Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334775369924
mass=55.845
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: 0.016287555192997346
Energy: 0.16092304864529686
Energy: 0.016287555192997346
Energy: 0.16092304864493093
Energy: 0.016287555192631403
Energy: 0.16092304864493093
Energy: 0.016287555192997346
Energy: 0.016850996060680832
Energy: 0.6994764024140376
Energy: 0.01685099606109252
Energy: 0.6994764024144036
Energy: 0.01685099606109252
Energy: 0.6994764024140376
Energy: 0.01685099606109252
Energy: 1.095608901432415
Energy: 0.5803574725610815
Energy: 1.2419041283208223
Energy: 0.5803574725610815
Energy: 0.016589544038090445
Energy: 0.5803574725614932
Energy: 0.01658954403845639
Energy: 0.01685099606109252
Energy: 0.6994764024140376
Energy: 0.01685099606109252
Energy: 0.6994764024140376
Energy: 0.016850996060680832
Energy: 0.6994764024140376
Energy: 0.01685099606109252
Energy: 0.016287555192631403
Energy: 0.16092304864529686
Energy: 0.016287555192997346
Energy: 0.16092304864493093
Energy: 0.016287555192631403
Energy: 0.16092304864529686
Energy: 0.016287555192631403
Energy: 0.016850996060680832
Energy: 0.6994764024140376
Energy: 0.01685099606109252
Energy: 0.6994764024140376
Energy: 0.01685099606109252
Energy: 0.6994764024140376
Energy: 0.01685099606109252

minimum gb energy = 0.016287555192631403 eV
minimum distance =  2.46534116744547 Angstroms
sigma value = 5


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

Energy: 1.0908886104183402
Energy: 1.0291324565002988
Energy: 1.090888610418832
Energy: 1.0291324565012823
Energy: 1.0908886104183402
Energy: 1.0291324565007904
Energy: 1.090888610418832
Energy: 1.0341909701867684
Energy: 1.0295896771091144
Energy: 1.034190970185293
Energy: 1.0295896771081308
Energy: 1.0341909701867684
Energy: 1.0295896771091144
Energy: 1.034190970185293
Energy: 0.9804179181476196
Energy: 0.9759191484477514
Energy: 0.980417918147128
Energy: 0.9759191484492267
Energy: 0.9804179181481115
Energy: 0.9759191484477514
Energy: 0.980417918147128
Energy: 0.945448485575654
Energy: 1.001242387908559
Energy: 0.9454484855751623
Energy: 1.0012423879090508
Energy: 0.9454484855761458
Energy: 1.0012423879090508
Energy: 0.9454484855746706
Energy: 0.9613655416938065
Energy: 0.9569536655820359
Energy: 0.9613655416938065
Energy: 0.9569536655820359
Energy: 0.9613655416938065
Energy: 0.9569536655820359
Energy: 0.9613655416942983
Energy: 0.9589436298047819
Energy: 1.0151344400380835
Energy: 0.9589436298037983
Energy: 1.0151344400380835
Energy: 0.9589436298052737
Energy: 1.0151344400385753
Energy: 0.9589436298037983
Energy: 1.0643306969163002
Energy: 1.034602069820472
Energy: 1.064330696916792
Energy: 1.034602069820964
Energy: 1.064330696916792
Energy: 1.034602069820472
Energy: 1.064330696916792
Energy: 1.0057047628989808
Energy: 0.9903393225542322
Energy: 1.0057047628984892
Energy: 0.990339322554724
Energy: 1.0057047628989808
Energy: 0.9903393225542322
Energy: 1.0057047628984892
Energy: 0.9976388795987309
Energy: 0.9826210664137816
Energy: 0.9976388795987309
Energy: 0.9826210664152568
Energy: 0.9976388795992228
Energy: 0.9826210664137816
Energy: 0.9976388795987309
Energy: 0.9469957773963711
Energy: 0.9122470669312057
Energy: 0.9469957773953875
Energy: 0.9122470669312057
Energy: 0.9469957773963711
Energy: 0.9122470669312057
Energy: 0.9469957773953875
Energy: 0.9674252825138218
Energy: 0.9970556486444792
Energy: 0.9674252825148054
Energy: 0.9970556486449709
Energy: 0.9674252825138218
Energy: 0.9970556486439873
Energy: 0.9674252825148054
Energy: 1.0454978995058428
Energy: 0.9370262113393907
Energy: 1.045497899507318
Energy: 0.937026211338407
Energy: 1.0454978995053512
Energy: 0.937026211338407
Energy: 1.0454978995063344
Energy: 1.0324676383419185
Energy: 1.0299271133468086
Energy: 1.0324676383404432
Energy: 1.0299271133482841
Energy: 1.0324676383424103
Energy: 1.0299271133468086
Energy: 1.0324676383404432
Energy: 0.9840132502043384
Energy: 0.9794898393420324
Energy: 0.9840132502043384
Energy: 0.9794898393439995
Energy: 0.9840132502043384
Energy: 0.9794898393420324
Energy: 0.9840132502048301
Energy: 0.9408729413515311
Energy: 1.0197551202777873
Energy: 0.9408729413510394
Energy: 1.0197551202777873
Energy: 0.9408729413525146
Energy: 1.0197551202782789
Energy: 0.9408729413510394
Energy: 0.9795384279501654
Energy: 0.9452834642585218
Energy: 0.9795384279511491
Energy: 0.9452834642595054
Energy: 0.9795384279501654
Energy: 0.9452834642585218
Energy: 0.9795384279511491
Energy: 1.0648840149629843
Energy: 1.0497387943598193
Energy: 1.064884014962001
Energy: 1.0497387943617864
Energy: 1.0648840149634762
Energy: 1.0497387943598193
Energy: 1.0648840149624927
Energy: 0.9979498528780265
Energy: 0.9720602437891371
Energy: 0.9979498528785185
Energy: 0.9720602437891371
Energy: 0.9979498528775348
Energy: 0.9720602437891371
Energy: 0.9979498528790102
Energy: 1.0248412981498398
Energy: 0.9578806608011382
Energy: 1.0248412981498398
Energy: 0.9578806608001547
Energy: 1.0248412981488564
Energy: 0.9578806608011382
Energy: 1.0248412981503316
Energy: 1.0167670926721522
Energy: 0.9382288097869126
Energy: 1.0167670926721522
Energy: 0.938228809786421
Energy: 1.016767092672644
Energy: 0.938228809786421
Energy: 1.0167670926716603
Energy: 0.9714818362549993
Energy: 0.9100826483602767
Energy: 0.9714818362549993
Energy: 0.9100826483622438
Energy: 0.9714818362549993
Energy: 0.9100826483612603
Energy: 0.9714818362545076
Energy: 0.9698864643457153
Energy: 0.9117925313894667
Energy: 0.9698864643462072
Energy: 0.9117925313874996
Energy: 0.9698864643457153
Energy: 0.9117925313899584
Energy: 0.9698864643457153
Energy: 1.0009440352347756
Energy: 0.9906812218809381
Energy: 1.0009440352352672
Energy: 0.99068122188143
Energy: 1.0009440352352672
Energy: 0.99068122188143
Energy: 1.000944035235759
Energy: 1.0235153285410195
Energy: 0.9807336174990058
Energy: 1.0235153285405276
Energy: 0.9807336174994975
Energy: 1.0235153285410195
Energy: 0.9807336174990058
Energy: 1.0235153285410195
Energy: 1.0346533001478015
Energy: 1.0367263444566621
Energy: 1.0346533001468181
Energy: 1.0367263444581374
Energy: 1.0346533001473097
Energy: 1.036726344457154
Energy: 1.0346533001458345
Energy: 1.073743202134713
Energy: 1.054961617853877
Energy: 1.073743202134713
Energy: 1.054961617853877
Energy: 1.0737432021342215
Energy: 1.0549616178533852
Energy: 1.073743202134713
Energy: 0.949496057401758
Energy: 0.9618780461887446
Energy: 0.9494960573997909
Energy: 0.9618780461897284
Energy: 0.9494960574022497
Energy: 0.9618780461897284
Energy: 0.9494960574002825
Energy: 1.0462055524371539
Energy: 1.0165875022982858
Energy: 1.0462055524366622
Energy: 1.0165875022997612
Energy: 1.0462055524366622
Energy: 1.0165875022977942
Energy: 1.0462055524371539
Energy: 0.9860401598035076
Energy: 0.9487114862023523
Energy: 0.9860401598035076
Energy: 0.9487114862038278
Energy: 0.9860401598039994
Energy: 0.9487114862018606
Energy: 0.9860401598035076
Energy: 1.0410205742796037
Energy: 1.1126992160811215
Energy: 1.0410205742786203
Energy: 1.1126992160811215
Energy: 1.041020574279112
Energy: 1.1126992160801379
Energy: 1.0410205742781284
Energy: 1.0228660236975
Energy: 1.0164526564967986
Energy: 1.0228660236960245
Energy: 1.0164526564972904
Energy: 1.0228660236975
Energy: 1.0164526564972904
Energy: 1.0228660236955327
Energy: 1.01070004359879
Energy: 0.9817825232456935
Energy: 1.01070004359879
Energy: 0.9817825232471687
Energy: 1.0107000435982982
Energy: 0.981782523246677
Energy: 1.0107000435982982
Energy: 0.9411569888027888
Energy: 0.9462580115963161
Energy: 0.9411569888022969
Energy: 0.9462580115972997
Energy: 0.9411569888027888
Energy: 0.9462580115968078
Energy: 0.9411569888022969
Energy: 0.9486503099225666
Energy: 0.9547424559858676
Energy: 0.9486503099220749
Energy: 0.9547424559858676
Energy: 0.9486503099230584
Energy: 0.9547424559848839
Energy: 0.9486503099220749
Energy: 0.9584296051333178
Energy: 0.9582258381069483
Energy: 0.9584296051318423
Energy: 0.9582258381044895
Energy: 0.9584296051333178
Energy: 0.9582258381064567
Energy: 0.9584296051318423
Energy: 1.0547063517614015
Energy: 1.039365652832212
Energy: 1.0547063517599262
Energy: 1.0393656528317199
Energy: 1.0547063517609097
Energy: 1.039365652832212
Energy: 1.0547063517599262
Energy: 1.0723727858476582
Energy: 1.0136636319506847
Energy: 1.0723727858471666
Energy: 1.01366363195216
Energy: 1.0723727858476582
Energy: 1.0136636319511765
Energy: 1.0723727858471666
Energy: 0.9682612635729694
Energy: 0.9848963028239038
Energy: 0.9682612635744446
Energy: 0.9848963028243957
Energy: 0.9682612635724775
Energy: 0.9848963028248874
Energy: 0.9682612635739529
Energy: 1.0480654381426013
Energy: 0.9900260204576713
Energy: 1.0480654381426013
Energy: 0.9900260204566877
Energy: 1.0480654381421097
Energy: 0.9900260204576713
Energy: 1.0480654381426013
Energy: 0.9747392965483191
Energy: 0.9162103362922916
Energy: 0.9747392965473356
Energy: 0.9162103362913081
Energy: 0.9747392965488109
Energy: 0.9162103362917998
Energy: 0.9747392965473356
Energy: 1.075293352640959
Energy: 1.0202536427893447
Energy: 1.0752933526414508
Energy: 1.0202536427878695
Energy: 1.0752933526389918
Energy: 1.0202536427893447
Energy: 1.0752933526399755
Energy: 1.0449209046333265
Energy: 0.9402472539143767
Energy: 1.0449209046352936
Energy: 0.9402472539153602
Energy: 1.0449209046338184
Energy: 0.9402472539143767
Energy: 1.044920904634802
Energy: 0.9675892386901255
Energy: 1.0070126413995815
Energy: 0.9675892386906173
Energy: 1.0070126413995815
Energy: 0.9675892386896338
Energy: 1.0070126413995815
Energy: 0.9675892386906173
Energy: 0.9716734676995429
Energy: 0.9728324823211318
Energy: 0.9716734676985593
Energy: 0.9728324823206402
Energy: 0.9716734677000348
Energy: 0.9728324823211318
Energy: 0.9716734676985593
Energy: 0.9453484428768935
Energy: 1.0134487171371973
Energy: 0.9453484428778771
Energy: 1.0134487171376891
Energy: 0.9453484428773854
Energy: 1.0134487171367055
Energy: 0.9453484428778771
Energy: 0.9452161280224894
Energy: 0.9282042236562459
Energy: 0.9452161280239647
Energy: 0.9282042236562459
Energy: 0.9452161280219976
Energy: 0.9282042236562459
Energy: 0.9452161280234729
Energy: 0.9697961222755049
Energy: 0.9836424108195757
Energy: 0.9697961222755049
Energy: 0.983642410819084
Energy: 0.9697961222755049
Energy: 0.9836424108195757
Energy: 0.9697961222755049

minimum gb energy = 0.9100826483602767 eV
minimum distance =  2.32258180755523 Angstroms
sigma value = 401


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

Energy: 1.150453481583649
Energy: 1.076802979627886
Energy: 1.0927997610243352
Energy: 1.0768029796301186
Energy: 1.150453481583091
Energy: 1.0768029796306768
Energy: 1.0927997610243352
Energy: 1.0489976367922538
Energy: 1.0663377079559693
Energy: 1.0220010074913282
Energy: 1.0127546704260393
Energy: 1.0489976367916956
Energy: 1.066337707957644
Energy: 1.0220010074896537
Energy: 1.058740648330143
Energy: 0.9997551997555564
Energy: 1.0603586566958607
Energy: 0.9999520163559202
Energy: 1.0587406483284683
Energy: 0.9997551997555564
Energy: 1.060358656693628
Energy: 0.9721264440193519
Energy: 1.0287756366655387
Energy: 0.9721264440182354
Energy: 1.0680635246575119
Energy: 0.9721264440210265
Energy: 1.028775636666097
Energy: 0.9721264440187936
Energy: 0.9816653108943136
Energy: 1.0772652064842818
Energy: 0.9816653108898481
Energy: 1.0772043466549417
Energy: 0.981665310882033
Energy: 1.0772652064826072
Energy: 0.9816653108775671
Energy: 1.040523624623819
Energy: 1.068838954843223
Energy: 1.040523624626052
Energy: 1.0688389548443396
Energy: 1.0405236246271177
Energy: 1.068838954842665
Energy: 1.0405236246271177
Energy: 1.0690468644341247
Energy: 1.051635779971807
Energy: 1.0690468644330082
Energy: 1.0516357799712488
Energy: 1.0690468644335664
Energy: 1.05163577997404
Energy: 1.0690468644341247
Energy: 1.0530936543955804
Energy: 1.070841416608149
Energy: 1.053095158684518
Energy: 1.0705779799540789
Energy: 1.0530936543927891
Energy: 1.0708414166064744
Energy: 1.053095158684518
Energy: 1.044775711694965
Energy: 1.050770641695358
Energy: 1.045094763623677
Energy: 1.0507155488212074
Energy: 1.0447757116932903
Energy: 1.0507706416947997
Energy: 1.0450947636247934
Energy: 1.0335743184955477
Energy: 1.075313481072972
Energy: 1.0336192028266304
Energy: 1.0753134810746467
Energy: 1.033574318496106
Energy: 1.07531348107353
Energy: 1.0336192028260722
Energy: 1.0191401750793045
Energy: 1.0859763951892625
Energy: 1.0190023488700501
Energy: 1.0859763951887045
Energy: 1.0191401750765134
Energy: 1.085976395187588
Energy: 1.019002348851071
Energy: 1.0578076170204442
Energy: 1.005105231154308
Energy: 1.0578076170210025
Energy: 1.0051052311576576
Energy: 1.0578076170215607
Energy: 1.0051052311576576
Energy: 1.0578076170210025
Energy: 1.0217928408855117
Energy: 1.0052531047272604
Energy: 1.0217928408849535
Energy: 1.0052531047267022
Energy: 1.02179284088607
Energy: 1.0052531047283768
Energy: 1.0217928408855117
Energy: 1.0927997610221531
Energy: 1.076802979627886
Energy: 1.0927997610238276
Energy: 1.0768029796306768
Energy: 1.0927997610227114
Energy: 1.0768029796317935
Energy: 1.0927997610238276
Energy: 1.0220010074890953
Energy: 1.002466692233719
Energy: 1.0220010074907702
Energy: 1.0034354955644167
Energy: 1.022001007490212
Energy: 1.0024666922348358
Energy: 1.022001007490212
Energy: 1.0617526655726695
Energy: 1.0038381227327948
Energy: 1.0617507574426681
Energy: 1.004532792666527
Energy: 1.0617526655754606
Energy: 1.0038381227300035
Energy: 1.0617507574409935
Energy: 0.9721264440187936
Energy: 1.0611648912739182
Energy: 0.9721264440187936
Energy: 1.060943629983959
Energy: 0.9721264440187936
Energy: 1.0611648912722436
Energy: 0.9721264440193519
Energy: 0.9816653108898481
Energy: 1.0641646904693571
Energy: 0.9816653108892898
Energy: 1.0640921865827875
Energy: 0.9816653108887315
Energy: 1.064164690468799
Energy: 0.9816653108764508
Energy: 1.040523624623819
Energy: 1.0688389548421067
Energy: 1.0405236246254939
Energy: 1.0688389548443396
Energy: 1.0405236246265595
Energy: 1.0688389548415484
Energy: 1.0405236246265595
Energy: 1.0690468644330082
Energy: 1.0516357799712488
Energy: 1.0690468644330082
Energy: 1.0516357799706906
Energy: 1.069046864435241
Energy: 1.051635779971807
Energy: 1.0690468644346827
Energy: 1.0600506649631185
Energy: 1.0769383794963674
Energy: 1.0736341680608064
Energy: 1.076868560745892
Energy: 1.0600506649653514
Energy: 1.0769383794980418
Energy: 1.0736341680580153
Energy: 1.0429905869389362
Energy: 1.0489346566469036
Energy: 1.041706253670708
Energy: 1.049377847168498
Energy: 1.0429905869406109
Energy: 1.0489346566469036
Energy: 1.041706253670708
Energy: 1.0329258718690244
Energy: 1.0753134810740885
Energy: 1.0671305002202716
Energy: 1.07531348107353
Energy: 1.0329258718690244
Energy: 1.07531348107353
Energy: 1.0671305002202716
Energy: 1.0186034990461095
Energy: 1.0859763951909371
Energy: 1.0188789109933665
Energy: 1.085976395192612
Energy: 1.0186034990461095
Energy: 1.0859763951887045
Energy: 1.0188789109939247
Energy: 1.057807617019886
Energy: 1.0051052311559827
Energy: 1.057807617019886
Energy: 1.0051052311576576
Energy: 1.0578076170210025
Energy: 1.0051052311565412
Energy: 1.0578076170204442
Energy: 1.0559988569425585
Energy: 1.0052531047267022
Energy: 1.0217928408855117
Energy: 1.0052531047272604
Energy: 1.055998856943675
Energy: 1.005253104728935
Energy: 1.0217928408849535
Energy: 1.1504534815842071
Energy: 1.076802979628444
Energy: 1.0927997610243352
Energy: 1.0768029796306768
Energy: 1.1504534815825322
Energy: 1.0768029796306768
Energy: 1.0927997610243352
Energy: 1.0489976367922538
Energy: 1.0663377079559693
Energy: 1.0220010074907702
Energy: 1.0127546704204573
Energy: 1.0489976367922538
Energy: 1.066337707957644
Energy: 1.022001007490212
Energy: 1.0587406483290267
Energy: 0.999755199754998
Energy: 1.060358656696419
Energy: 0.9999520163553621
Energy: 1.0587406483273518
Energy: 0.9997551997555564
Energy: 1.060358656693628
Energy: 0.9721264440187936
Energy: 1.0287756366649805
Energy: 0.9721264440182354
Energy: 1.0680635246502548
Energy: 0.9721264440182354
Energy: 1.028775636666097
Energy: 0.9721264440177279
Energy: 0.9816653108786837
Energy: 1.0772652064842818
Energy: 0.9816653108792418
Energy: 1.0772043466560581
Energy: 0.9816653108814748
Energy: 1.0772652064842818
Energy: 0.9816653108775671
Energy: 1.0405236246249356
Energy: 1.068838954843223
Energy: 1.0405236246265595
Energy: 1.0688389548443396
Energy: 1.0405236246271177
Energy: 1.0688389548421067
Energy: 1.0405236246271177
Energy: 1.0690468644335664
Energy: 1.051635779971807
Energy: 1.0690468644335664
Energy: 1.0516357799706906
Energy: 1.069046864435241
Energy: 1.0516357799723652
Energy: 1.0690468644346827
Energy: 1.0530936543955804
Energy: 1.070841416608149
Energy: 1.053095158684518
Energy: 1.0705779799540789
Energy: 1.0530936543939058
Energy: 1.0708414166064744
Energy: 1.0530951586834016
Energy: 1.044775711694965
Energy: 1.050770641695358
Energy: 1.045094763623677
Energy: 1.050715548819533
Energy: 1.0447757116932903
Energy: 1.0507706416942415
Energy: 1.0450947636247934
Energy: 1.0335743184944315
Energy: 1.0753134810746467
Energy: 1.0336192028277467
Energy: 1.075313481072972
Energy: 1.0335743184949895
Energy: 1.075313481072972
Energy: 1.0336192028277467
Energy: 1.0191401750793045
Energy: 1.0859763951792145
Energy: 1.0190023488901458
Energy: 1.0859763951814474
Energy: 1.019140175078746
Energy: 1.0859763951814474
Energy: 1.0190023488761908
Energy: 1.057807617019886
Energy: 1.0051052311554247
Energy: 1.0578076170193276
Energy: 1.0051052311576576
Energy: 1.0578076170204442
Energy: 1.0051052311570992
Energy: 1.057807617019886
Energy: 1.02179284088607
Energy: 1.0052531047272604
Energy: 1.02179284088607
Energy: 1.005253104726144
Energy: 1.021792840886628
Energy: 1.0052531047283768
Energy: 1.02179284088607
Energy: 1.0927997610221531
Energy: 1.076802979627886
Energy: 1.0927997610238276
Energy: 1.0768029796301186
Energy: 1.0927997610221531
Energy: 1.0768029796306768
Energy: 1.0927997610238276
Energy: 1.0220010074890953
Energy: 1.002466692232603
Energy: 1.0220010074907702
Energy: 1.0034354955644167
Energy: 1.0220010074907702
Energy: 1.002466692233719
Energy: 1.0220010074907702

minimum gb energy = 0.9721264440177279 eV
minimum distance =  2.33994127971705 Angstroms
sigma value = 311


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

Energy: 1.0895625453465207
Energy: 1.0681884100230798
Energy: 1.0895625453471653
Energy: 1.068188410024369
Energy: 1.0895625453465207
Energy: 1.0681884100237244
Energy: 1.0895625453465207
Energy: 0.9996284956998317
Energy: 0.943996219569228
Energy: 0.9996284957004763
Energy: 0.9439962195685834
Energy: 0.9996284956998317
Energy: 0.943996219569228
Energy: 0.9996284957004763
Energy: 0.9135759794292864
Energy: 0.9235864971029155
Energy: 0.9135759794286418
Energy: 0.9235864971029155
Energy: 0.9135759794292864
Energy: 0.9235864971029155
Energy: 0.9135759794292864
Energy: 1.0279115531357825
Energy: 1.0170263235490509
Energy: 1.0279115531357825
Energy: 1.0170263235490509
Energy: 1.0279115531357825
Energy: 1.0170263235490509
Energy: 1.0279115531357825
Energy: 1.0294302528415782
Energy: 1.0552726218729092
Energy: 1.0294302528415782
Energy: 1.0552726218729092
Energy: 1.0294302528415782
Energy: 1.0552726218729092
Energy: 1.0294302528415782
Energy: 0.9078302913866307
Energy: 1.0035207587099437
Energy: 0.9078302913866307
Energy: 1.0035207587099437
Energy: 0.9078302913859864
Energy: 1.0035207587099437
Energy: 0.9078302913866307
Energy: 0.9118318346847448
Energy: 1.0140119895032973
Energy: 0.9118318346841002
Energy: 1.014011989503942
Energy: 0.9118318346834557
Energy: 1.0140119895032973
Energy: 0.9118318346834557
Energy: 1.0549944684399926
Energy: 1.0670860441464347
Energy: 1.0549944684406372
Energy: 1.0670860441464347
Energy: 1.0549944684399926
Energy: 1.0670860441464347
Energy: 1.0549944684406372
Energy: 1.0323884046156124
Energy: 1.0724171405091354
Energy: 1.032388404616257
Energy: 1.0724171405091354
Energy: 1.0323884046156124
Energy: 1.0724171405091354
Energy: 1.032388404616257
Energy: 0.912488089930681
Energy: 1.0299874055960931
Energy: 0.9124880899300658
Energy: 1.029987405596738
Energy: 0.912488089930681
Energy: 1.0299874055960931
Energy: 0.9124880899300658
Energy: 0.9098866835471698
Energy: 1.0555493536758234
Energy: 0.9098866835484591
Energy: 1.0555493536758234
Energy: 0.9098866835471698
Energy: 1.0555493536758234
Energy: 0.9098866835478144
Energy: 1.0739491380749742
Energy: 1.0282929342511653
Energy: 1.0739491380749742
Energy: 1.0282929342511653
Energy: 1.0739491380749742
Energy: 1.0282929342505207
Energy: 1.0739491380749742
Energy: 1.013691962905805
Energy: 1.0273630752794607
Energy: 1.0136919629064496
Energy: 1.0273630752794607
Energy: 1.0136919629064496
Energy: 1.0273630752794607
Energy: 1.013691962905805
Energy: 0.9192649381801107
Energy: 0.933287819641909
Energy: 0.9192649381801107
Energy: 0.933287819641909
Energy: 0.9192649381794663
Energy: 0.9332878196425536
Energy: 0.9192649381801107
Energy: 1.0039359392165792
Energy: 1.0218401617109936
Energy: 1.0039359392165792
Energy: 1.021840161711638
Energy: 1.0039359392165792
Energy: 1.021840161711638
Energy: 1.0039359392159346
Energy: 1.097442185393253
Energy: 1.0537940293208974
Energy: 1.097442185393253
Energy: 1.0537940293208974
Energy: 1.097442185393253
Energy: 1.0537940293208974
Energy: 1.0974421853926084
Energy: 1.0061338608885724
Energy: 0.9680607875950227
Energy: 1.0061338608885724
Energy: 0.9680607875950227
Energy: 1.0061338608885724
Energy: 0.9680607875950227
Energy: 1.006133860887928
Energy: 0.9114462258388161
Energy: 0.9127675678292814
Energy: 0.9114462258381715
Energy: 0.9127675678299257
Energy: 0.9114462258381715
Energy: 0.9127675678292814
Energy: 0.9114462258381715
Energy: 1.0710652829757488
Energy: 1.0183324732298542
Energy: 1.0710652829744596
Energy: 1.0183324732298542
Energy: 1.0710652829757488
Energy: 1.0183324732298542
Energy: 1.0710652829744596
Energy: 1.0321959042557884
Energy: 1.0175148724322693
Energy: 1.0321959042557884
Energy: 1.017514872432914
Energy: 1.0321959042557884
Energy: 1.0175148724322693
Energy: 1.0321959042557884
Energy: 0.911807768671224
Energy: 0.9102383388484804
Energy: 0.911807768671224
Energy: 0.910238338849125
Energy: 0.911807768671224
Energy: 0.910238338849125
Energy: 0.911807768669935
Energy: 0.9172949207770716
Energy: 1.0579308671182284
Energy: 0.9172949207770716
Energy: 1.0579308671175838
Energy: 0.9172949207777161
Energy: 1.0579308671182284
Energy: 0.9172949207777161
Energy: 1.0835848860081456
Energy: 1.0470435376053502
Energy: 1.08358488600879
Energy: 1.0470435376059948
Energy: 1.0835848860081456
Energy: 1.0470435376053502
Energy: 1.08358488600879
Energy: 1.0394266776147403
Energy: 1.0338307462879834
Energy: 1.0394266776134509
Energy: 1.0338307462873388
Energy: 1.039426677612162
Energy: 1.0338307462879834
Energy: 1.0394266776134509
Energy: 0.9297964055237938
Energy: 0.9375533887891978
Energy: 0.9297964055237938
Energy: 0.9375533887891978
Energy: 0.9297964055237938
Energy: 0.9375533887891978
Energy: 0.9297964055237938
Energy: 1.000266434288079
Energy: 1.0710517401261759
Energy: 1.000266434288079
Energy: 1.0710517401261759
Energy: 1.000266434288079
Energy: 1.0710517401261759
Energy: 1.000266434288079
Energy: 1.0519951365465012
Energy: 1.0278542011774785
Energy: 1.0519951365458569
Energy: 1.027854201178123
Energy: 1.0519951365465012
Energy: 1.0278542011774785
Energy: 1.0519951365458569
Energy: 1.0174767555445616
Energy: 1.0711892825372196
Energy: 1.0174767555445616
Energy: 1.071189282536575
Energy: 1.017476755545206
Energy: 1.0711892825372196
Energy: 1.0174767555445616
Energy: 0.9297728876193324
Energy: 0.9375452542814773
Energy: 0.929772887619977
Energy: 0.9375452542821218
Energy: 0.9297728876193324
Energy: 0.9375452542814773
Energy: 0.929772887619977
Energy: 1.0395729025574802
Energy: 1.034424542814756
Energy: 1.0395729025568359
Energy: 1.034424542814756
Energy: 1.0395729025555465
Energy: 1.034424542814756
Energy: 1.0395729025574802
Energy: 1.0747657664110888
Energy: 1.0471185840471486
Energy: 1.0747657664110888
Energy: 1.047118584046504
Energy: 1.0747657664117334
Energy: 1.0471185840471486
Energy: 1.0747657664117334
Energy: 0.917509572603625
Energy: 1.0577622499799741
Energy: 0.917509572603625
Energy: 1.0577622499793295
Energy: 0.917509572603625
Energy: 1.0577622499799741
Energy: 0.9175095726029804
Energy: 0.911864133902982
Energy: 0.9104278463359804
Energy: 0.9118641339042712
Energy: 0.9104278463366251
Energy: 0.9118641339036266
Energy: 0.9104278463366251
Energy: 0.9118641339042712
Energy: 1.0322956639777694
Energy: 1.0287084027462416
Energy: 1.0322956639777694
Energy: 1.0287084027455973
Energy: 1.0322956639777694
Energy: 1.0287084027462416
Energy: 1.0322956639777694
Energy: 1.050688971715858
Energy: 1.0183126701482152
Energy: 1.050688971715858
Energy: 1.0183126701488596
Energy: 1.050688971715858
Energy: 1.0183126701482152
Energy: 1.050688971715858
Energy: 0.9116625371338027
Energy: 0.911473924477651
Energy: 0.9116625371344473
Energy: 0.9114739244782956
Energy: 0.9116625371338027
Energy: 0.9114739244770064
Energy: 0.9116625371344473

minimum gb energy = 0.9078302913859864 eV
minimum distance =  2.36568609381704 Angstroms
sigma value = 39


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

Energy: 1.0306399288945058
Energy: 1.0470397505409452
Energy: 1.0306399288960275
Energy: 1.0470397505409452
Energy: 1.0306399288945058
Energy: 1.0470397505409452
Energy: 1.0306399288952666
Energy: 1.066291135740992
Energy: 0.8903312892894479
Energy: 1.066291135741753
Energy: 0.8903312892886872
Energy: 1.066291135741753
Energy: 0.8903312892886872
Energy: 1.066291135740992
Energy: 0.9363109556339414
Energy: 0.9809033132792997
Energy: 0.9363109556339414
Energy: 0.9809033132800604
Energy: 0.9363109556347021
Energy: 0.9809033132792997
Energy: 0.9363109556339414
Energy: 1.1077000648641482
Energy: 0.9110241711990544
Energy: 1.1077000648649091
Energy: 0.9110241712005758
Energy: 1.1077000648641482
Energy: 0.9110241712005758
Energy: 1.1077000648641482
Energy: 0.963745005315275
Energy: 0.881409682156502
Energy: 0.9637450053160357
Energy: 0.8814096821557411
Energy: 0.963745005315275
Energy: 0.881409682156502
Energy: 0.9637450053145142
Energy: 0.9650814919781135
Energy: 0.9560816054317316
Energy: 0.9650814919743099
Energy: 0.9560816054324923
Energy: 0.9650814919750705
Energy: 0.9560816054324923
Energy: 0.9650814919781135
Energy: 1.078705939737068
Energy: 0.97264695912899
Energy: 1.0647313662089435
Energy: 0.9726469591297507
Energy: 1.064731366210465
Energy: 0.9726469591305114
Energy: 1.0647313662089435
Energy: 1.0226916569692313
Energy: 0.9474808990465209
Energy: 1.0226916569699922
Energy: 0.9474808990320672
Energy: 1.0226916569692313
Energy: 0.9474808990579316
Energy: 1.0226916569707525
Energy: 1.0921041889409249
Energy: 0.9622642393302057
Energy: 1.092104188940164
Energy: 0.9622642393317271
Energy: 1.0921041889409249
Energy: 0.9622642393317271
Energy: 1.092104188940164
Energy: 0.9539592276090104
Energy: 1.042379907672192
Energy: 0.9539592276097711
Energy: 1.042379907671431
Energy: 0.9539592276090104
Energy: 1.042379907671431
Energy: 0.9539592276090104
Energy: 1.0649923757900852
Energy: 1.009276281852913
Energy: 1.0649923757900852
Energy: 1.0092762818544347
Energy: 1.0649923757900852
Energy: 1.009276281852913
Energy: 1.0649923757916067
Energy: 0.9361662457917322
Energy: 0.911576852830201
Energy: 0.9361662457909717
Energy: 0.911576852830201
Energy: 0.9361662457909717
Energy: 0.9115768528294402
Energy: 0.9361662457902109
Energy: 0.9681699312251371
Energy: 0.9113254396232175
Energy: 0.9681699312266586
Energy: 0.9113254396224567
Energy: 0.9681699312266586
Energy: 0.9113254396224567
Energy: 0.9681699312266586
Energy: 0.9537434681797486
Energy: 0.8911546048154148
Energy: 0.9537434681797486
Energy: 0.8911546048154148
Energy: 0.9537434681805091
Energy: 0.8911546048146541
Energy: 0.9537434681812699
Energy: 1.061615714805941
Energy: 0.9635298597670798
Energy: 1.061615714805941
Energy: 0.9635298597670798
Energy: 1.0616157148051804
Energy: 0.9635298597663191
Energy: 1.0616157148051804
Energy: 0.9539235725637202
Energy: 0.958648641793499
Energy: 0.9539235725637202
Energy: 0.958648641793499
Energy: 0.9539235725637202
Energy: 0.9586486417927382
Energy: 0.9539235725629593
Energy: 1.0707044186936554
Energy: 0.965617618118149
Energy: 1.070704418692134
Energy: 0.9656176181173884
Energy: 1.070704418692134
Energy: 0.965617618118149
Energy: 1.0707044186936554
Energy: 1.0225447620560983
Energy: 0.9822918196800887
Energy: 1.0225447620560983
Energy: 0.9822918196800887
Energy: 1.0225447620560983
Energy: 0.982291819679328
Energy: 1.0225447620560983
Energy: 1.0648779177436274
Energy: 1.0202637093471925
Energy: 1.0648779177428664
Energy: 1.0202637093281743
Energy: 1.0648779177428664
Energy: 1.0202637093913143
Energy: 1.0648779177436274
Energy: 0.9540364305789315
Energy: 1.0352497415872242
Energy: 0.9540364305789315
Energy: 1.0352497415864632
Energy: 0.9540364305789315
Energy: 1.0352497415872242
Energy: 0.9540364305789315
Energy: 1.0544005779033618
Energy: 0.8911830672399089
Energy: 1.0544005779033618
Energy: 0.8911830672399089
Energy: 1.0544005779026013
Energy: 0.8911830672406698
Energy: 1.0544005779033618
Energy: 0.9361366284362259
Energy: 0.9111996256178609
Energy: 0.9361366284362259
Energy: 0.9111996256178609
Energy: 0.9361366284362259
Energy: 0.9111996256178609
Energy: 0.9361366284362259
Energy: 1.1328930422243324
Energy: 0.8913500623587148
Energy: 1.1328930422250933
Energy: 0.8913500623587148
Energy: 1.1328930422243324
Energy: 0.8913500623594756
Energy: 1.1328930422250933
Energy: 1.0560499786393047
Energy: 0.8836921273780738
Energy: 1.0560499786393047
Energy: 0.8836921273780738
Energy: 1.0560499786393047
Energy: 0.8836921273780738
Energy: 1.056049978638544
Energy: 1.0389556898685846
Energy: 0.9460214026157024
Energy: 1.0389556898769523
Energy: 0.9460214026149417
Energy: 1.038955689872388
Energy: 0.9460214026157024
Energy: 1.0389556898701058
Energy: 1.067534723952255
Energy: 0.9653481095548925
Energy: 1.0675347239530157
Energy: 0.9653481095548925
Energy: 1.0675347239514943
Energy: 0.9653481095556532
Energy: 1.0675347239514943
Energy: 1.061584081961867
Energy: 1.0240706141996054
Energy: 1.0615840819626274
Energy: 1.0240706141988447
Energy: 1.0615840819626274
Energy: 1.0240706141996054
Energy: 1.0615840819626274
Energy: 1.0665738052815714
Energy: 0.9594710251359087
Energy: 1.0665738052823321
Energy: 0.9594710251366694
Energy: 1.0665738052823321
Energy: 0.9594710251359087
Energy: 1.0665738052815714
Energy: 1.0306399288945058
Energy: 1.0470397505401847
Energy: 1.0306399288952666
Energy: 1.0470397505409452
Energy: 1.0306399288945058
Energy: 1.0470397505409452
Energy: 1.0306399288952666
Energy: 1.066291135740992
Energy: 0.8903312892909694
Energy: 1.066291135740992
Energy: 0.8903312892886872
Energy: 1.066291135741753
Energy: 0.8903312892894479
Energy: 1.0662911357402314

minimum gb energy = 0.8814096821557411 eV
minimum distance =  2.31573981777019 Angstroms
sigma value = 21


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

Energy: 0.9407540825506094
Energy: 0.9608437479909033
Energy: 0.940754082549686
Energy: 0.9608437479899798
Energy: 0.9407540825515328
Energy: 0.9608437479899798
Energy: 0.940754082549686
Energy: 0.9034781399090939
Energy: 0.8700289385544944
Energy: 0.9034781399100174
Energy: 0.8700289385544944
Energy: 0.9034781399090939
Energy: 0.8700289385544944
Energy: 0.9034781399100174
Energy: 0.8689400718887934
Energy: 0.7975497025718694
Energy: 0.8689400718897168
Energy: 0.7975497025727929
Energy: 0.8689400718887934
Energy: 0.7975497025737164
Energy: 0.8689400718887934
Energy: 0.8524841276981188
Energy: 0.8680031419618431
Energy: 0.8524841276981188
Energy: 0.8680031419618431
Energy: 0.8524841276971951
Energy: 0.8680031419609198
Energy: 0.8524841276981188
Energy: 0.8076074444355372
Energy: 0.8180492018247181
Energy: 0.8076074444346136
Energy: 0.8180492018247181
Energy: 0.8076074444346136
Energy: 0.8180492018247181
Energy: 0.8076074444346136
Energy: 0.8311162321290618
Energy: 0.8722792873117755
Energy: 0.8311162321290618
Energy: 0.8722792873117755
Energy: 0.8311162321290618
Energy: 0.8722792873117755
Energy: 0.8311162321290618
Energy: 0.7858718572293859
Energy: 1.0318798152432223
Energy: 0.7858718572293859
Energy: 1.0318798152432223
Energy: 0.7858718572293859
Energy: 1.0318798152422988
Energy: 0.7858718572293859
Energy: 0.7842661240696561
Energy: 0.8850314993371637
Energy: 0.7842661240696561
Energy: 0.8850314993371637
Energy: 0.7842661240696561
Energy: 0.8850314993371637
Energy: 0.7842661240696561
Energy: 0.8515168962257759
Energy: 0.8258272200310324
Energy: 0.8515168962257759
Energy: 0.8258272200310324
Energy: 0.8515168962266993
Energy: 0.825827220030109
Energy: 0.8515168962257759
Energy: 0.8493850100959334
Energy: 1.0322174939254212
Energy: 0.84938501009501
Energy: 1.0322174939263444
Energy: 0.8493850100959334
Energy: 1.0322174939263444
Energy: 0.8493850100959334
Energy: 0.7865586637589476
Energy: 0.8814557449134914
Energy: 0.7865586637589476
Energy: 0.8814557449134914
Energy: 0.7865586637580242
Energy: 0.8814557449125678
Energy: 0.7865586637589476
Energy: 0.7843397042285843
Energy: 0.8692578500684071
Energy: 0.7843397042285843
Energy: 0.8692578500684071
Energy: 0.7843397042285843
Energy: 0.8692578500684071
Energy: 0.7843397042285843
Energy: 0.8819102400647378
Energy: 0.825650670130795
Energy: 0.8819102400638142
Energy: 0.8256506701317187
Energy: 0.8819102400647378
Energy: 0.825650670130795
Energy: 0.8819102400638142
Energy: 0.808505105088283
Energy: 1.2528583985765962
Energy: 0.808505105088283
Energy: 1.2528583985765962
Energy: 0.808505105088283
Energy: 1.2528583985765962
Energy: 0.808505105088283
Energy: 0.8974298417639499
Energy: 0.8770741423572711
Energy: 0.8974298417648735
Energy: 0.8770741423581945
Energy: 0.8974298417648735
Energy: 0.8770741423572711
Energy: 0.8974298417648735
Energy: 0.8856678187608568
Energy: 0.8629867870988427
Energy: 0.8856678187617801
Energy: 0.8629867870988427
Energy: 0.8856678187608568
Energy: 0.8629867870988427
Energy: 0.8856678187617801
Energy: 0.9269718132298331
Energy: 0.8623080264202607
Energy: 0.9269718132307566
Energy: 0.8623080264202607
Energy: 0.9269718132298331
Energy: 0.8623080264202607
Energy: 0.9269718132298331
Energy: 0.8884996703285425
Energy: 1.2527138807616878
Energy: 0.8884996703285425
Energy: 1.2527138807626113
Energy: 0.8884996703285425
Energy: 1.2527138807616878
Energy: 0.8884996703276191
Energy: 0.8085943088031619
Energy: 0.876937262147122
Energy: 0.8085943088031619
Energy: 0.8769372621461983
Energy: 0.8085943088031619
Energy: 0.8769372621461983
Energy: 0.8085943088031619
Energy: 0.7840139907706557
Energy: 0.8176433310161422
Energy: 0.7840139907715792
Energy: 0.8176433310161422
Energy: 0.7840139907706557
Energy: 0.8176433310161422
Energy: 0.7840139907715792
Energy: 0.8447177510820385
Energy: 0.9089978486003394
Energy: 0.8447177510820385
Energy: 0.9089978486012631
Energy: 0.8447177510820385
Energy: 0.9089978486003394
Energy: 0.8447177510820385
Energy: 0.7870153525960386
Energy: 0.9610861124070926
Energy: 0.7870153525960386
Energy: 0.9610861124070926
Energy: 0.7870153525960386
Energy: 0.9610861124070926
Energy: 0.7870153525960386
Energy: 0.8022977996823238
Energy: 0.8821689696805667
Energy: 0.8022977996823238
Energy: 0.8821689696805667
Energy: 0.8022977996823238
Energy: 0.8821689696805667
Energy: 0.8022977996823238
Energy: 0.8339940102787446
Energy: 0.8180714223325579
Energy: 0.8339940102787446
Energy: 0.8180714223316344
Energy: 0.8339940102787446
Energy: 0.8180714223316344
Energy: 0.8339940102787446
Energy: 0.8416896692849802
Energy: 0.8842202655988244
Energy: 0.8416896692859037
Energy: 0.8842202655988244
Energy: 0.8416896692859037
Energy: 0.8842202655988244
Energy: 0.8416896692849802

minimum gb energy = 0.7840139907706557 eV
minimum distance =  2.34001472212635 Angstroms
sigma value = 113


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

Energy: 0.8209206809715427
Energy: 1.0383066188869645
Energy: 0.8209206809715427
Energy: 1.0383066188864494
Energy: 0.8209206809710272
Energy: 1.0383066188879957
Energy: 0.8209206809710272
Energy: 0.8365940615178421
Energy: 0.7828410436683669
Energy: 0.8365940615183575
Energy: 0.782841043669913
Energy: 0.8365940615183575
Energy: 0.7828410436688823
Energy: 0.836594061518873
Energy: 0.8557898734944254
Energy: 0.7765190762360552
Energy: 0.8557898734928792
Energy: 0.7765190762360552
Energy: 0.8557898734939098
Energy: 0.7765190762365707
Energy: 0.8557898734928792
Energy: 0.769867437593899
Energy: 0.7704950420563165
Energy: 0.769867437593899
Energy: 0.7704950420568318
Energy: 0.7698674375944143
Energy: 0.7704950420563165
Energy: 0.769867437593899
Energy: 0.7533772967948524
Energy: 0.96358888285608
Energy: 0.7533772967943371
Energy: 0.9635888828565954
Energy: 0.7533772967943371
Energy: 0.96358888285608
Energy: 0.7533772967943371
Energy: 0.8048138548105744
Energy: 0.7729182174064346
Energy: 0.804813854810059
Energy: 0.7729182174064346
Energy: 0.8048138548105744
Energy: 0.7729182174069501
Energy: 0.804813854810059
Energy: 0.7665245656645988
Energy: 0.7131101510818095
Energy: 0.7665245656640834
Energy: 0.7131101510807788
Energy: 0.7665245656645988
Energy: 0.7131101510812942
Energy: 0.7665245656640834
Energy: 0.7925871371737113
Energy: 0.7142160967928991
Energy: 0.792587137175773
Energy: 0.7142160967918683
Energy: 0.7925871371742267
Energy: 0.7142160967928991
Energy: 0.7925871371752574
Energy: 0.7451986963725447
Energy: 0.9085950972919589
Energy: 0.7451986963740909
Energy: 0.9085950972935052
Energy: 0.74519869637306
Energy: 0.9085950972929897
Energy: 0.7451986963740909
Energy: 0.8340306891924353
Energy: 0.731326193220853
Energy: 0.8340306891919198
Energy: 0.7313261932213683
Energy: 0.8340306891929505
Energy: 0.7313261932203375
Energy: 0.8340306891919198
Energy: 0.7290390895303728
Energy: 0.6974202554832538
Energy: 0.7290390895298574
Energy: 0.697420255482223
Energy: 0.7290390895314035
Energy: 0.6974202554827384
Energy: 0.7290390895308883
Energy: 0.7480946402992121
Energy: 0.7882564849515169
Energy: 0.7480946402986968
Energy: 0.7882564849525477
Energy: 0.7480946402986968
Energy: 0.7882564849520323
Energy: 0.7480946402992121
Energy: 0.7032275407679965
Energy: 0.9225455306533986
Energy: 0.7032275407654195
Energy: 0.9225455306549447
Energy: 0.7032275407664503
Energy: 0.9225455306539139
Energy: 0.7032275407674811
Energy: 0.7548554717319683
Energy: 0.731245981831526
Energy: 0.7548554717304222
Energy: 0.7312459818320414
Energy: 0.7548554717319683
Energy: 0.7312459818310106
Energy: 0.7548554717304222
Energy: 0.7844783407836339
Energy: 0.695396753219302
Energy: 0.7844783407826033
Energy: 0.6953967532182713
Energy: 0.7844783407836339
Energy: 0.695396753219302
Energy: 0.7844783407831186
Energy: 0.7278317105676033
Energy: 0.9226238783108975
Energy: 0.7278317105655417
Energy: 0.922623878311413
Energy: 0.7278317105676033
Energy: 0.9226238783098667
Energy: 0.7278317105650263
Energy: 0.7098592091751235
Energy: 0.7179493841413506
Energy: 0.7098592091746081
Energy: 0.7179493841423814
Energy: 0.7098592091746081
Energy: 0.7179493841413506
Energy: 0.7098592091746081
Energy: 0.7356501888129079
Energy: 0.7369969468712505
Energy: 0.7356501888139388
Energy: 0.7369969468702198
Energy: 0.7356501888129079
Energy: 0.7369969468712505
Energy: 0.7356501888134233
Energy: 0.7678077278889117
Energy: 0.6956785765141672
Energy: 0.7678077278894271
Energy: 0.695678576515198
Energy: 0.7678077278889117
Energy: 0.6956785765141672
Energy: 0.7678077278889117
Energy: 0.7352194938604707
Energy: 0.9162291584395503
Energy: 0.7352194938620168
Energy: 0.9162291584395503
Energy: 0.735219493860986
Energy: 0.9162291584400659
Energy: 0.7352194938625323
Energy: 0.7531675258648808
Energy: 0.7095901542974595
Energy: 0.7531675258664269
Energy: 0.7095901542964287
Energy: 0.7531675258659115
Energy: 0.709590154296944
Energy: 0.7531675258679731
Energy: 0.7605387936135246
Energy: 0.6946504956450041
Energy: 0.7605387936114629
Energy: 0.6946504956444888
Energy: 0.7605387936135246
Energy: 0.6946504956450041
Energy: 0.7605387936109477
Energy: 0.7684948226010597
Energy: 0.7445032705017025
Energy: 0.7684948226020907
Energy: 0.744503270499641
Energy: 0.7684948226010597
Energy: 0.7445032705027335
Energy: 0.768494822602606
Energy: 0.7519140668446276
Energy: 0.9628257541858398
Energy: 0.7519140668420505
Energy: 0.9628257541868707
Energy: 0.7519140668435967
Energy: 0.9628257541863554
Energy: 0.7519140668425659
Energy: 0.8477858359596556
Energy: 0.772193213344145
Energy: 0.8477858359606865
Energy: 0.7721932133420835
Energy: 0.8477858359596556
Energy: 0.7721932133425988
Energy: 0.8477858359606865
Energy: 0.8371923398149372
Energy: 0.7633542311687418
Energy: 0.8371923398139065
Energy: 0.763354231170288
Energy: 0.8371923398149372
Energy: 0.7633542311682264
Energy: 0.8371923398139065
Energy: 0.8326320659434875
Energy: 0.8815438122786953
Energy: 0.8326320659434875
Energy: 0.8815438122776647
Energy: 0.8326320659440027
Energy: 0.8815438122792109
Energy: 0.8326320659434875
Energy: 0.8107870867301568
Energy: 0.869781805306513
Energy: 0.8107870867286104
Energy: 0.8697818053075439
Energy: 0.8107870867296413
Energy: 0.869781805306513
Energy: 0.8107870867296413
Energy: 0.8173633537361125
Energy: 0.768529685204465
Energy: 0.8173633537361125
Energy: 0.7685296852049803
Energy: 0.8173633537361125
Energy: 0.7685296852039495
Energy: 0.817363353735597
Energy: 0.840721146163232
Energy: 0.7633307674030808
Energy: 0.8407211461637474
Energy: 0.7633307674035962
Energy: 0.8407211461637474
Energy: 0.7633307674025653
Energy: 0.840721146163232
Energy: 0.7855658435169325
Energy: 0.7746543702423707
Energy: 0.7855658435184787
Energy: 0.7746543702423707
Energy: 0.785565843517448
Energy: 0.7746543702423707
Energy: 0.7855658435179633
Energy: 0.7524991662818677
Energy: 0.9411947961647265
Energy: 0.7524991662813524
Energy: 0.9411947961636957
Energy: 0.752499166280837
Energy: 0.9411947961652418
Energy: 0.752499166280837
Energy: 0.748395365751744
Energy: 0.7818654813240687
Energy: 0.7483953657522594
Energy: 0.7818654813235534
Energy: 0.748395365751744
Energy: 0.7818654813235534
Energy: 0.748395365751744
Energy: 0.7462542883892783
Energy: 0.693745706749043
Energy: 0.746254288386186
Energy: 0.6937457067474967
Energy: 0.7462542883851552
Energy: 0.6937457067495584
Energy: 0.7462542883872169
Energy: 0.7774286704123455
Energy: 0.7545172889277147
Energy: 0.7774286704133764
Energy: 0.7545172889282301
Energy: 0.7774286704133764
Energy: 0.7545172889266839
Energy: 0.7774286704133764
Energy: 0.74536000224974
Energy: 0.888896430996258
Energy: 0.74536000224974
Energy: 0.8888964309957427
Energy: 0.7453600022502553
Energy: 0.888896430996258
Energy: 0.7453600022492246
Energy: 0.7390180228113388
Energy: 0.7377445162915308
Energy: 0.7390180228097926
Energy: 0.7377445162899847
Energy: 0.7390180228108234
Energy: 0.7377445162910155
Energy: 0.7390180228118541
Energy: 0.7227933343780959
Energy: 0.7018856519539176
Energy: 0.7227933343786113
Energy: 0.7018856519564945
Energy: 0.7227933343780959
Energy: 0.7018856519544331
Energy: 0.7227933343791267
Energy: 0.7489103770718444
Energy: 0.7240851244593015
Energy: 0.7489103770744214
Energy: 0.7240851244613631
Energy: 0.7489103770718444
Energy: 0.7240851244593015
Energy: 0.7489103770739058
Energy: 0.7320199108470824
Energy: 0.9202813345210129
Energy: 0.7320199108470824
Energy: 0.9202813345204977
Energy: 0.7320199108470824
Energy: 0.9202813345199823
Energy: 0.7320199108470824
Energy: 0.7354863276726361
Energy: 0.7386367439260092
Energy: 0.7354863276736668
Energy: 0.7386367439260092
Energy: 0.7354863276726361
Energy: 0.7386367439260092
Energy: 0.7354863276736668
Energy: 0.7440975890225486
Energy: 0.6994876568170405
Energy: 0.7440975890240948
Energy: 0.6994876568180711
Energy: 0.744097589023064
Energy: 0.6994876568170405
Energy: 0.7440975890246102
Energy: 0.7263544732211893
Energy: 0.9116018728383924
Energy: 0.7263544732201584
Energy: 0.9116018728368462
Energy: 0.7263544732206738
Energy: 0.911601872837877
Energy: 0.7263544732196899
Energy: 0.7222912696079901
Energy: 0.7137378991125298
Energy: 0.722291269605413
Energy: 0.7137378991109836
Energy: 0.7222912696079901
Energy: 0.7137378991130453
Energy: 0.722291269605413
Energy: 0.735294470411734
Energy: 0.7363393031608658
Energy: 0.7352944704127649
Energy: 0.7363393031618966
Energy: 0.735294470411734
Energy: 0.7363393031608658
Energy: 0.7352944704122494

minimum gb energy = 0.6937457067474967 eV
minimum distance =  2.33396656974202 Angstroms
sigma value = 365


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

Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.8757552450262938
Energy: 0.8478489969121904
Energy: 1.6380831530025735
Energy: 0.8478489969121904
Energy: 1.638083028420735
Energy: 0.8478489969121904
Energy: 1.6380831329956689
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 2.1127907091788938
Energy: 0.8478489969121904
Energy: 2.0689810040261345
Energy: 0.8478489969110283
Energy: 1.8757552450297794
Energy: 0.8478489969121904
Energy: 1.6380830451011184
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.55291480635873
Energy: 0.8478489969121904
Energy: 1.8757552450286175
Energy: 0.8478489969121904
Energy: 1.8757552450332655
Energy: 0.8478489969121904
Energy: 1.8757552450297794
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.6380830162667657
Energy: 0.8478489969121904
Energy: 1.6380830513836881
Energy: 0.8478489969110283
Energy: 1.6380830091920409
Energy: 0.8478489969110283
Energy: 1.63808307372871
Energy: 0.26552936003853594
Energy: 0.27721291973765566
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.8757552450286175
Energy: 0.8478489969110283
Energy: 1.552914806351758
Energy: 0.8478489969110283
Energy: 1.8757552450297794
Energy: 0.8478489969110283
Energy: 1.6380833201535574
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.6380832379445882
Energy: 0.8478489969110283
Energy: 1.6380830624214842
Energy: 0.8478489969121904
Energy: 1.6380831082498066
Energy: 0.8478489969110283
Energy: 1.6380830450987942
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.638083010560294
Energy: 0.8478489969110283
Energy: 1.638083009230361
Energy: 0.8478489969110283
Energy: 1.6380830147091827
Energy: 0.8478489969110283
Energy: 1.6380830101572574
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 1.6380832569189057
Energy: 0.8478489969121904
Energy: 1.6380832193210166
Energy: 0.8478489969110283
Energy: 1.6380831222552181
Energy: 0.8478489969121904
Energy: 1.6380832289220004
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.6380832163823984
Energy: 0.8478489969121904
Energy: 1.638083158855407
Energy: 0.8478489969121904
Energy: 1.6380830213100144
Energy: 0.8478489969121904
Energy: 1.6380831690069508
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 0.27721291973881773
Energy: 0.2655293600373739
Energy: 0.27721291973881773
Energy: 0.26552936003853594
Energy: 1.6380830095103025
Energy: 0.8478489969121904
Energy: 1.6380830091618284
Energy: 0.8478489969121904
Energy: 1.6380830092291991
Energy: 0.8478489969121904
Energy: 1.6380830160112267

minimum gb energy = 0.2655293600373739 eV
minimum distance =  2.32091198415396 Angstroms
sigma value = 23