.1666211809210787
Energy: 1.0019881492089893
Energy: 1.1666211809210787
Energy: 1.0045034766187781
Energy: 1.1069876221647457
Energy: 1.0169855055509742
Energy: 1.1069876221647457
Energy: 0.9286127170667101
Energy: 1.1838406368532006
Energy: 1.0212340722516289
Energy: 1.18384063685407
Energy: 1.0100961478366854
Energy: 1.1221227760599009
Energy: 1.0121452194236422
Energy: 1.1221227760599009
Energy: 1.0651749563504023
Energy: 1.1845188441560643
Energy: 0.9433502780649933
Energy: 1.1845188441560643
Energy: 1.0102799219476235
Energy: 1.121810302817297
Energy: 1.0119104435460757
Energy: 1.1218103028190354
Energy: 0.9286521096500688
Energy: 1.184117848097825
Energy: 1.0061558920048776
Energy: 1.1841178480960868
Energy: 1.00459974382639
Energy: 1.106147563580711
Energy: 0.9456751200714902
Energy: 1.106147563580711

minimum gb energy = 0.8543457267890122 eV
minimum distance =  2.27521494920399 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.1409247757615948
Energy: 1.2591971408375116
Energy: 0.983463891677992
Energy: 1.259197140836501
Energy: 1.1018385119834837
Energy: 1.219894168945625
Energy: 1.0895284804163816
Energy: 1.2198941689466356
Energy: 1.0016421276309313
Energy: 1.2902302619941655
Energy: 1.0938024605282748
Energy: 1.2902302619941655
Energy: 1.0739934539159914
Energy: 1.245426354013724
Energy: 1.024334487877653
Energy: 1.245426354013724
Energy: 1.0240335639016571
Energy: 1.2581528602470327
Energy: 1.0155987780060811
Energy: 1.2581528602470327
Energy: 1.0805814697783642
Energy: 1.2911901323237829
Energy: 1.0997873737786503
Energy: 1.2911901323237829
Energy: 1.102863547342683
Energy: 1.0991711556774815
Energy: 1.0582822625035406
Energy: 1.0991711556774815
Energy: 1.021679105174099
Energy: 1.263330740401845
Energy: 0.9485819810973172
Energy: 1.2633307404028553
Energy: 1.058506351132087
Energy: 1.1873318577888188
Energy: 1.1026922300813402
Energy: 1.1873318577888188
Energy: 1.1005182467883095
Energy: 1.2915453249627713
Energy: 1.0072643588653982
Energy: 1.2915453249627713
Energy: 1.0857081945179312
Energy: 1.2579600642785944
Energy: 1.0906362919030168
Energy: 1.2579600642796047
Energy: 1.0302599886623105
Energy: 1.2604927183086327
Energy: 1.089291466895525
Energy: 1.2604927183086327
Energy: 1.0939163375668677
Energy: 1.2133556467832751
Energy: 1.007829354046253
Energy: 1.2133556467812543
Energy: 1.0558823456801292
Energy: 1.1016185972994876
Energy: 1.1024511332855935
Energy: 1.1016185972984773
Energy: 0.9195350873769825
Energy: 1.2588114070475414
Energy: 0.9461846059826592
Energy: 1.2588114070475414
Energy: 1.098443750697681
Energy: 1.0990718397946915
Energy: 1.0259131751523587
Energy: 1.0990718397946915
Energy: 0.916659013951304
Energy: 1.2903587470494442
Energy: 0.9166459694682936
Energy: 1.2903587470494442
Energy: 1.024227661557884
Energy: 1.2593025929174142
Energy: 1.0764662401212186
Energy: 1.2593025929174142
Energy: 1.0080581100911643
Energy: 1.2436611869819147
Energy: 1.0231357921780606
Energy: 1.2436611869819147
Energy: 1.099106586731098
Energy: 1.2907323934023018
Energy: 1.0941190009492452
Energy: 1.2907323934023018
Energy: 1.107093041948431
Energy: 1.2236931706730807
Energy: 1.0922455296647813
Energy: 1.2236931706730807
Energy: 1.1368350992369125
Energy: 1.2604374860593117
Energy: 1.0497481631085779
Energy: 1.2604374860593117
Energy: 1.098661007513001
Energy: 1.1992177282378713
Energy: 1.0899949751031324
Energy: 1.1992177282388818
Energy: 1.0002133556579278
Energy: 1.2948327570381508
Energy: 1.099110118977899
Energy: 1.2948327570381508
Energy: 1.0906785881162013
Energy: 1.116789297715848
Energy: 1.0242951659043724
Energy: 1.116789297715848

minimum gb energy = 0.9166459694682936 eV
minimum distance =  2.27710981944252 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.2859583755364106
Energy: 1.3088749979976637
Energy: 1.1121538210274857
Energy: 1.3088749980000745
Energy: 1.1522008509362558
Energy: 1.3042811750369705
Energy: 1.1919190675145108
Energy: 1.3042811750369705
Energy: 1.0848441694626398
Energy: 1.312474674281537
Energy: 1.1086602128376426
Energy: 1.3124746742827422
Energy: 1.2166450848621002
Energy: 1.3728719774075024
Energy: 1.0374079595161094
Energy: 1.3728719774062972
Energy: 1.1895010144670886
Energy: 1.3009971163350182
Energy: 1.1081360808634393
Energy: 1.3009971163350182
Energy: 0.9871891141167372
Energy: 1.215626245904001
Energy: 1.1291606747805423
Energy: 1.21562624590159
Energy: 1.222676227302954
Energy: 1.037732158899538
Energy: 1.0416373429907613
Energy: 1.037732158899538
Energy: 1.0684511369447136
Energy: 1.2152564652386686
Energy: 1.033086660163906
Energy: 1.2152564652386686
Energy: 1.2171710688964261
Energy: 1.3043742688778441
Energy: 1.198036720807453
Energy: 1.3043742688778441
Energy: 1.2203710613854732
Energy: 1.2173760794006452
Energy: 1.1282234481087632
Energy: 1.2173760794066717
Energy: 1.10351292330563
Energy: 1.3358839152982966
Energy: 1.1519277753467596
Energy: 1.3358839152982966
Energy: 1.2189946885928242
Energy: 1.3261955384528168
Energy: 1.037238475847356
Energy: 1.3261955384528168
Energy: 0.9880180431200718
Energy: 1.2302322845214306
Energy: 1.0832105686648958
Energy: 1.2302322845202252
Energy: 1.108698487518625
Energy: 1.2165533584723753
Energy: 1.1938513454309796
Energy: 1.2165533584723753
Energy: 0.9880113168280351
Energy: 1.2312538326978026
Energy: 1.068672597588291
Energy: 1.2312538326978026
Energy: 1.2182484844954906
Energy: 1.235068870745062
Energy: 1.0376325492107334
Energy: 1.2350689885952757
Energy: 1.1037167615114785
Energy: 1.3359221697059889
Energy: 1.1087229564936927
Energy: 1.3359221697059889
Energy: 1.2206654160169352
Energy: 1.2735709137605746
Energy: 1.128665397585151
Energy: 1.2735709137702171
Energy: 1.2171238601043552
Energy: 1.3043668725612403
Energy: 1.1233215433254167
Energy: 1.304366872560035
Energy: 1.0684424489675115
Energy: 1.215086057560931
Energy: 1.0330391901296407
Energy: 1.215086007129101
Energy: 1.222694259659196
Energy: 1.0375166343347517
Energy: 1.042189580356476
Energy: 1.0375166343347517

minimum gb energy = 0.9871891141167372 eV
minimum distance =  2.3292140095079 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.1228971703710393
Energy: 1.441330942646668
Energy: 1.2434207123744503
Energy: 1.441330942646668
Energy: 1.097244882179302
Energy: 1.455425668064447
Energy: 1.0736239405497296
Energy: 1.455425668064447
Energy: 1.075647485656306
Energy: 1.4756409250442115
Energy: 1.073674800355619
Energy: 1.4756409250442115
Energy: 1.1191298580648876
Energy: 1.4420349597290545
Energy: 1.1596256927743
Energy: 1.4420349597290545
Energy: 1.1622080513131776
Energy: 1.0946419896855017
Energy: 1.1251403323731735
Energy: 1.0946419896855017
Energy: 1.0758166588942277
Energy: 1.4749402129689904
Energy: 1.0795828288267624
Energy: 1.4749402129689904
Energy: 1.1242993104571
Energy: 1.2793830704683888
Energy: 1.074784476692933
Energy: 1.2793830704668983
Energy: 1.160651317655649
Energy: 1.4392677998082364
Energy: 1.117520679847693
Energy: 1.4392677998082364
Energy: 1.0735903764036339
Energy: 1.288739227195373
Energy: 1.0988258869072212
Energy: 1.288739227195373
Energy: 1.2206446521993435
Energy: 1.3142351380511834
Energy: 1.0792544039624756
Energy: 1.3142351380541646
Energy: 1.0936989279958929
Energy: 1.4413237971542578
Energy: 1.234021952859035
Energy: 1.4413237971542578
Energy: 1.0734955529270132
Energy: 1.1317068621449458
Energy: 1.2262449247868492
Energy: 1.1317068621449458
Energy: 1.1829712236415688
Energy: 1.4754825154473463
Energy: 1.0750076891109392
Energy: 1.4754825154473463
Energy: 1.074174785223408
Energy: 1.4410140169512042
Energy: 1.118328917057855
Energy: 1.4410140169512042
Energy: 1.123219337539352
Energy: 1.4409998208463224
Energy: 1.1631455138382514
Energy: 1.4409998208463224
Energy: 1.09480941400748
Energy: 1.4763896744903815
Energy: 1.0796087292144831
Energy: 1.4763896744903815
Energy: 1.0743296507694502
Energy: 1.1760948831879188
Energy: 1.225409904951071
Energy: 1.1760948831879188

minimum gb energy = 1.0734955529270132 eV
minimum distance =  2.32319712526968 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.304164936276807
Energy: 1.3007371774162504
Energy: 1.2933114451946874
Energy: 1.300737177415406
Energy: 1.2660997086466481
Energy: 1.2947995692379963
Energy: 1.119559464418831
Energy: 1.2947995692152408
Energy: 1.1932431492867126
Energy: 1.2783138439319173
Energy: 1.1192545315980587
Energy: 1.2783138439251633
Energy: 1.1225452744301285
Energy: 1.2952244160069875
Energy: 1.2626232643597528
Energy: 1.2952244159361108
Energy: 1.241661352226077
Energy: 1.3672360286759317
Energy: 1.1513817437565357
Energy: 1.3672360286759317
Energy: 1.1439201400988344
Energy: 1.398072682715572
Energy: 1.1713084909246898
Energy: 1.3980726827164163
Energy: 1.125652185051871
Energy: 1.297190107891007
Energy: 1.1241972069025548
Energy: 1.2971901078918513
Energy: 1.1730947625209127
Energy: 1.2949673672376443
Energy: 1.1377454245887846
Energy: 1.2949673672190714
Energy: 1.1456351883341465
Energy: 1.3984864117916134
Energy: 1.2285193222769677
Energy: 1.3984864117907694
Energy: 1.2860691868357357
Energy: 1.248658994622186
Energy: 1.1199487730598394
Energy: 1.2486589946196534
Energy: 1.1262608201979427
Energy: 1.3007487313194392
Energy: 1.1978345851814858
Energy: 1.3007487313194392
Energy: 1.141491538046359
Energy: 1.2954756370880227
Energy: 1.141657758699686
Energy: 1.2954756370871785
Energy: 1.2536642285261308
Energy: 1.301840689163043
Energy: 1.299268232835155
Energy: 1.301840689194279
Energy: 1.119212202144913
Energy: 1.4958621399121634
Energy: 1.2089183939863528
Energy: 1.4958621399121634
Energy: 1.2208404231741685
Energy: 1.4006402005053056
Energy: 1.1457912676350281
Energy: 1.4006402005061498
Energy: 1.1904198126135026
Energy: 1.2931137709922695
Energy: 1.172631048697185
Energy: 1.2931137709205485
Energy: 1.1239042212886154
Energy: 1.3658792083371243
Energy: 1.32700590970438
Energy: 1.3658792083371243
Energy: 1.1973658824392486
Energy: 1.2849435134103746
Energy: 1.143849044750597
Energy: 1.2849435134103746
Energy: 1.2131172315753296
Energy: 1.3969816204012677
Energy: 1.1871191481456536
Energy: 1.3969816204021124
Energy: 1.1222326131289464
Energy: 1.2929801843462514
Energy: 1.1231121457440016
Energy: 1.292980184699828
Energy: 1.1471641899029994
Energy: 1.2864777409827708
Energy: 1.1924516136661427
Energy: 1.2864777409853032
Energy: 1.1235189207467366
Energy: 1.2952394613696046
Energy: 1.2871311862359018
Energy: 1.2952394612928186
Energy: 1.2503948665867253
Energy: 1.3001140970090221
Energy: 1.1211280352490565
Energy: 1.3001140970073337
Energy: 1.229801535787459
Energy: 1.3683264945522453
Energy: 1.193960332918294
Energy: 1.3683264945522453
Energy: 1.2979829120690678
Energy: 1.2783663305225732
Energy: 1.250567183146062
Energy: 1.2783663305242616
Energy: 1.281351447881315
Energy: 1.3030581291979526
Energy: 1.122219707030448
Energy: 1.3030581291971084
Energy: 1.150626186927429
Energy: 1.295730762931061
Energy: 1.3334660628292134
Energy: 1.2957307629319053
Energy: 1.171287365445924
Energy: 1.2948063533615093
Energy: 1.1940150011570516
Energy: 1.2948063533615093
Energy: 1.3270023462081093
Energy: 1.4816917037988622
Energy: 1.1253567970592124
Energy: 1.4816917037971733
Energy: 1.1375926622427213
Energy: 1.3965449007460649
Energy: 1.1983448131334793
Energy: 1.3965449007460649

minimum gb energy = 1.119212202144913 eV
minimum distance =  2.2636089145667 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.1186712946913686
Energy: 1.1165273142766647
Energy: 1.2147374888236169
Energy: 1.1165273142766647
Energy: 1.264398749764055
Energy: 1.2302167319952995
Energy: 1.1610769943900419
Energy: 1.2302167319952995
Energy: 1.1195890784153528
Energy: 1.1167311966529283
Energy: 1.26985523350102
Energy: 1.1167311966529283
Energy: 1.1196291067272348
Energy: 1.1168055396388386
Energy: 1.11664053899145
Energy: 1.1168055396407819
Energy: 1.2643257226682056
Energy: 1.230269650773199
Energy: 1.1817357946720624
Energy: 1.230269650773199
Energy: 1.1186712946913686
Energy: 1.1165273142766647
Energy: 1.2495012898810247
Energy: 1.1165273142766647
Energy: 1.2643987497621114
Energy: 1.2302167319952995
Energy: 1.1946885088092065
Energy: 1.2302167319972432
Energy: 1.1195890784153528
Energy: 1.1167311966548719
Energy: 1.269855232859914
Energy: 1.1167311966548719
Energy: 1.1196291067252913
Energy: 1.1168055396407819
Energy: 1.1614062467074895
Energy: 1.1168055396407819
Energy: 1.2643257226682056
Energy: 1.230269650773199
Energy: 1.2551242614107236
Energy: 1.230269650773199
Energy: 1.1186712946913686
Energy: 1.1165273142766647
Energy: 1.2731329081910305
Energy: 1.1165273142747212
Energy: 1.264398749764055
Energy: 1.2302167319952995
Energy: 1.1946678475522885
Energy: 1.2302167319952995
Energy: 1.1195890784153528
Energy: 1.1167311966529283
Energy: 1.269855234796793
Energy: 1.1167311966529283

minimum gb energy = 1.1165273142747212 eV
minimum distance =  2.30833920366963 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.2322359855063967
Energy: 1.2628792787764018
Energy: 1.4779684734531717
Energy: 1.2628792787735246
Energy: 1.3448562989094708
Energy: 1.2460519263330059
Energy: 1.1982549432592515
Energy: 1.2460519263330059
Energy: 1.1480676149941698
Energy: 1.2127343862965196
Energy: 1.1645870673413934
Energy: 1.2127343862972388
Energy: 1.2060958230692682
Energy: 1.5326378505548206
Energy: 1.1587368127142033
Energy: 1.5326378505548206
Energy: 1.2531490164421335
Energy: 1.2756321375719837
Energy: 1.165207595536131
Energy: 1.2756321375719837
Energy: 1.215136645482336
Energy: 1.2123934956013922
Energy: 1.190363571579847
Energy: 1.2123934956021118
Energy: 1.377311281451638
Energy: 1.2684479696062687
Energy: 1.199202028972847
Energy: 1.2684479696062687
Energy: 1.163762603304796
Energy: 1.5373817379587629
Energy: 1.268109362933694
Energy: 1.5373817379580434
Energy: 1.1511916149360581
Energy: 1.5478220268624088
Energy: 1.2218154314800254
Energy: 1.5478220268616893
Energy: 1.1493060825695212
Energy: 1.241292236114638
Energy: 1.1995648595068709
Energy: 1.2412922361139187
Energy: 1.1659212007955237
Energy: 1.5670896760130923
Energy: 1.3146842010011992
Energy: 1.5670896760138115
Energy: 1.3351867195137501
Energy: 1.3424799275504051
Energy: 1.1540665386798283
Energy: 1.342479927556879
Energy: 1.150541709486703
Energy: 1.2416828011893015
Energy: 1.296241607227995
Energy: 1.2416828004659728
Energy: 1.2119225314160933
Energy: 1.5386010931293723
Energy: 1.2385267764889205
Energy: 1.5386010931293723
Energy: 1.2077035592738035
Energy: 1.3800842763258305
Energy: 1.2307289897644502
Energy: 1.3800842763229533
Energy: 1.1543082108864782
Energy: 1.5470923071013634
Energy: 1.1960685055721798
Energy: 1.5470923071020826
Energy: 1.2069110145644932
Energy: 1.380821401354584
Energy: 1.165510682216359
Energy: 1.380821401354584
Energy: 1.1695711217830236
Energy: 1.2687551748866954
Energy: 1.3145038865205931
Energy: 1.2687551748866954
Energy: 1.319226903345444
Energy: 1.241523619180421
Energy: 1.2171777177054286
Energy: 1.2415236190516594
Energy: 1.193457621365791
Energy: 1.2597991734733316
Energy: 1.2296058974410924
Energy: 1.2597991734740512
Energy: 1.2127343232580974
Energy: 1.5309349320140977
Energy: 1.2086802106737793
Energy: 1.5309349320148173
Energy: 1.2290344187178055
Energy: 1.2843210474944733
Energy: 1.148926758290022
Energy: 1.2843210474930347
Energy: 1.2218035999545678
Energy: 1.405301033946052
Energy: 1.1514057487273666
Energy: 1.405301033946052
Energy: 1.3736279400742726
Energy: 1.3439014188868075
Energy: 1.1635448809576625
Energy: 1.3439014188889653
Energy: 1.1982882733075009
Energy: 1.4423903953023032
Energy: 1.4193631425155593
Energy: 1.4423903953023032
Energy: 1.1707188148229224
Energy: 1.212982505049328
Energy: 1.1484260083154232
Energy: 1.2129825050486083
Energy: 1.2124414353937951
Energy: 1.3819423395919495
Energy: 1.2055457724745129
Energy: 1.3819423395905106
Energy: 1.228190207839286
Energy: 1.5325105229148872
Energy: 1.2064069872025867
Energy: 1.5325105229156069
Energy: 1.2033014088285598
Energy: 1.2124584471207083
Energy: 1.1477138651798329
Energy: 1.2124584471199893
Energy: 1.1979263634237742
Energy: 1.344615764227183
Energy: 1.421094346758167
Energy: 1.3446157642286216
Energy: 1.3798844125020169
Energy: 1.2066931969025556
Energy: 1.1626840596969155
Energy: 1.2066931969025556
Energy: 1.1990871708602062
Energy: 1.271417549133659
Energy: 1.1489838647765513
Energy: 1.2714175491329396
Energy: 1.198352316334538
Energy: 1.284063772244506
Energy: 1.1482305903129804
Energy: 1.2840637722437864
Energy: 1.2039882994712683
Energy: 1.5322094972506453
Energy: 1.2060356486379311
Energy: 1.532209497249926
Energy: 1.1653789658527116
Energy: 1.41654944788767
Energy: 1.3771519967824488
Energy: 1.41654944788767

minimum gb energy = 1.1477138651798329 eV
minimum distance =  2.27240628618086 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.266128920905118
Energy: 1.2667781853921467
Energy: 1.3180021961975874
Energy: 1.2667785792217678
Energy: 1.305523501839254
Energy: 1.3379509696502692
Energy: 1.211861233584533
Energy: 1.3379509696502692
Energy: 1.1665638912951952
Energy: 1.2090175809058643
Energy: 1.1866173192202218
Energy: 1.209017580904723
Energy: 1.1272337754213984
Energy: 1.4314698551730647
Energy: 1.191124325745209
Energy: 1.4314698551730647
Energy: 1.174204479861451
Energy: 1.3113250402089627
Energy: 1.1878266311594599
Energy: 1.3113250402089627
Energy: 1.1948085137726143
Energy: 1.255620168156012
Energy: 1.2199513311880883
Energy: 1.255620168156012
Energy: 1.401555772325245
Energy: 1.3536050354902514
Energy: 1.1599564548534809
Energy: 1.3536050354891103
Energy: 1.1558063589743812
Energy: 1.2319572917744446
Energy: 1.3708979238944417
Energy: 1.2319572917744446
Energy: 1.2904233871815907
Energy: 1.2331320040963976
Energy: 1.2303750723441051
Energy: 1.2331320040963976
Energy: 1.1629911914614808
Energy: 1.254704221302595
Energy: 1.1630886005578607
Energy: 1.2547042213037363
Energy: 1.1526366802302115
Energy: 1.23305644078538
Energy: 1.2584363180191591
Energy: 1.233056440786521
Energy: 1.2709177108670642
Energy: 1.4299695391120544
Energy: 1.1268011696386886
Energy: 1.4299695391131957
Energy: 1.1913733492060556
Energy: 1.3015103981223977
Energy: 1.3697493642906402
Energy: 1.3015103981223977
Energy: 1.2821667251711826
Energy: 1.4086895707906393
Energy: 1.1932500749586723
Energy: 1.4086895707917806
Energy: 1.1251541613688218
Energy: 1.412586147729758
Energy: 1.3749515597821136
Energy: 1.412586147729758
Energy: 1.2581511784162904
Energy: 1.2325071935852627
Energy: 1.1560567878943007
Energy: 1.2325071935852627
Energy: 1.2716358510532697
Energy: 1.2682668672750164
Energy: 1.167094894311605
Energy: 1.2682668672727337
Energy: 1.2195837099674562
Energy: 1.422001746912936
Energy: 1.1633048065418523
Energy: 1.4220017469117947
Energy: 1.224217268248246
Energy: 1.2324659789292123
Energy: 1.155463990225886
Energy: 1.2324659789280712
Energy: 1.2117140872202274
Energy: 1.289055544615193
Energy: 1.445850206893896
Energy: 1.2890555447646503
Energy: 1.3064030257122687
Energy: 1.2437968865318798
Energy: 1.1968949059504794
Energy: 1.2437968865307385
Energy: 1.2074571516433006
Energy: 1.3100429088341365
Energy: 1.2857023515161397
Energy: 1.3100429088329952

minimum gb energy = 1.1251541613688218 eV
minimum distance =  2.28953371949807 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.2671347812050595
Energy: 1.2632283006067182
Energy: 1.449231296072312
Energy: 1.2632283006075251
Energy: 1.3523605251823956
Energy: 1.27121776473328
Energy: 1.2051143870656318
Energy: 1.2712177647300518
Energy: 1.1787107462422346
Energy: 1.4690787540112444
Energy: 1.168653450380554
Energy: 1.4690787540104373
Energy: 1.1441278792268694
Energy: 1.3381200710664898
Energy: 1.2078473708618258
Energy: 1.3381200710664898
Energy: 1.184018373385443
Energy: 1.2897764480630083
Energy: 1.1820615827901226
Energy: 1.2897764480646225
Energy: 1.1816395731952154
Energy: 1.2638858103355006
Energy: 1.275991742801624
Energy: 1.2638858103371147
Energy: 1.3872036972484811
Energy: 1.438931690881754
Energy: 1.1834842415226476
Energy: 1.4389316908825611
Energy: 1.181576569399801
Energy: 1.2638960944255555
Energy: 1.4101525290224104
Energy: 1.2638960944263626
Energy: 1.2912601897603921
Energy: 1.317459464020411
Energy: 1.2044936877178887
Energy: 1.3174594640187967
Energy: 1.1808100695085713
Energy: 1.2976087769110152
Energy: 1.3508170480780075
Energy: 1.2976087769142428
Energy: 1.1478284486493122
Energy: 1.4680421450624244
Energy: 1.1631025987576042
Energy: 1.4680421450616172
Energy: 1.2340034039716479
Energy: 1.2901736413018199
Energy: 1.1597755657271298
Energy: 1.2901736413018199
Energy: 1.2713436487255045
Energy: 1.2646355357697343
Energy: 1.1631900299673539
Energy: 1.2646355357673131
Energy: 1.1690684728103353
Energy: 1.2484678503352886
Energy: 1.158986643128321
Energy: 1.2484678503369027
Energy: 1.1826188526768229
Energy: 1.3708321067328846
Energy: 1.391419737954442
Energy: 1.3708321067336917
Energy: 1.3390869268541081
Energy: 1.247153300140527
Energy: 1.2007287740870094
Energy: 1.247153300142141
Energy: 1.182752965941571
Energy: 1.2907462371408251
Energy: 1.3249857075550482
Energy: 1.2907462371400182
Energy: 1.1830115996754063
Energy: 1.25033460932873
Energy: 1.1593986804209464
Energy: 1.25033460932873
Energy: 1.1808259316306338
Energy: 1.2639873298151296
Energy: 1.1633023843366526
Energy: 1.2639873298159365
Energy: 1.180369675698137
Energy: 1.2900081628059408
Energy: 1.1599465517403398
Energy: 1.2900081628051336
Energy: 1.1493092506952771
Energy: 1.4223807907607926
Energy: 1.204233545576233
Energy: 1.4223807907624064
Energy: 1.1805866361672817
Energy: 1.462265433844878
Energy: 1.3503919932685733
Energy: 1.462265433844878
Energy: 1.3374984306947684
Energy: 1.4333080693820321
Energy: 1.1743462474179756
Energy: 1.433308069384453
Energy: 1.27010363103394
Energy: 1.2637773453813863
Energy: 1.266157905524765
Energy: 1.263777345383
Energy: 1.2150884643280777
Energy: 1.290293716826415
Energy: 1.163091811975369
Energy: 1.290293716824801
Energy: 1.142977521900667
Energy: 1.466814004417105
Energy: 1.1558232397500243
Energy: 1.466814004417105
Energy: 1.1824386433534662
Energy: 1.2979103894389095
Energy: 1.2464613885830602
Energy: 1.2979103894381023
Energy: 1.143763717425469
Energy: 1.2903841061236894
Energy: 1.2076541615513792
Energy: 1.2903841061236894
Energy: 1.1779539558653227
Energy: 1.263775585058512
Energy: 1.23871423464789
Energy: 1.2637755850560908
Energy: 1.4051988503214312
Energy: 1.2278020543803208
Energy: 1.2069666831018089
Energy: 1.2278020543835488
Energy: 1.1779539402750447
Energy: 1.263859416265266
Energy: 1.35788986169677
Energy: 1.26385941626688

minimum gb energy = 1.142977521900667 eV
minimum distance =  2.27285162841895 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.19307935824023
Energy: 1.197732537729991
Energy: 1.1256672057589865
Energy: 1.197732537729991
Energy: 1.1280897192964567
Energy: 1.2134883015575673
Energy: 1.2154027194257309
Energy: 1.2134883015594728
Energy: 1.1581453312828296
Energy: 1.2823278479483697
Energy: 1.1260962661714229
Energy: 1.2823278479489006
Energy: 1.2130750449484986
Energy: 1.2380904611459662
Energy: 1.2153718431592289
Energy: 1.2380904611484336
Energy: 1.1912310484546915
Energy: 1.27002028789152
Energy: 1.2786974882321787
Energy: 1.27002028789152
Energy: 1.0822321664284766
Energy: 1.3079966147311284
Energy: 1.0822374533348371
Energy: 1.3079966147316595
Energy: 1.1589504681174458
Energy: 1.2699761206739215
Energy: 1.190889973955387
Energy: 1.2699761206736404
Energy: 1.2154582982448972
Energy: 1.2377399164072276
Energy: 1.2160351784939412
Energy: 1.2377399164017304
Energy: 1.1258432900774897
Energy: 1.2821171523089883
Energy: 1.1263248283099265
Energy: 1.2821171523092378

minimum gb energy = 1.0822321664284766 eV
minimum distance =  2.30529410093513 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.1500687745377725
Energy: 1.171880219335535
Energy: 1.1074682603353452
Energy: 1.171880219335535
Energy: 1.3981642480781322
Energy: 1.1258108634306025
Energy: 1.0965419039076572
Energy: 1.1258108634245039
Energy: 1.0851345039449947
Energy: 1.1536368068264022
Energy: 1.2793940295133417
Energy: 1.1536368068256402
Energy: 1.074215277183915
Energy: 1.2071770267243536
Energy: 1.125665322277553
Energy: 1.2071770267258781
Energy: 1.1110129771500767
Energy: 1.2146496472937824
Energy: 1.2760300501792974
Energy: 1.21464964729302
Energy: 1.1168419931142868
Energy: 1.1738492949241728
Energy: 1.1024484145142335
Energy: 1.1738492949241728
Energy: 1.0856999647304788
Energy: 1.214358096338075
Energy: 1.0878882208703389
Energy: 1.214358096338075
Energy: 1.0864963073161924
Energy: 1.1743219917050518
Energy: 1.0916663478060087
Energy: 1.174321991703527
Energy: 1.1136796406841334
Energy: 1.2137516007867655
Energy: 1.0874660417397313
Energy: 1.2137516007875278
Energy: 1.1221714441141173
Energy: 1.216365671377658
Energy: 1.0722474804744873
Energy: 1.216365671377658
Energy: 1.0957410085880408
Energy: 1.2034391191842198
Energy: 1.0890943409125848
Energy: 1.2034391191842198
Energy: 1.0879724235149735
Energy: 1.141283951746371
Energy: 1.1756447868057982
Energy: 1.1412839517045124
Energy: 1.1226706056402518
Energy: 1.1722293162457569
Energy: 1.1648892259577286
Energy: 1.1722293162449946
Energy: 1.113102478988737
Energy: 1.172023745107319
Energy: 1.3814390178651796
Energy: 1.1720237451065567
Energy: 1.3082065002458005
Energy: 1.11539542400241
Energy: 1.0889239602357816
Energy: 1.1153954240031723
Energy: 1.1230445018983706
Energy: 1.1535411178267931
Energy: 1.1011705210157992
Energy: 1.1535411178267931
Energy: 1.276908355385004
Energy: 1.140304766227516
Energy: 1.1025706206742525
Energy: 1.1403047662267536
Energy: 1.1130594887795393
Energy: 1.1721778787182502
Energy: 1.1730782514096205
Energy: 1.1721778787190125
Energy: 1.1115302967428091
Energy: 1.2170834987578627
Energy: 1.0978470997763974
Energy: 1.2170834987571004
Energy: 1.0855752355230825
Energy: 1.2336013720805634
Energy: 1.1288291751231356
Energy: 1.233601372081326
Energy: 1.072878596593586
Energy: 1.199570343159179
Energy: 1.122000704961827
Energy: 1.199570343159179
Energy: 1.1118884432644889
Energy: 1.2143008538551838
Energy: 1.1118477504040292
Energy: 1.2143008538559463
Energy: 1.0991641671564059
Energy: 1.1733772865204763
Energy: 1.0731571624209328
Energy: 1.1733772865197136
Energy: 1.1744598861075781
Energy: 1.2054888335410416
Energy: 1.0858605909539283
Energy: 1.2054888335402794
Energy: 1.1815005986596832
Energy: 1.1577579052653124
Energy: 1.0949371283555558
Energy: 1.1577579052653124
Energy: 1.1499972413682369
Energy: 1.172104593275962
Energy: 1.113149322010873
Energy: 1.172104593275962
Energy: 1.1157960253352652
Energy: 1.1042580588513755
Energy: 1.134123154200803
Energy: 1.1042580588521378
Energy: 1.098058255021685
Energy: 1.2083253301827745
Energy: 1.1230820749808341
Energy: 1.2083253301850616
Energy: 1.0956892328252665
Energy: 1.1258273537958257
Energy: 1.4350763833103837
Energy: 1.1258273537950634
Energy: 1.2427984179234814
Energy: 1.1720364059572919
Energy: 1.1128242129061574
Energy: 1.1720364059580546
Energy: 1.1067015592394502
Energy: 1.135823642603371
Energy: 1.2672452727294587
Energy: 1.1358236426026085
Energy: 1.2750128763697495
Energy: 1.1575458173947457
Energy: 1.0878550537845155
Energy: 1.1575458173916964
Energy: 1.124274257435885
Energy: 1.206713733588504
Energy: 1.0741535180443853
Energy: 1.2067137335892664

minimum gb energy = 1.0722474804744873 eV
minimum distance =  2.29480829195711 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.1142787052219507
Energy: 1.1110539868080294
Energy: 1.0433393785548846
Energy: 1.1110539868080294
Energy: 1.334649193961147
Energy: 1.056234406625478
Energy: 1.0627608159312798
Energy: 1.056234406625478
Energy: 1.0193741152699862
Energy: 1.1115000331070863
Energy: 1.479341042592279
Energy: 1.1115000331049782
Energy: 1.0653337871202986
Energy: 1.1641328993808968
Energy: 1.0611779415619955
Energy: 1.1641328993819506
Energy: 1.0201968783306445
Energy: 1.206421551228742
Energy: 1.28552094976512
Energy: 1.2064215512276877
Energy: 1.0230469876971997
Energy: 1.1584650689317264
Energy: 1.0617426944749098
Energy: 1.158465068928564
Energy: 1.0211096906161194
Energy: 1.2112174055163507
Energy: 1.0733134438658896
Energy: 1.2112174055152967
Energy: 1.0209472413753296
Energy: 1.1148207693642453
Energy: 1.0715590633029575
Energy: 1.1148207693631915
Energy: 1.1168450745545204
Energy: 1.1095524258621987
Energy: 1.0715771571686443
Energy: 1.1095524258600906
Energy: 1.1094595700123595
Energy: 1.1093569971871056
Energy: 1.072251141873739
Energy: 1.1093569971871056
Energy: 1.0207376311255987
Energy: 1.1147901856635871
Energy: 1.0717623507800953
Energy: 1.114790185664641
Energy: 1.0210856645708517
Energy: 1.211094203573529
Energy: 1.078865255399856
Energy: 1.2110942035724748
Energy: 1.022678262507405
Energy: 1.1583443290384625
Energy: 1.061567686664267
Energy: 1.1583443290395166
Energy: 1.020151782214614
Energy: 1.205943751881797
Energy: 1.21423467503565
Energy: 1.205943751881797
Energy: 1.0656199179024284
Energy: 1.1640984717606193
Energy: 1.0613079089187905
Energy: 1.1640984717595655
Energy: 1.019179909689981
Energy: 1.1115356941410943
Energy: 1.3010079239460095
Energy: 1.1115356941410943
Energy: 1.3344248934650336
Energy: 1.0562757031560444
Energy: 1.0638076248676849
Energy: 1.0562757031570984
Energy: 1.1142787052230048
Energy: 1.1110539868080294
Energy: 1.067440628244029
Energy: 1.1110539868080294
Energy: 1.334649193962201
Energy: 1.0562344066265321
Energy: 1.0627608159312798
Energy: 1.0562344066265321
Energy: 1.0193741152699862
Energy: 1.1115000331070863
Energy: 1.479341042592279
Energy: 1.1115000331049782
Energy: 1.0653337871224067
Energy: 1.1641328993808968
Energy: 1.0611779415619955
Energy: 1.1641328993819506
Energy: 1.0201968783306445
Energy: 1.2064215512276877
Energy: 1.28552094976512
Energy: 1.206421551228742
Energy: 1.0230469876971997
Energy: 1.1584650689306721
Energy: 1.0617426944749098
Energy: 1.158465068929618
Energy: 1.0211096906171733
Energy: 1.2112174055174045
Energy: 1.0733134438658896
Energy: 1.2112174055163507

minimum gb energy = 1.019179909689981 eV
minimum distance =  2.30188714727124 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.089112586742354
Energy: 1.0860085264095074
Energy: 1.388844132771076
Energy: 1.086008526408856
Energy: 1.316541830368033
Energy: 1.0694812855968192
Energy: 1.036525129072985
Energy: 1.0694812855961677
Energy: 1.0368043136657141
Energy: 1.068204589137945
Energy: 1.3163194506570226
Energy: 1.0682045891366423
Energy: 1.0593349552361708
Energy: 1.25252414023658
Energy: 1.0332026851272782
Energy: 1.252524140237883
Energy: 1.0184684975549405
Energy: 1.1488201089022256
Energy: 1.3159360194828356
Energy: 1.1488201089048315
Energy: 1.0070146124919654
Energy: 1.2690105258220434
Energy: 1.0543693377935044
Energy: 1.269010525822695
Energy: 1.036562965013337
Energy: 1.1273716873800768
Energy: 1.0932319545518212
Energy: 1.1273716873807282
Energy: 1.0181381175463458
Energy: 1.2794187946635682
Energy: 1.0170935699208703
Energy: 1.2794187946635682
Energy: 1.0812480946269958
Energy: 1.2807962220341453
Energy: 1.0589519297991314
Energy: 1.2807962220321911
Energy: 1.0850904968972872
Energy: 1.1111970802496731
Energy: 1.0367683304855102
Energy: 1.111197080250976
Energy: 1.0376323711514785
Energy: 1.251377392693957
Energy: 1.0180018162638063
Energy: 1.2513773926959115
Energy: 1.0400134177263345
Energy: 1.1188969474121468
Energy: 1.0195268106981474
Energy: 1.1188969474127983
Energy: 1.0059301771422686
Energy: 1.2691843725836354
Energy: 1.0349784754887184
Energy: 1.2691843725849383
Energy: 1.0185426010930831
Energy: 1.1482060703433745
Energy: 1.1149596425583903
Energy: 1.148206070344026
Energy: 1.0213141239296806
Energy: 1.2601861222123318
Energy: 1.0949210561047948
Energy: 1.2601861222129833
Energy: 1.037023468448168
Energy: 1.0688176277622166
Energy: 1.313599281276885
Energy: 1.0688176277635195
Energy: 1.0483194913789953
Energy: 1.2615662454400876
Energy: 1.0347009332963832
Energy: 1.2615662454400876
Energy: 1.031994532667801
Energy: 1.0866232794141422
Energy: 1.0330914195006093
Energy: 1.0866232794147936
Energy: 1.2068301457568937
Energy: 1.120711298181544
Energy: 1.0369787909034767
Energy: 1.1207112981821952
Energy: 1.0543794970232274
Energy: 1.0682088130235667
Energy: 1.196993426103447
Energy: 1.0682088130229153
Energy: 1.4575365120313777
Energy: 1.0586173429041363
Energy: 1.0346390101919973
Energy: 1.0586173429047878
Energy: 1.0351825719253536
Energy: 1.0876011364798615
Energy: 1.3241300148239659
Energy: 1.08760113647921
Energy: 1.190444334907014
Energy: 1.050798958027896
Energy: 1.0536689428497277
Energy: 1.0507989580298505
Energy: 1.0377479074699354
Energy: 1.128437917771476
Energy: 1.2227216089160298
Energy: 1.1284379177708246
Energy: 1.046832054265583
Energy: 1.0872696643647148
Energy: 1.0322233802047245
Energy: 1.0872696643673208
Energy: 1.0358408757567028
Energy: 1.1500191418965697
Energy: 1.0516433334618371
Energy: 1.1500191418972212
Energy: 1.180775366456537
Energy: 1.102928442014122
Energy: 1.0378566586155262
Energy: 1.102928442014122
Energy: 1.0982317988762091
Energy: 1.2603377973128047
Energy: 1.0193845957476966
Energy: 1.2603377973128047
Energy: 1.111999762022764
Energy: 1.147778951087912
Energy: 1.0191566787148574
Energy: 1.1477789510885634
Energy: 1.0360145788117803
Energy: 1.2682676562157003
Energy: 1.0618230583244215
Energy: 1.2682676562163517
Energy: 1.0194278007431339
Energy: 1.1480762669886948
Energy: 1.0402541607480584
Energy: 1.1480762669886948
Energy: 1.0195128073065678
Energy: 1.2515740060248055
Energy: 1.035371614216966
Energy: 1.2515740060241538
Energy: 1.0376875991464283
Energy: 1.1113422874070846
Energy: 1.2148744271619243
Energy: 1.1113422874038272
Energy: 1.0633203460465155
Energy: 1.2834448344849683
Energy: 1.0578147436249996
Energy: 1.2834448344862714
Energy: 1.0174476279327103
Energy: 1.0875307375379804
Energy: 1.051773788255152
Energy: 1.087530737538632
Energy: 1.08818421207207
Energy: 1.1287643102249434
Energy: 1.0350023005729025
Energy: 1.1287643102249434
Energy: 1.0538029558296256
Energy: 1.2693262204869789
Energy: 1.0062651982218969
Energy: 1.2693262204869789
Energy: 1.3170271807192024
Energy: 1.1501227754310546
Energy: 1.035231384467623
Energy: 1.150122775431706

minimum gb energy = 1.0059301771422686 eV
minimum distance =  2.29328153943107 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.9482056893517817
Energy: 0.9462783282553479
Energy: 1.373814030028847
Energy: 0.9462783282553479
Energy: 0.9512934767591732
Energy: 0.9873351821297525
Energy: 0.9540396643335863
Energy: 0.9873351821297525
Energy: 0.9545787576538086
Energy: 1.1179515694938238
Energy: 0.933367583486862
Energy: 1.1179515694938238
Energy: 0.9231615564143786
Energy: 0.9873360534607765
Energy: 0.954145954684463
Energy: 0.9873360534607765
Energy: 0.9533547072382774
Energy: 1.031243188344424
Energy: 1.5797897605106384
Energy: 1.031243188344424
Energy: 0.9499136267948168
Energy: 0.9475857271786207
Energy: 0.9513786654964571
Energy: 0.9475857271786207
Energy: 0.9532072863196016
Energy: 1.1179390914180973
Energy: 0.9521638235742091
Energy: 1.1179390914180973
Energy: 0.9087888604078413
Energy: 1.3605561643134572
Energy: 0.9537325483898844
Energy: 1.3605561643134572
Energy: 0.9472775199388133
Energy: 1.0317123101626076
Energy: 0.9243313433429693
Energy: 1.0317123101626076
Energy: 0.9872653269306401
Energy: 0.9460894696059137
Energy: 0.9486461602863038
Energy: 0.9460894696042091
Energy: 0.9434722227141217
Energy: 0.9884926934338486
Energy: 0.9540140671960743
Energy: 0.9884926934338486
Energy: 0.9436110917229837
Energy: 1.121230730192319
Energy: 0.9548684475358317
Energy: 1.121230730192319
Energy: 0.9496327084776447
Energy: 0.9490479882683356
Energy: 0.9149719233605148
Energy: 0.9490479882683356
Energy: 0.9505870698449913
Energy: 1.0300230756843773
Energy: 0.9507444647547703
Energy: 1.0300230756843773
Energy: 0.9242201166399934
Energy: 0.9489769288062201
Energy: 0.9496723217922891
Energy: 0.9489769288062201

minimum gb energy = 0.9087888604078413 eV
minimum distance =  2.31696039088865 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9226692187288762
Energy: 0.8800732732939774
Energy: 0.848316171777898
Energy: 0.8800732732946919
Energy: 1.3763494907465235
Energy: 0.908117977318563
Energy: 0.8641395807906604
Energy: 0.9081179773207063
Energy: 0.8827803148090733
Energy: 0.8809748101710483
Energy: 1.3115763834382643
Energy: 0.8809748101660471
Energy: 0.8886031405059528
Energy: 0.9076901298328465
Energy: 0.8605304563083994
Energy: 0.9076901298349899
Energy: 0.8905966851447565
Energy: 0.9436571459213504
Energy: 0.8904188031273236
Energy: 0.9436571459242082
Energy: 1.0447958601724006
Energy: 0.9083524525170332
Energy: 0.8950188912491476
Energy: 0.9083524525134609
Energy: 0.8906396945533955
Energy: 0.9506020517806019
Energy: 1.2125139995219327
Energy: 0.950602051779173
Energy: 0.8477264807999983
Energy: 0.9084495961230041
Energy: 0.8951985756847569
Energy: 0.9084495961222896
Energy: 0.8908234569010564
Energy: 0.9493080392999071
Energy: 1.0518522801634032
Energy: 0.9493080393041939
Energy: 1.0648988175484724
Energy: 0.9699437716135315
Energy: 0.86080953633608
Energy: 0.969943771612817
Energy: 0.8905258761861655
Energy: 0.9710344861694052
Energy: 0.8633731748768737
Energy: 0.9710344861694052
Energy: 1.2071640159688761
Energy: 0.9698126558094071
Energy: 0.8597420356456267
Energy: 0.9698126558065493
Energy: 0.9303923189371767
Energy: 0.9000573668421844
Energy: 0.8666887167509951
Energy: 0.9000573668407557
Energy: 1.2325871735186127
Energy: 0.9702729385790901
Energy: 0.8597326067384445
Energy: 0.9702729385769467
Energy: 0.8907755329824221
Energy: 0.8805475586027764
Energy: 0.8552184208208391
Energy: 0.8805475585999186
Energy: 0.8877617578969221
Energy: 0.9706002835377857
Energy: 0.8613777278481662
Energy: 0.9706002835349279
Energy: 0.8816239684818541
Energy: 0.8788801788558909
Energy: 0.8649397759275728
Energy: 0.878880178854462
Energy: 0.8800838846121545
Energy: 0.946852004849707
Energy: 0.9028605449306607
Energy: 0.9468520048454201
Energy: 0.881706237374155
Energy: 0.9472914606856603
Energy: 0.9025242517489905
Energy: 0.9472914606828025
Energy: 0.8818730491739537
Energy: 0.9473175389033777
Energy: 0.9026392225458231
Energy: 0.9473175389090933
Energy: 0.8781886807483253
Energy: 0.9468019333866385
Energy: 0.902616964594349
Energy: 0.9468019333894965
Energy: 0.8815638746002098
Energy: 0.8788806572798628
Energy: 0.8652791146795088
Energy: 0.8788806572770049
Energy: 0.8879031612148095
Energy: 0.9704204962166101
Energy: 0.8623601467525556
Energy: 0.9704204962187534
Energy: 0.8908363662618142
Energy: 0.8810932749787779
Energy: 0.8594862983664152
Energy: 0.8810932749787779
Energy: 1.2326296686131504
Energy: 0.9703000811957596
Energy: 0.859801837433119
Energy: 0.970300081199332
Energy: 0.9304497405716716
Energy: 0.9002251743973627
Energy: 0.8680997864221504
Energy: 0.9002251744009351
Energy: 1.2074244709222173
Energy: 0.9699249715449736
Energy: 0.8599493557833688
Energy: 0.9699249715449736
Energy: 0.8905238256077787
Energy: 0.9704820367365589
Energy: 0.8682332474676319
Energy: 0.9704820367401311
Energy: 1.0647607857526153
Energy: 0.9697755083956072
Energy: 0.8606367462191689
Energy: 0.9697755083984652
Energy: 0.8907832912559099
Energy: 0.9494895606451643
Energy: 1.0546602577404431
Energy: 0.9494895606437355
Energy: 0.8519174604371249
Energy: 0.9084185923910055
Energy: 0.8950184067163238
Energy: 0.9084185923910055
Energy: 0.8906121275863517
Energy: 0.9503635545391228
Energy: 1.2231749510979026
Energy: 0.9503635545405518
Energy: 1.0447605607161168
Energy: 0.9083154016828858
Energy: 0.8951205136149657
Energy: 0.9083154016843148
Energy: 0.8906554198923176
Energy: 0.9435451909528013
Energy: 1.223262045734561
Energy: 0.9435451909528013
Energy: 0.8884630330566625
Energy: 0.9081593760617482
Energy: 0.8605101052092335
Energy: 0.9081593760631771

minimum gb energy = 0.8477264807999983 eV
minimum distance =  2.33015295237921 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.8401904994097982
Energy: 0.8378638165980797
Energy: 1.1238971291249917
Energy: 0.8378638165980797
Energy: 1.3640784547161924
Energy: 0.836766359620702
Energy: 0.7737480679846999
Energy: 0.836766359620702
Energy: 0.8033057878157556
Energy: 0.9380746497847543
Energy: 1.0851601201435352
Energy: 0.9380746497847543
Energy: 0.7734598709742561
Energy: 0.8369329019190861
Energy: 0.7742514808781518
Energy: 0.8369329019190861
Energy: 0.7738252101571916
Energy: 0.836893407549441
Energy: 0.7694875240997076
Energy: 0.836893407549441
Energy: 0.7472898965065088
Energy: 0.8368791428522555
Energy: 0.7714941819113252
Energy: 0.8368791428522555
Energy: 0.8078716856284109
Energy: 0.8821242455133973
Energy: 1.0831940084080618
Energy: 0.8821242455133973
Energy: 0.7730159317234705
Energy: 0.838764376603752
Energy: 0.8429551606896792
Energy: 0.838764376603752
Energy: 0.7736453349412253
Energy: 0.8366764746080689
Energy: 1.0823652660121665
Energy: 0.8366764746092982
Energy: 1.122878995241586
Energy: 0.9270332156570812
Energy: 0.7717005397689362
Energy: 0.9270332156583102
Energy: 0.8079282947180636
Energy: 0.8814329392553947
Energy: 0.7730950361142748
Energy: 0.8814329392566238
Energy: 1.1424308711932183
Energy: 0.8372649445977361
Energy: 0.7741791380040697
Energy: 0.8372649445977361
Energy: 0.7739525977030205
Energy: 0.8365224402381227
Energy: 0.7546897215015805
Energy: 0.8365224402381227
Energy: 1.082972339341149
Energy: 0.8817172275008086
Energy: 0.772294105320765
Energy: 0.8817172275008086
Energy: 0.8434076116538329
Energy: 0.8828601713876647
Energy: 0.7722931850586479
Energy: 0.8828601713876647
Energy: 0.8354201994655851
Energy: 0.8371423863751538
Energy: 0.7747522028446229
Energy: 0.8371423863739246
Energy: 0.7742125309313637
Energy: 0.9294315040274088
Energy: 0.7366383035903644
Energy: 0.9294315040274088
Energy: 0.7687123028622689
Energy: 0.8824759012474641
Energy: 0.7726207221899711
Energy: 0.8824759014072054
Energy: 0.7752261989802567
Energy: 0.8392149790696852
Energy: 0.7764059537407045
Energy: 0.8392149790696852
Energy: 0.7714345051388056
Energy: 0.836650416277669
Energy: 0.7679241653479261
Energy: 0.8366504162752106

minimum gb energy = 0.7366383035903644 eV
minimum distance =  2.33287605386677 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7565848211132242
Energy: 0.7019411520776478
Energy: 0.9788345090629993
Energy: 0.7019411520776478
Energy: 1.3620841641016794
Energy: 0.7266631527312631
Energy: 0.7062993960872337
Energy: 0.7266631527303032
Energy: 0.7017156231512572
Energy: 0.7006015310823671
Energy: 0.6516576326712922
Energy: 0.7006015310823671
Energy: 0.9152883082633422
Energy: 0.7269485794073801
Energy: 0.7065111383010314
Energy: 0.7269485794073801
Energy: 0.7059116679702784
Energy: 0.7270286997700829
Energy: 0.6639412446469659
Energy: 0.7270286997691231
Energy: 0.6640552605697541
Energy: 0.7266420796999006
Energy: 0.7064855230568015
Energy: 0.7266420796999006
Energy: 0.7061514576138467
Energy: 0.7005202112646792
Energy: 0.913913175892659
Energy: 0.7005202112656391
Energy: 0.6507581256689814
Energy: 0.7548817015190018
Energy: 0.7025552794348972
Energy: 0.7548817015199616
Energy: 0.7056178748719586
Energy: 0.7272941772382786
Energy: 1.130730469749156
Energy: 0.7272941772382786
Energy: 0.6711939134206125
Energy: 0.7008169351268653
Energy: 0.7575211872997469
Energy: 0.7008169351268653
Energy: 0.7055889339620334
Energy: 0.70054804363665
Energy: 1.168029061589849
Energy: 0.70054804363665
Energy: 0.9654607751612216
Energy: 0.8255901428870465
Energy: 0.7026531968643216
Energy: 0.8255901428880064
Energy: 0.7058757795872327
Energy: 0.7270981804948562
Energy: 0.9138980706547655
Energy: 0.7270981804948562
Energy: 0.9859738428149831
Energy: 0.9991343307161498
Energy: 0.7067342396250365
Energy: 0.9991343307180695
Energy: 0.7058697937200858
Energy: 0.7009100405620202
Energy: 0.6640453833200608
Energy: 0.7009100405620202
Energy: 0.9718386892740202
Energy: 0.8257779818983745
Energy: 0.7089186268618398
Energy: 0.8257779818974147
Energy: 0.7056355090255391
Energy: 0.7546209425837431
Energy: 0.6573018852059558
Energy: 0.7546209425818234
Energy: 0.9573088363835427
Energy: 0.726767286217719
Energy: 0.7069090332669822
Energy: 0.7267672862186789
Energy: 0.7603887423368925
Energy: 0.7008846176996475
Energy: 0.6641038515016615
Energy: 0.7008846176996475
Energy: 1.1669815297602057
Energy: 0.8294191004757084
Energy: 0.7083386600605253
Energy: 0.8294191004747486
Energy: 0.7055368896832533
Energy: 0.7556614693748082
Energy: 0.6449758946817534
Energy: 0.7556614693786476
Energy: 0.699189807475516
Energy: 0.7269935313581751
Energy: 0.706976494762525
Energy: 0.7269935313581751
Energy: 0.709023254635043
Energy: 0.9953724517561111
Energy: 0.9850528868241355
Energy: 0.9953724517561111
Energy: 0.663923017952031
Energy: 0.8289173035151364
Energy: 0.7088852010829101
Energy: 0.8289173035151364
Energy: 0.7078435774857494
Energy: 0.8249026083823531
Energy: 0.9707513395281778
Energy: 0.8249026083842725
Energy: 0.6638457428943095
Energy: 0.7552072568361862
Energy: 0.7075255725937954
Energy: 0.7552072568371461

minimum gb energy = 0.6449758946817534 eV
minimum distance =  2.34222808915754 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0438700189540824
Energy: 0.6463895169320596
Energy: 0.5831499673824699
Energy: 0.6463895169328465
Energy: 1.351240617677027
Energy: 0.6286489241930712
Energy: 0.6149463342466985
Energy: 0.6286489241930712
Energy: 0.6466473933624367
Energy: 0.6126276121370815
Energy: 0.5818860961541676
Energy: 0.6126276121370815
Energy: 1.0160621950849915
Energy: 0.6289908732834455
Energy: 0.6148252404485188
Energy: 0.6289908732826587
Energy: 0.612178999022117
Energy: 0.6664197534984575
Energy: 0.9504476558861761
Energy: 0.6664197534984575
Energy: 0.8134542060268529
Energy: 0.6283369647551897
Energy: 0.6148033181849469
Energy: 0.6283369647551897
Energy: 0.6142588537623203
Energy: 0.6287429211778454
Energy: 0.8854697356853767
Energy: 0.6287429211762716
Energy: 0.5894288163282759
Energy: 0.646650861655814
Energy: 0.6127462696327639
Energy: 0.6466508616566009
Energy: 0.6165664863388142
Energy: 0.6466350761365172
Energy: 0.9907982289411351
Energy: 0.646635076137304
Energy: 0.5829082526764353
Energy: 0.6124340229589724
Energy: 0.6470288096399238
Energy: 0.6124340229581856
Energy: 0.6143606515869435
Energy: 0.6291642551004363
Energy: 1.187814545260576
Energy: 0.6291642550980755
Energy: 0.6009762479092179
Energy: 0.6461399159322118
Energy: 1.0398650584739164
Energy: 0.6461399159337857
Energy: 0.6166327006315989
Energy: 0.9143439988837111
Energy: 1.1877798652419844
Energy: 0.914343998884498
Energy: 0.8594860012705968
Energy: 0.7092088829933043
Energy: 0.6470527758811421
Energy: 0.7092088829909435
Energy: 0.6143306150453594
Energy: 0.6291257761913002
Energy: 1.0136583196247746
Energy: 0.629125776195986
Energy: 0.8649135276241285
Energy: 0.6457117788968687
Energy: 0.6127211359902324
Energy: 0.6457117789023413
Energy: 0.6166989678393859
Energy: 0.9127708195824255
Energy: 0.815348157934731
Energy: 0.9127708195808516
Energy: 0.8559821328387519
Energy: 0.7097372578957877
Energy: 0.6149488821887443
Energy: 0.7097372578942138
Energy: 0.614346300936797
Energy: 0.6463709067835047
Energy: 0.6016732524782161
Energy: 0.6463709067842917
Energy: 0.8793579266937283
Energy: 0.6457754854901224
Energy: 0.6191900525388484
Energy: 0.6457754854901224
Energy: 0.6495450862793813
Energy: 0.913403012368281
Energy: 0.593398573123157
Energy: 0.913403012369068
Energy: 1.1877800476241003
Energy: 0.93180475307873
Energy: 0.6150391284210858
Energy: 0.93180475307873
Energy: 1.0366939755184423
Energy: 0.6460350428163857
Energy: 0.6002620045546567
Energy: 0.6460350428163857
Energy: 1.0435296281701254
Energy: 0.9135156666470583
Energy: 0.619237276823004
Energy: 0.9135156666470583
Energy: 0.6490400957879505
Energy: 0.7076920408047594
Energy: 0.5897563968840306
Energy: 0.7076920408055464
Energy: 1.010375340395258
Energy: 1.1700365946957274
Energy: 0.615225524628264
Energy: 1.1700365946957274
Energy: 0.6145899309542349
Energy: 0.6458347779153121
Energy: 0.8630261572512977
Energy: 0.6458347779168858
Energy: 0.6289494659945184
Energy: 0.9127008312735644
Energy: 0.6193201148298979
Energy: 0.9127008312743514
Energy: 0.616867285784082
Energy: 0.7077926831524106
Energy: 0.8554296876899489
Energy: 0.7077926831531974
Energy: 0.5981513855267097
Energy: 0.9492476814398825
Energy: 0.6171430092896563
Energy: 0.9492476814390955
Energy: 0.6186311389937723
Energy: 0.6457380405422066
Energy: 0.8768571839330878
Energy: 0.6457380405445675
Energy: 0.6025831488502138
Energy: 0.9135927947201151
Energy: 0.6523768825632079
Energy: 0.9135927947193282

minimum gb energy = 0.5818860961541676 eV
minimum distance =  2.29373294511615 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.9408415224331841
Energy: 0.5755536510099073
Energy: 0.5464535326077749
Energy: 0.5755536510099073
Energy: 1.344409653358194
Energy: 0.5732233987005932
Energy: 0.5743321394315123
Energy: 0.5732233987025932
Energy: 0.6004976966111327
Energy: 0.5728307332904766
Energy: 0.5421483410461005
Energy: 0.5728307332891435
Energy: 1.0524623017078112
Energy: 0.5727970727380967
Energy: 0.5742504937625227
Energy: 0.572797072742763
Energy: 0.5723561457898938
Energy: 0.6297046383787644
Energy: 0.9038991244073376
Energy: 0.6297046383587656
Energy: 0.902965004466969
Energy: 0.5734952197798844
Energy: 0.5743872235693644
Energy: 0.5734952197812175
Energy: 0.5739494354786927
Energy: 0.5865074379956872
Energy: 0.557981618430772
Energy: 0.5865074379956872
Energy: 0.7297253270643826
Energy: 0.5872111573047192
Energy: 0.5740961112578841
Energy: 0.5872111573020528
Energy: 0.5753718334498344
Energy: 0.5876924248505266
Energy: 0.7403536185230818
Energy: 0.5876924248525265
Energy: 0.5502967130296533
Energy: 0.5733401953112578
Energy: 0.5728882460324753
Energy: 0.5733401953145909
Energy: 0.5739466911093096
Energy: 0.5730536306431153
Energy: 1.0494508652484154
Energy: 0.5730536306324492
Energy: 0.5442147515336755
Energy: 0.5731645239008883
Energy: 0.600754472330634
Energy: 0.5731645238995552
Energy: 0.5753930711416386
Energy: 0.5876082583118541
Energy: 1.202235658860591
Energy: 0.5876082583138541
Energy: 0.5490630776029168
Energy: 0.5735154854723016
Energy: 0.937203244852213
Energy: 0.5735154854449697
Energy: 0.5737656387645943
Energy: 0.5741986600641212
Energy: 1.200347674104551
Energy: 0.5741986600467888
Energy: 0.7771106812033922
Energy: 0.5726765420621334
Energy: 0.6007322267265945
Energy: 0.5726765420628
Energy: 0.5756191121761014
Energy: 0.586949947897251
Energy: 1.04847484307536
Energy: 0.5869499478939179
Energy: 0.7765020301885873
Energy: 0.6273079057073083
Energy: 0.5728172641527638
Energy: 0.6273079057086417
Energy: 0.5740222435209797
Energy: 0.5730472746916009
Energy: 0.9006266944851148
Energy: 0.5730472746922675
Energy: 0.7707422835821829
Energy: 0.5723567022582943
Energy: 0.5744485205644602
Energy: 0.5723567022596274
Energy: 0.5753302225776005
Energy: 0.6013099487858589
Energy: 0.73005706432962
Energy: 0.6013099487878587
Energy: 0.7865390454487565
Energy: 0.5866071000365977
Energy: 0.5771790667862187
Energy: 0.5866071000379309
Energy: 0.5737371538251815
Energy: 0.5727942970329591
Energy: 0.5506954177198526
Energy: 0.57279429684709
Energy: 1.0989277137562974
Energy: 0.5724951348390158
Energy: 0.5742774632011061
Energy: 0.5724951348430156
Energy: 0.6019872894136412
Energy: 0.6014487945514471
Energy: 0.5372001643925406
Energy: 0.601448794546114
Energy: 1.071224267362331
Energy: 0.5867214311554092
Energy: 0.5776469662508438
Energy: 0.5867214311494096
Energy: 0.9355633710751992
Energy: 0.5733504620683388
Energy: 0.547966939431293
Energy: 0.5733504620443401
Energy: 1.196770396386828
Energy: 0.5733569053378302
Energy: 0.5745859441028843
Energy: 0.5733569053358303
Energy: 0.6020805996170039
Energy: 0.6525863483284905
Energy: 0.5395143790734354
Energy: 0.6525863483204909
Energy: 0.9231614586467745
Energy: 0.5866716140556801
Energy: 0.5771370074993247
Energy: 0.5866716140556801
Energy: 0.5742684122990168
Energy: 0.6257053569105259
Energy: 0.7772153372904667
Energy: 0.6257053573982579
Energy: 0.9019909674402317
Energy: 0.5730062346606518
Energy: 0.5745886188488193
Energy: 0.573006234656652
Energy: 0.5754826242951474
Energy: 0.6550279988155235
Energy: 0.7689370658156766
Energy: 0.6550279987555873
Energy: 0.5687869386139768
Energy: 0.6061570436188524
Energy: 0.57729250442602
Energy: 0.606157043617519
Energy: 0.5527251708834158
Energy: 0.6273661225844057
Energy: 0.7839117167505506
Energy: 0.6273661225824058
Energy: 0.5478788126009765
Energy: 0.5724260849200413
Energy: 0.575756450768667
Energy: 0.5724260849207079
Energy: 0.5756718391323128
Energy: 0.656918307836866
Energy: 1.0957244679225746
Energy: 0.6569183062430102

minimum gb energy = 0.5372001643925406 eV
minimum distance =  2.33331951083912 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9593869220371911
Energy: 0.5769720079765096
Energy: 0.5727766345736826
Energy: 0.5769720082452278
Energy: 1.394534735691495
Energy: 0.5612435094275104
Energy: 0.5218219230715566
Energy: 0.5612435094263541
Energy: 0.9251970409578895
Energy: 0.5729833286469456
Energy: 0.47995008904680464
Energy: 0.5729833286469456
Energy: 1.121650622859032
Energy: 0.5622395015493864
Energy: 0.5217237401086812
Energy: 0.5622395015540119
Energy: 0.6454294016764974
Energy: 0.5324882262888632
Energy: 0.6069395460576612
Energy: 0.5324882262900195
Energy: 0.9868382825289944
Energy: 0.573759810191168
Energy: 0.5221168277675523
Energy: 0.5737598102033095
Energy: 0.6061237805210493
Energy: 0.5805522987521069
Energy: 0.580831581768947
Energy: 0.5805522987515287
Energy: 0.8524074628168451
Energy: 0.5609174610713973
Energy: 0.5327890394622166
Energy: 0.560917461070241
Energy: 0.5322394815907132
Energy: 0.5404756784729471
Energy: 0.7404656823076996
Energy: 0.5404756784729471
Energy: 0.7046476258724033
Energy: 0.5737454105047053
Energy: 0.6058968941446397
Energy: 0.5737454105041271
Energy: 0.5224370843127153
Energy: 0.5609436013926968
Energy: 1.0614426768842102
Energy: 0.5609436013921186
Energy: 0.5392759026615508
Energy: 0.5603371432193743
Energy: 0.6445028554489293
Energy: 0.5603371432193743
Energy: 0.5215867973474219
Energy: 0.5406822828604388
Energy: 1.1236689172586438
Energy: 0.5406822828592824
Energy: 0.45434957372767754
Energy: 0.5752009895169735
Energy: 0.9232475735486344
Energy: 0.5752009895169735
Energy: 0.5226076019077885
Energy: 0.5617626633616258
Energy: 1.259316003222762
Energy: 0.5617626633610477
Energy: 0.4565801439492798
Energy: 0.5602362890524558
Energy: 0.8892557717184937
Energy: 0.5602362891472495
Energy: 0.5216149737987124
Energy: 0.5416163025774159
Energy: 1.1902304534329342
Energy: 0.5416163025797287
Energy: 0.6660800574158031
Energy: 0.5737269437403804
Energy: 0.9232345064214638
Energy: 0.5737269440819217
Energy: 0.5224993174592529
Energy: 0.562388562629185
Energy: 1.1218285531914143
Energy: 0.5623885626280287
Energy: 0.6699559618491979
Energy: 0.5613730462222896
Energy: 0.6444587012128561
Energy: 0.5613730461939854
Energy: 0.5223045282107042
Energy: 0.5514532841325908
Energy: 0.9875230408803402
Energy: 0.5514532841325908
Energy: 0.7434991612583044
Energy: 0.5611123471847346
Energy: 0.6057859311635342
Energy: 0.5611123471564305
Energy: 0.5340824494806304
Energy: 0.5605737042530542
Energy: 0.8523310343227796
Energy: 0.5605737042530542
Energy: 0.77188749881518
Energy: 0.580550145608333
Energy: 0.5328398160228356
Energy: 0.5805501456187401
Energy: 0.6060403731506996
Energy: 0.5606664614974842
Energy: 0.7047984964566081
Energy: 0.5606664614957498
Energy: 1.0853554075837117
Energy: 0.5616084289732097
Energy: 0.5240101942188364
Energy: 0.5616084289737878
Energy: 0.6450355433406758
Energy: 0.5602547888486327
Energy: 0.5408502889548712
Energy: 0.5602547888480546
Energy: 1.0159535501222414
Energy: 0.5803390985461059
Energy: 0.5218369679576578
Energy: 0.580339098546684
Energy: 0.9221912639029364
Energy: 0.5712823160118645
Energy: 0.4547999991730002
Energy: 0.5712823160130209
Energy: 1.2663985128406599
Energy: 0.5610309824834893
Energy: 0.5238401969621572
Energy: 0.5610309824655924
Energy: 0.9564067499653656
Energy: 0.5717566652003987
Energy: 0.45741623469495346
Energy: 0.5717566286016789
Energy: 1.1512965669215915
Energy: 0.5806901162542009
Energy: 0.5218883985097403
Energy: 0.5806901162530445
Energy: 0.9222585704043723
Energy: 0.5713413232936617
Energy: 0.4509383240948064
Energy: 0.5713413232930835
Energy: 1.1280738107732702
Energy: 0.5610187930913425
Energy: 0.5239321234583332
Energy: 0.5610187930826699
Energy: 0.6451612969545044
Energy: 0.5607113220268373
Energy: 0.6709130176707676
Energy: 0.5607113220279938
Energy: 0.8822669494926911
Energy: 0.5909855675880454
Energy: 0.5233114396356752
Energy: 0.5909855675724349
Energy: 0.6060924721507794
Energy: 0.5603291366919415
Energy: 0.7477531317690418
Energy: 0.5603291366913633
Energy: 0.8522900516951236
Energy: 0.5605759388688928
Energy: 0.5354800008647324
Energy: 0.5605759388665801
Energy: 0.5340072676579591
Energy: 0.7894658607388935
Energy: 0.7713968624791756
Energy: 0.7894658607394716
Energy: 0.5687232539023116
Energy: 0.6010462561995689
Energy: 0.6069825113486617
Energy: 0.6010462561995689
Energy: 0.5259483050930249
Energy: 0.5603113204440625
Energy: 1.0388102777378356
Energy: 0.5603113204452188
Energy: 0.5408834373012582
Energy: 0.5613642693582912
Energy: 0.6468270660278164
Energy: 0.5613642693594475
Energy: 0.5229125946523313
Energy: 0.7898708791241691
Energy: 1.067834175629843
Energy: 0.7898708791241691

minimum gb energy = 0.4509383240948064 eV
minimum distance =  2.2895948268022 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.018592459890593667
Energy: 0.019059580023135247
Energy: 0.7441251733529157
Energy: 0.019059580023579714
Energy: 0.7435362844300728
Energy: -0.5127381998703484
Energy: -0.5105819605864999
Energy: -0.5127381998699039
Energy: 0.018592459890593667
Energy: 0.019059580023135247
Energy: 0.744029628801707
Energy: 0.019059580023579714
Energy: 0.7435362844292333
Energy: -0.5127381998699039
Energy: -0.5105819605864999
Energy: -0.5127381998703484
Energy: 0.018592459890593667
Energy: 0.019059580023135247
Energy: 0.7440301505356134
Energy: 0.019059580023579714
Energy: 0.7435362844296777
Energy: -0.5127381998707434
Energy: -0.5105819605860554
Energy: -0.5127381998699039

minimum gb energy = -0.5127381998707434 eV
minimum distance =  2.46747347344871 Angstroms
sigma value = 1