Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645777106285
cohesive_energy=4.290547094651004
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: 0.013215325911262248
Energy: 0.013577205000035415
Energy: 3.1975769756513124
Energy: 0.013577205000035415
Energy: 0.013577205000035415
Energy: 0.014136542131723922
Energy: 0.5545919119465474
Energy: 0.014136542131723922
Energy: 3.1975769756513124
Energy: 0.5545919119455479
Energy: 0.5542282552064933
Energy: 0.5545919119465474
Energy: 0.013577205000035415
Energy: 0.014136542131723922
Energy: 0.5545919119455479
Energy: 0.014136542131723922

minimum gb energy = 0.013215325911262248 eV
minimum distance =  2.4754535650016 Angstroms
sigma value = 1


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

Energy: 1.4473477980177858
Energy: 1.237577620880936
Energy: 2.520236466980487
Energy: 1.237577620882148
Energy: 1.4406064554917477
Energy: 0.892406846960516
Energy: 0.9367225762097873
Energy: 0.892406846960516
Energy: 1.6621087262811938
Energy: 0.9351569733638468
Energy: 0.9145050486225319
Energy: 0.9351569733638468
Energy: 1.253976213340692
Energy: 0.8933288816396818
Energy: 0.93614983654691
Energy: 0.8933288816396818
Energy: 1.2504608446598227
Energy: 0.8933704896462051
Energy: 1.304485110617811
Energy: 0.8933704896462051
Energy: 1.4558988429870199
Energy: 0.8982357338719048
Energy: 0.8981923428218802
Energy: 0.8982357338706926
Energy: 1.0829106910972914
Energy: 0.8982432152713292
Energy: 0.8982171287280548
Energy: 0.8982432152676926
Energy: 0.8945776083470023
Energy: 0.8964044884957331
Energy: 1.2962462695218793
Energy: 0.8964044884945209
Energy: 1.0930139514778299
Energy: 1.056942855141256
Energy: 1.256212236901942
Energy: 1.0569428551400437
Energy: 1.5060697416932707
Energy: 0.8986320068261321
Energy: 1.0911495806696165
Energy: 0.8986320068261321
Energy: 0.9119911390322418
Energy: 0.9592700745056696
Energy: 1.2583567728351441
Energy: 0.9592700745056696
Energy: 0.9122304934486373
Energy: 0.91211100726946
Energy: 1.8988948592481973
Energy: 0.9121110072682478
Energy: 1.1030573791211182
Energy: 0.9593432499907599
Energy: 1.253936447360643
Energy: 0.9593432499907599
Energy: 0.9334893668961903
Energy: 0.9593024752214687
Energy: 1.2535316704201764
Energy: 0.9593024752226809
Energy: 0.9332461174484658
Energy: 0.8971027556170014
Energy: 1.4433392984179612
Energy: 0.8971027556170014
Energy: 0.933359498849467
Energy: 0.8973278489590242
Energy: 1.4434665558679622
Energy: 0.8973278489590242
Energy: 0.9376033968585067
Energy: 1.0535578412668438
Energy: 1.2533147115205217
Energy: 1.0535578412656317
Energy: 1.103285606750544
Energy: 0.9590911879929639
Energy: 1.2530147827814235
Energy: 0.9590911879929639
Energy: 0.9159777416992597
Energy: 0.9121441475563441
Energy: 1.956873626376398
Energy: 0.9121441475563441
Energy: 0.9121030292942429
Energy: 0.9593385525629882
Energy: 1.0871981202087109
Energy: 0.9593385525642003
Energy: 1.507265520315981
Energy: 0.8987767044140779
Energy: 1.0899638832712193
Energy: 0.8987767044140779
Energy: 1.0922509750643286
Energy: 0.893485789625035
Energy: 1.2562340023769276
Energy: 0.8934857896262474
Energy: 1.0951266569614473
Energy: 0.8963798155757894
Energy: 1.0968976639495245
Energy: 0.8963798155745772
Energy: 1.271352530718775
Energy: 0.8984240670101299
Energy: 0.8982000672784198
Energy: 0.8984240670101299
Energy: 1.4551102091230268
Energy: 0.8982500639172237
Energy: 0.8982407691157488
Energy: 0.898250063918436
Energy: 1.2503707475013983
Energy: 0.8935458310458916
Energy: 1.304505568763676
Energy: 0.8935458310471038
Energy: 1.2515018182168287
Energy: 0.8933441313606713
Energy: 0.9351952928415497
Energy: 0.8933441313606713
Energy: 1.6635343525957995
Energy: 0.9351256643402539
Energy: 0.9151071935256809
Energy: 0.9351256643402539
Energy: 1.4409526180223673
Energy: 0.8923563500442618
Energy: 0.9366618251267742
Energy: 0.8923563500442618
Energy: 1.2642520728558895
Energy: 0.8975214952224398
Energy: 0.9351909370539964
Energy: 0.8975214952212276
Energy: 1.442448008198093
Energy: 0.8923730029523654
Energy: 0.9242982221262949
Energy: 0.8923730029523654
Energy: 1.4546754817493206
Energy: 0.9105306894024733
Energy: 0.9151299050447778
Energy: 0.9105306894012613
Energy: 1.250402620113621
Energy: 0.8934753834464491
Energy: 0.9785602961038905
Energy: 0.8934753834464491

minimum gb energy = 0.8923563500442618 eV
minimum distance =  2.34799698707106 Angstroms
sigma value = 1


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

Energy: 1.57979921527121
Energy: 0.9408937480985095
Energy: 2.5930886780700098
Energy: 0.9408937480985095
Energy: 1.3236014273709704
Energy: 0.920712242635231
Energy: 1.023041523408439
Energy: 0.9207122426338489
Energy: 1.3514079208572718
Energy: 0.965371732863474
Energy: 0.9655768222875639
Energy: 0.965371732863474
Energy: 0.9193607321607783
Energy: 0.9436339419428792
Energy: 1.023132469320079
Energy: 0.9436339419428792
Energy: 0.9194069162093093
Energy: 0.9450153334416787
Energy: 1.4359669489384368
Energy: 0.9450153334416787
Energy: 1.3513157223724046
Energy: 0.9437177061354423
Energy: 0.9437384171173853
Energy: 0.9437177061354423
Energy: 0.9679092312365087
Energy: 0.9940187751258042
Energy: 0.9435885062107914
Energy: 0.9940187751258042
Energy: 0.9437576247301656
Energy: 0.9435795898765446
Energy: 1.4352746491400787
Energy: 0.9435795898765446
Energy: 0.9662003858959252
Energy: 0.9196618308260655
Energy: 1.3538693277427176
Energy: 0.9196618308260655
Energy: 1.0228886722823964
Energy: 0.9193739094146914
Energy: 0.919323295378641
Energy: 0.9193739094146914
Energy: 0.9450492894108049
Energy: 1.112192972328279
Energy: 1.3545285214288818
Energy: 1.112192972328279
Energy: 0.9443997398293545
Energy: 0.9439908982306413
Energy: 1.814878375088655
Energy: 0.9439908982320234
Energy: 1.0233028093104886
Energy: 0.9199472238399816
Energy: 1.3224773437031505
Energy: 0.9199472238399816
Energy: 1.0233028093118706
Energy: 0.9195073979295156
Energy: 1.3224670866269381
Energy: 0.9195073979281335
Energy: 0.9444903231909978
Energy: 0.9439635060245476
Energy: 1.8148376938386515
Energy: 0.9439635060245476
Energy: 0.9450930194457324
Energy: 1.1122373175534408
Energy: 1.3544966449151823
Energy: 1.1122373175534408
Energy: 1.0228886722823964
Energy: 0.9193687689188214
Energy: 0.9193290108500095
Energy: 0.9193687689188214
Energy: 0.9660066788582413
Energy: 0.9195769541797432
Energy: 1.3538212842847912
Energy: 0.9195769541797432
Energy: 0.9436589510129666
Energy: 0.9435804617549138
Energy: 1.4352746491386965
Energy: 0.9435804617549138
Energy: 0.9676214701051201
Energy: 0.9940822759964311
Energy: 0.9437426206817957
Energy: 0.9940822759964311
Energy: 1.3513173582129265
Energy: 0.9437617701601415
Energy: 0.9437367291644867
Energy: 0.9437617701601415
Energy: 0.9192998451472053
Energy: 0.9457557104651318
Energy: 1.435966948941201
Energy: 0.9457557104637498
Energy: 0.9193571414532121
Energy: 0.9438116094484836
Energy: 1.023132469321461
Energy: 0.9438116094484836
Energy: 1.351349324283751
Energy: 0.9653804768611489
Energy: 0.9655406231098452
Energy: 0.9653804768625311
Energy: 1.3239256520867164
Energy: 0.9205234344611337
Energy: 1.023041523407057
Energy: 0.9205234344611337
Energy: 1.57979921527121
Energy: 0.9408937480985095
Energy: 2.5930886780713918
Energy: 0.9408937480985095
Energy: 1.3236014273709704
Energy: 0.9207122426338489
Energy: 1.023041523408439
Energy: 0.9207122426338489
Energy: 1.3514079208558896
Energy: 0.965371732863474
Energy: 0.9655768222889461
Energy: 0.965371732863474
Energy: 0.9193607321607783
Energy: 0.9436339419428792
Energy: 1.023132469320079
Energy: 0.9436339419428792

minimum gb energy = 0.9192998451472053 eV
minimum distance =  2.33627418753943 Angstroms
sigma value = 25


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

Energy: 1.3532928805629931
Energy: 1.1114519549001771
Energy: 2.546277921195214
Energy: 1.1114519549017838
Energy: 1.444276546640557
Energy: 0.9934089183969902
Energy: 1.0686691598656974
Energy: 0.9934089183969902
Energy: 1.4608060170298762
Energy: 1.0240878441944266
Energy: 1.0242862280454788
Energy: 1.0240878441944266
Energy: 1.256028850171252
Energy: 0.9888756821367839
Energy: 1.0686923522923144
Energy: 0.9888756821351773
Energy: 1.2551991254041959
Energy: 0.988530530009599
Energy: 1.264075633022127
Energy: 0.988530530009599
Energy: 1.460076296538
Energy: 0.9934140051500566
Energy: 0.9933049211546556
Energy: 0.9934140051516633
Energy: 1.0203863292539235
Energy: 0.9885658260569039
Energy: 0.9932743129462388
Energy: 0.9885658260569039
Energy: 0.9980543679394928
Energy: 1.0198121615989375
Energy: 1.5385349475310497
Energy: 1.0198121615989375
Energy: 1.0735624424514667
Energy: 1.0771972641373269
Energy: 1.2464487757421756
Energy: 1.0771972641389334
Energy: 1.0664634257188825
Energy: 0.9826898073400018
Energy: 1.2462919995596369
Energy: 0.9826898073400018
Energy: 1.0879042889378152
Energy: 0.9885285963184939
Energy: 1.4487525076181478
Energy: 0.9885285963168872
Energy: 1.0530195199715275
Energy: 1.0201011336825692
Energy: 1.4480596067728757
Energy: 1.0201011336825692
Energy: 1.0880050871275415
Energy: 0.9827607403067993
Energy: 1.2464729572107005
Energy: 0.9827607403067993
Energy: 1.0737124985783741
Energy: 1.0772480276144298
Energy: 1.245954071538154
Energy: 1.0772480276144298
Energy: 1.0191354739102374
Energy: 1.0198538174775713
Energy: 1.8027328885124427
Energy: 1.0198538174775713
Energy: 1.019991136333816
Energy: 0.9885457206958161
Energy: 0.9933357229454467
Energy: 0.9885457206958161
Energy: 1.7812781212287925
Energy: 0.9932838972384522
Energy: 0.9932916124322849
Energy: 0.9932838972384522
Energy: 1.2548910123061179
Energy: 0.9885177694650146
Energy: 1.2646948453732474
Energy: 0.9885177694666214
Energy: 1.255002292495916
Energy: 0.9886074925591093
Energy: 1.068722420915027
Energy: 0.9886074925591093
Energy: 1.2352483428145566
Energy: 0.9933195044199054
Energy: 1.0246307231395844
Energy: 0.9933195044215122
Energy: 1.4459783928915833
Energy: 0.9932301546260921
Energy: 1.0248292399261585
Energy: 0.9932301546260921
Energy: 1.2569504533168294
Energy: 0.98271713095457
Energy: 1.0687566476532482
Energy: 0.98271713095457
Energy: 1.4462912708211242
Energy: 1.0697937559048638
Energy: 1.0686122431465312
Energy: 1.0697937559048638
Energy: 1.6109430935727207
Energy: 1.0325780032838021
Energy: 1.0332090635745486
Energy: 1.0325780032821954
Energy: 1.2553495466360476
Energy: 0.9888085693490024
Energy: 1.015613253899927
Energy: 0.9888085693490024

minimum gb energy = 0.9826898073400018 eV
minimum distance =  2.34818765085207 Angstroms
sigma value = 9


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

Energy: 1.001512740408302
Energy: 1.0005358891773897
Energy: 2.668031256770776
Energy: 1.0005358891771936
Energy: 1.0009744442259414
Energy: 1.0427264671539052
Energy: 1.0425444905181727
Energy: 1.0427264671539052
Energy: 1.0938694367511528
Energy: 1.09402565876591
Energy: 1.0940164744458893
Energy: 1.09402565876591
Energy: 1.0426730551873788
Energy: 1.042666937496971
Energy: 1.0426265549559885
Energy: 1.042666937496971
Energy: 1.0429745349374977
Energy: 1.043479202819693
Energy: 1.0939928573203004
Energy: 1.043479202819693
Energy: 1.795116287873109
Energy: 1.0428944987763291
Energy: 1.0426927739478733
Energy: 1.0428944987763291
Energy: 1.0425974060112428
Energy: 1.043355497512079
Energy: 1.042951094945544
Energy: 1.0433554975126451
Energy: 1.042762709060573
Energy: 1.0435063717173716
Energy: 1.5917202297576103
Energy: 1.0435063717173716
Energy: 1.2331399094765874
Energy: 1.0432983161005875
Energy: 1.0006063938130234
Energy: 1.0432983161005875
Energy: 1.2337153778797534
Energy: 1.0006174201837543
Energy: 1.000689062472072
Energy: 1.0006174201837543
Energy: 1.043585691701794
Energy: 1.1435986750583225
Energy: 1.5914878378279789
Energy: 1.1435986750587144
Energy: 1.1332917263807876
Energy: 1.0005422790555158
Energy: 1.0942598463290423
Energy: 1.0005422790555158
Energy: 1.2331064276309653
Energy: 1.042669484452277
Energy: 1.043157968921518
Energy: 1.0426694844526472
Energy: 1.0939925811172309
Energy: 1.0976032214580511
Energy: 1.093998205647616
Energy: 1.0976032214580511
Energy: 1.043157274063141
Energy: 1.0426683671142334
Energy: 1.233106427632316
Energy: 1.0426683671144295
Energy: 1.094071723845808
Energy: 1.0005485809610266
Energy: 1.1332233033053527
Energy: 1.0005485809612227
Energy: 1.5914443088573265
Energy: 1.1435879691784423
Energy: 1.043616407106472
Energy: 1.1435879691782678
Energy: 1.0005811485624527
Energy: 1.0006288298384578
Energy: 1.2337153778778367
Energy: 1.0006288298384578
Energy: 1.0005586240201323
Energy: 1.0432826512917375
Energy: 1.2331399094767839
Energy: 1.0432826512917375
Energy: 1.5916978574347393
Energy: 1.0434105894489116
Energy: 1.0427528021756962
Energy: 1.0434105894487156
Energy: 1.0429291666800917
Energy: 1.043311257298119
Energy: 1.0440114028455323
Energy: 1.043311257298119

minimum gb energy = 1.0005358891771936 eV
minimum distance =  2.32129535508558 Angstroms
sigma value = 25


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

Energy: 1.1449189345980197
Energy: 1.1014725200580593
Energy: 2.489331921705196
Energy: 1.1014725200576017
Energy: 1.4282494724145176
Energy: 1.197201900686451
Energy: 1.1609245429293837
Energy: 1.1972019006862353
Energy: 1.284273147038071
Energy: 1.148406538938807
Energy: 1.1615811424102036
Energy: 1.148406538938807
Energy: 1.1102067297396474
Energy: 1.1887603547066274
Energy: 1.1288867697192375
Energy: 1.1887603547063847
Energy: 1.1896853621902812
Energy: 1.1967988221270263
Energy: 1.4698021949248479
Energy: 1.1967988221270263
Energy: 1.5355558855693485
Energy: 1.1425969695309848
Energy: 1.1424731893859694
Energy: 1.1425969695302574
Energy: 1.242723283777921
Energy: 1.1897627642255706
Energy: 1.1428382132184716
Energy: 1.1897627642253283
Energy: 1.1894547127431365
Energy: 1.220879185838852
Energy: 1.4705431935849056
Energy: 1.2208791858386097
Energy: 1.2214753842043533
Energy: 1.1427463590489115
Energy: 1.142381852321105
Energy: 1.1427463590486961
Energy: 1.2689000861701396
Energy: 1.1433465260402136
Energy: 1.1424134961084356
Energy: 1.1433465260390283
Energy: 1.1887836136567378
Energy: 1.1891617511143076
Energy: 1.5029617882895305
Energy: 1.1891617511140924
Energy: 1.188751797731709
Energy: 1.1435019131262845
Energy: 1.130240870356387
Energy: 1.1435019131265272
Energy: 1.4163096336453225
Energy: 1.148244765420116
Energy: 1.1497002730970798
Energy: 1.148244765420574
Energy: 1.4459965080722383
Energy: 1.1965799131489616
Energy: 1.285654145812679
Energy: 1.1965799131487462
Energy: 1.4462687186334875
Energy: 1.0863651725700765
Energy: 1.2851421928298357
Energy: 1.086365172570319
Energy: 1.42781052388641
Energy: 1.1344198894756536
Energy: 1.1290405735228692
Energy: 1.1344198894758961
Energy: 1.1889001852038539
Energy: 1.1427775151424877
Energy: 1.149290384338531
Energy: 1.1427775151422455

minimum gb energy = 1.0863651725700765 eV
minimum distance =  2.30365283012576 Angstroms
sigma value = 17


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

Energy: 1.5653629724014224
Energy: 1.1633716678844124
Energy: 2.371087603457436
Energy: 1.1633716678844124
Energy: 1.3833028562513556
Energy: 1.2251993790959452
Energy: 1.2688240969314324
Energy: 1.2251993790959452
Energy: 1.38314469465936
Energy: 1.2110936134510726
Energy: 1.1914435192828856
Energy: 1.2110936134510726
Energy: 1.1848363200582877
Energy: 1.1828209798324603
Energy: 1.2342588000977075
Energy: 1.1828209798324603
Energy: 1.2223287157917622
Energy: 1.2248297991668513
Energy: 1.4176572171095987
Energy: 1.2248297991668513
Energy: 1.4109809965418367
Energy: 1.1620542399611493
Energy: 1.207057268754706
Energy: 1.1620542399598066
Energy: 1.3105439309122666
Energy: 1.1839470338687104
Energy: 1.375746771082479
Energy: 1.1839470338687104
Energy: 1.2165301766860808
Energy: 1.1822783855520957
Energy: 1.4642801694062753
Energy: 1.1822783855520957
Energy: 1.1968215545332714
Energy: 1.2274240556254634
Energy: 1.1682463952258182
Energy: 1.227424055624121
Energy: 1.4099636579503398
Energy: 1.1639004399114588
Energy: 1.2299851555832018
Energy: 1.1639004399114588
Energy: 1.2096828070721484
Energy: 1.2097357018984378
Energy: 1.4354074612454133
Energy: 1.2097357018984378
Energy: 1.209530780609126
Energy: 1.2278793835087043
Energy: 1.2608325970497725
Energy: 1.2278793835087043
Energy: 1.394250321216527
Energy: 1.2408184477368769
Energy: 1.2616085719412042
Energy: 1.2408184477368769
Energy: 1.2095170701680402
Energy: 1.210179284106515
Energy: 1.2440300779622675
Energy: 1.2101792841078576
Energy: 1.2099876659268824
Energy: 1.1792652136276751
Energy: 1.4460057359472793
Energy: 1.1792652136263329
Energy: 1.441318341035251
Energy: 1.2276726833362461
Energy: 1.1681010147503033
Energy: 1.2276726833362461
Energy: 1.2180984033344395
Energy: 1.2697507702864104
Energy: 1.2274557766766405
Energy: 1.2697507702864104
Energy: 1.197215935189662
Energy: 1.2529114120380171
Energy: 1.3945360157296962
Energy: 1.2529114120393594
Energy: 1.2973982069059118
Energy: 1.1628685058779855
Energy: 1.364643532057747
Energy: 1.162868505876643
Energy: 1.405804336211095
Energy: 1.1624040130401219
Energy: 1.3648234909708064
Energy: 1.1624040130401219
Energy: 1.182119230387556
Energy: 1.2596110070383595
Energy: 1.4368847754871872
Energy: 1.2596110070383595
Energy: 1.1821571918660734
Energy: 1.2758854254198888
Energy: 1.2108043987005832
Energy: 1.2758854254198888
Energy: 1.404047278626536
Energy: 1.2108619171534198
Energy: 1.2108979366131036
Energy: 1.2108619171534198
Energy: 1.3628317852961822
Energy: 1.1685931146040909
Energy: 1.3039164045355895
Energy: 1.1685931146027482
Energy: 1.3628037254734695
Energy: 1.1674104783389097
Energy: 1.378665719239472
Energy: 1.1674104783389097
Energy: 1.4116320327236025
Energy: 1.2097266865810297
Energy: 1.2110525159035461
Energy: 1.2097266865810297
Energy: 1.178884227125671
Energy: 1.228092014816875
Energy: 1.2112262349501648
Energy: 1.2280920148182175
Energy: 1.1828683344248259
Energy: 1.1822472488642455
Energy: 1.443007698898363
Energy: 1.1822472488655877
Energy: 1.3770501287115053
Energy: 1.1624615239074836
Energy: 1.366753999733101
Energy: 1.1624615239074836
Energy: 1.2571733686908508
Energy: 1.1621146484664275
Energy: 1.20513555853947
Energy: 1.1621146484664275

minimum gb energy = 1.1620542399598066 eV
minimum distance =  2.3077796947867 Angstroms
sigma value = 53


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

Energy: 1.1943663035225724
Energy: 1.197455631679942
Energy: 2.518142827271641
Energy: 1.1974556316802583
Energy: 1.27624102401775
Energy: 1.1955553615548988
Energy: 1.194417728872122
Energy: 1.1955553615548988
Energy: 1.1942704553495997
Energy: 1.2971476796776455
Energy: 1.3068046134512044
Energy: 1.2971476796773296
Energy: 1.306791310787896
Energy: 1.297127008405425
Energy: 1.1942052453946626
Energy: 1.2971270084057058
Energy: 1.1942307721408574
Energy: 1.1973673697344727
Energy: 1.2763886339620796
Energy: 1.1973673697344727
Energy: 2.518142827271009
Energy: 1.197455631679942
Energy: 1.1943663035222565
Energy: 1.197455631679942
Energy: 1.194417728872403
Energy: 1.1955553615545829
Energy: 1.276241024017434
Energy: 1.195555361555215
Energy: 1.3068046134512044
Energy: 1.2971476796776455
Energy: 1.1942704558966972
Energy: 1.2971476796770134
Energy: 1.1942052454975285
Energy: 1.297127008405425
Energy: 1.306791310788212
Energy: 1.297127008405425
Energy: 1.2763886339620796
Energy: 1.1973673697338405
Energy: 1.1942307721402252
Energy: 1.1973673697341565
Energy: 1.1943663035225724
Energy: 1.197455631679942
Energy: 2.518142827270096
Energy: 1.197455631679942
Energy: 1.27624102401775
Energy: 1.195555361555215
Energy: 1.194417728872403
Energy: 1.195555361555215
Energy: 1.1942704564388427
Energy: 1.2971476796776455
Energy: 1.3068046134512044
Energy: 1.2971476796776455

minimum gb energy = 1.1942052453946626 eV
minimum distance =  2.31510413393145 Angstroms
sigma value = 9


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

Energy: 1.3936235680951647
Energy: 1.286685592493716
Energy: 2.259558521681716
Energy: 1.286685592493716
Energy: 1.5522915553726078
Energy: 1.2781997409584422
Energy: 1.3931743656058022
Energy: 1.2781997409595862
Energy: 1.3226759168727944
Energy: 1.2510181448074467
Energy: 1.2512672969995182
Energy: 1.2510181448074467
Energy: 1.2618476699491405
Energy: 1.2748650408918274
Energy: 1.3653372813527553
Energy: 1.2748650408918274
Energy: 1.318746221407412
Energy: 1.237780413749323
Energy: 1.5555442088763947
Energy: 1.237780413749323
Energy: 1.519577845686907
Energy: 1.3491110024548576
Energy: 1.3910849351002668
Energy: 1.3491110024548576
Energy: 1.381038578238443
Energy: 1.3282438338913192
Energy: 1.5785035843722468
Energy: 1.3282438338913192
Energy: 1.237917121563611
Energy: 1.282838200186436
Energy: 1.3255243670694237
Energy: 1.282838200185292
Energy: 1.3303732649437787
Energy: 1.2513968598297935
Energy: 1.2863877887910498
Energy: 1.2513968598309375
Energy: 1.3979789682582375
Energy: 1.2514361242768888
Energy: 1.3497523787722228
Energy: 1.2514361242757448
Energy: 1.2625096065880743
Energy: 1.3574463291171692
Energy: 1.5482108604427056
Energy: 1.3574463291160255
Energy: 1.5957408395954855
Energy: 1.3344714191027194
Energy: 1.3260505133270726
Energy: 1.3344714191015754
Energy: 1.3123361669315285
Energy: 1.26643963673212
Energy: 1.2690053210428685
Energy: 1.26643963673212
Energy: 1.3167810716762336
Energy: 1.3252471271647863
Energy: 1.4180042827412245
Energy: 1.3252471271647863
Energy: 1.3217035786651503
Energy: 1.2829946232662033
Energy: 1.2662758612658969
Energy: 1.2829946232662033
Energy: 1.5526881974201177
Energy: 1.2663882628147851
Energy: 1.27172675819154
Energy: 1.2663882628124974
Energy: 1.4302271632975825
Energy: 1.2670838726504678
Energy: 1.6179273776465684
Energy: 1.2670838726516116
Energy: 1.265801200998923
Energy: 1.3564680190928255
Energy: 1.3451781581641513
Energy: 1.3564680190939695
Energy: 1.587467191042692
Energy: 1.3518856248585363
Energy: 1.308522519899259
Energy: 1.3518856248573923
Energy: 1.2826383914781285
Energy: 1.2663260690612856
Energy: 1.2820286459215908
Energy: 1.2663260690612856
Energy: 1.2369365319433492
Energy: 1.2833544594996649
Energy: 1.3083851875992727
Energy: 1.283354459498521
Energy: 1.5312668021858247
Energy: 1.237534624848323
Energy: 1.3885465223920814
Energy: 1.237534624848323
Energy: 1.4166202361511588
Energy: 1.345954459200222
Energy: 1.3896791923008665
Energy: 1.3459544592013657
Energy: 1.3375758163462428
Energy: 1.3571475695827868
Energy: 1.4824891229204002
Energy: 1.357147569581643
Energy: 1.2607563503154646
Energy: 1.2830435055386475
Energy: 1.2508526290947106
Energy: 1.2830435055386475
Energy: 1.491793318263184
Energy: 1.310123756977867
Energy: 1.2513879326117363
Energy: 1.310123756979011
Energy: 1.472065512995867
Energy: 1.2330046831139725
Energy: 1.5645654881461193
Energy: 1.2330046831128287
Energy: 1.3927735118413098
Energy: 1.2328722222628403
Energy: 1.5638015817505178
Energy: 1.2328722222628403
Energy: 1.4777327526017237
Energy: 1.3107902985353026
Energy: 1.2989370350477978
Energy: 1.3107902985364466
Energy: 1.2604706803306012
Energy: 1.2837092568030237
Energy: 1.2508173845689214
Energy: 1.2837092568041677
Energy: 1.3228119016748179
Energy: 1.3547372720063557
Energy: 1.4886898688972106
Energy: 1.354737272005212
Energy: 1.4168144734939367
Energy: 1.2373360209200197
Energy: 1.392306332047854
Energy: 1.237336020918876
Energy: 1.624066315505523
Energy: 1.2373337722072681
Energy: 1.3956184852723994
Energy: 1.2373337722061244
Energy: 1.2369697558775232
Energy: 1.2837470289230932
Energy: 1.5697256970276223
Energy: 1.283747028924237
Energy: 1.282527261592131
Energy: 1.2665434885589144
Energy: 1.2817497904442146
Energy: 1.2665434885589144

minimum gb energy = 1.2328722222628403 eV
minimum distance =  2.27043157678515 Angstroms
sigma value = 73


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

Energy: 1.4448705200536798
Energy: 1.357227872135308
Energy: 2.3225685505437355
Energy: 1.3572278721349573
Energy: 1.4695256550712452
Energy: 1.2977968122488928
Energy: 1.4058515066724742
Energy: 1.2977968122485215
Energy: 1.3496386116268366
Energy: 1.3150988223271955
Energy: 1.2293896605287755
Energy: 1.3150988223266387
Energy: 1.2765184247440153
Energy: 1.2567524514122965
Energy: 1.3727430094394184
Energy: 1.256752451413039
Energy: 1.4298748567930746
Energy: 1.2568306062570531
Energy: 1.4592698854566262
Energy: 1.2568306062577752
Energy: 1.6705832698345344
Energy: 1.379611437426252
Energy: 1.2399346060765475
Energy: 1.3796114374257158
Energy: 1.3165846643550319
Energy: 1.300150693762658
Energy: 1.5045157394309008
Energy: 1.300150693762658
Energy: 1.2586129057716786
Energy: 1.2567831074404536
Energy: 1.3604595488645548
Energy: 1.2567831074397111
Energy: 1.5275426232218585
Energy: 1.3148100579713127
Energy: 1.3543908735541041
Energy: 1.3148100579713127
Energy: 1.2568372803641845
Energy: 1.315093865926125
Energy: 1.354854426717672
Energy: 1.31509386592629
Energy: 1.2566695784781012
Energy: 1.256740767014991
Energy: 1.6456688467830956
Energy: 1.2567407670155273
Energy: 1.5647614333752207
Energy: 1.2566886649495197
Energy: 1.4778372529792296
Energy: 1.2566886649493343
Energy: 1.4283266481338566
Energy: 1.2570431594032898
Energy: 1.2384441999099152
Energy: 1.2570431594032898
Energy: 1.314783255167384
Energy: 1.4229157927242162
Energy: 1.5264099357310046
Energy: 1.4229157927247522
Energy: 1.2761612554377673
Energy: 1.2566567079678765
Energy: 1.2643998954740279
Energy: 1.256656707967691
Energy: 1.4076029899698745
Energy: 1.3151693384271872
Energy: 1.229633911281292
Energy: 1.3151693384277232
Energy: 1.4302836006711739
Energy: 1.2381379592977677
Energy: 1.6531884635645622
Energy: 1.2381379592981183
Energy: 1.4305575164567599
Energy: 1.2381918096436202
Energy: 1.6523928889817188
Energy: 1.2381918096436202
Energy: 1.5623872940895758
Energy: 1.3155650766498797
Energy: 1.2646204392519598
Energy: 1.315565076649694
Energy: 1.276037687496087
Energy: 1.2567996205879366
Energy: 1.2294075964935485
Energy: 1.256799620587751
Energy: 1.3504678292627477
Energy: 1.2774447470492691
Energy: 1.5287266423861894
Energy: 1.2774447470490835
Energy: 1.4283225191119064
Energy: 1.2568443331831634
Energy: 1.2383430331402248
Energy: 1.256844333183514

minimum gb energy = 1.2293896605287755 eV
minimum distance =  2.26831031494207 Angstroms
sigma value = 7


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

Energy: 1.5800867792244755
Energy: 1.386346106734219
Energy: 2.311635504763963
Energy: 1.386346106734219
Energy: 1.5165202524735437
Energy: 1.306235859842295
Energy: 1.316976895305937
Energy: 1.306235859842295
Energy: 1.2995831816304964
Energy: 1.2794858093799097
Energy: 1.2809492707589767
Energy: 1.2794858093786265
Energy: 1.3048358431559193
Energy: 1.2321393775774725
Energy: 1.2803017671120216
Energy: 1.232139377576189
Energy: 1.3932858928856073
Energy: 1.2797108413576128
Energy: 1.2318013236834897
Energy: 1.2797108413576128
Energy: 1.8140613662243465
Energy: 1.2318240878029751
Energy: 1.2346361327689812
Energy: 1.2318240878016917
Energy: 1.2735151505605016
Energy: 1.3140810889849552
Energy: 1.5851141373780366
Energy: 1.3140810889849552
Energy: 1.2347753522787972
Energy: 1.2320906327220775
Energy: 1.386895588349027
Energy: 1.2320906327220775
Energy: 1.6223361011485
Energy: 1.279750221175467
Energy: 1.3163490923227912
Energy: 1.279750221175467
Energy: 1.2795274706257436
Energy: 1.2319789841823694
Energy: 1.3051716490352496
Energy: 1.2319789841823694
Energy: 1.2794518471920813
Energy: 1.279628180054559
Energy: 1.3820234251532157
Energy: 1.279628180054559
Energy: 1.7268337402694736
Energy: 1.2318967773591258
Energy: 1.4957647632582556
Energy: 1.2318967773591258
Energy: 1.72353576019933
Energy: 1.232288251460765
Energy: 1.4973924842405155
Energy: 1.232288251460765
Energy: 1.2801409060867797
Energy: 1.279974160069432
Energy: 1.650991322874527
Energy: 1.279974160069432
Energy: 1.2793592082288547
Energy: 1.2319339932350175
Energy: 1.2995584684461943
Energy: 1.2319339932350175
Energy: 1.6212396629267354
Energy: 1.3820567242026902
Energy: 1.3141535520020615
Energy: 1.3820567242026902
Energy: 1.2315418753665215
Energy: 1.2320349586762416
Energy: 1.3869423789869721
Energy: 1.2320349586749584
Energy: 1.2319071437691629
Energy: 1.27966276404027
Energy: 1.6135432025995387
Energy: 1.27966276404027
Energy: 1.8293510285844605
Energy: 1.231891814456467
Energy: 1.2316748496760124
Energy: 1.231891814456467
Energy: 1.3880075972229557
Energy: 1.2802809002961482
Energy: 1.2317107513750136
Energy: 1.2802809002961482
Energy: 1.2995802711829734
Energy: 1.313947486043822
Energy: 1.3996489959877068
Energy: 1.3139474860451055
Energy: 1.2994578465893123
Energy: 1.2799339984406974
Energy: 1.2844948892260153
Energy: 1.2799339984419804
Energy: 1.516586006405177
Energy: 1.3081188359658809
Energy: 1.3156832504162885
Energy: 1.3081188359658809
Energy: 1.494780718225669
Energy: 1.232632223816586
Energy: 1.7226342817326386
Energy: 1.232632223815303
Energy: 1.5002256178390259
Energy: 1.2316515235817376
Energy: 1.301871180657676
Energy: 1.2316515235817376
Energy: 1.382586240998924
Energy: 1.2802235048615267
Energy: 1.2844367952104667
Energy: 1.2802235048615267
Energy: 1.301268400818164
Energy: 1.232142980380904
Energy: 1.2802020182577671
Energy: 1.232142980380904
Energy: 1.3873783119175105
Energy: 1.2799750123563258
Energy: 1.5564984150800893
Energy: 1.2799750123563258
Energy: 1.38689662385445
Energy: 1.2317082871569158
Energy: 1.2315156648637675
Energy: 1.2317082871581992
Energy: 1.590783953015929
Energy: 1.3322709813025018
Energy: 1.5909804729872004
Energy: 1.3322709813012186
Energy: 1.2315069607287852
Energy: 1.2316979166050037
Energy: 1.386896623853167
Energy: 1.2316979166050037

minimum gb energy = 1.2315069607287852 eV
minimum distance =  2.28879488771519 Angstroms
sigma value = 29


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

Energy: 1.1112497716992178
Energy: 1.199787467322966
Energy: 2.390902686437624
Energy: 1.199787467322519
Energy: 1.577129186415727
Energy: 1.1905809482259861
Energy: 1.1976539926469052
Energy: 1.190580948225539
Energy: 1.4486714808470071
Energy: 1.1676533355321912
Energy: 1.1689506695552887
Energy: 1.1676533355326384
Energy: 1.6281887795850838
Energy: 1.1998381892726915
Energy: 1.168376554517577
Energy: 1.1998381892722694
Energy: 1.663352338317397
Energy: 1.16778158012611
Energy: 1.1681813364922642
Energy: 1.167781580126532
Energy: 1.4485006556561735
Energy: 1.1688998926737153
Energy: 1.1677844951352334
Energy: 1.1688998926737153
Energy: 1.3193612993483288
Energy: 1.167610967365542
Energy: 1.8312329621866794
Energy: 1.167610967365542
Energy: 1.1097710888594097
Energy: 1.1692179504397404
Energy: 1.833583788345136
Energy: 1.1692179504392932
Energy: 1.6150107441372763
Energy: 1.1981124232074614
Energy: 1.1985963997765203
Energy: 1.1981124232074614

minimum gb energy = 1.1097710888594097 eV
minimum distance =  2.34075016691075 Angstroms
sigma value = 5


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

Energy: 1.3618851242917844
Energy: 1.2384321721192177
Energy: 2.1161576829261053
Energy: 1.2384321721180056
Energy: 1.3559958419004203
Energy: 1.212623135687956
Energy: 1.3198019391854094
Energy: 1.212623135687956
Energy: 1.275046407943985
Energy: 1.2675796515894775
Energy: 1.2659602676250705
Energy: 1.2675796515906899
Energy: 1.274950525269106
Energy: 1.276782112330017
Energy: 1.343609230188946
Energy: 1.2767821123312295
Energy: 1.2065262503455152
Energy: 1.2667162916093466
Energy: 1.2386862716115494
Energy: 1.2667162916093466
Energy: 1.3390494712032968
Energy: 1.296200095628056
Energy: 1.2359657592737618
Energy: 1.296200095629268
Energy: 1.3407230636328153
Energy: 1.2504231023754144
Energy: 1.3932483905508108
Energy: 1.2504231023754144
Energy: 1.3432142551197643
Energy: 1.2498849959099054
Energy: 1.5186736508574978
Energy: 1.2498849959111178
Energy: 1.5440961888684877
Energy: 1.2300439063872015
Energy: 1.3331714102280974
Energy: 1.2300439063872015
Energy: 1.5459964393465764
Energy: 1.2303075018209035
Energy: 1.3361555105974845
Energy: 1.2303075018209035
Energy: 1.2658354670226983
Energy: 1.2677236434568875
Energy: 1.3049804057942223
Energy: 1.2677236434568875
Energy: 1.2668545338840653
Energy: 1.267555436309379
Energy: 1.2360001713431115
Energy: 1.267555436309379
Energy: 1.3698472321696642
Energy: 1.318910054554911
Energy: 1.234779923273367
Energy: 1.318910054554911
Energy: 1.2243528940572137
Energy: 1.2688427725208
Energy: 1.2349036500474189
Energy: 1.2688427725183757
Energy: 1.2470544941080886
Energy: 1.3689740420747352
Energy: 1.443998363813315
Energy: 1.3689740420747352
Energy: 1.5870348779137367
Energy: 1.24116198847229
Energy: 1.3319792498804686
Energy: 1.2411619884735023
Energy: 1.4394171109712388
Energy: 1.231402600116138
Energy: 1.4601102618700879
Energy: 1.2314026001137137
Energy: 1.2450987142016232
Energy: 1.252002355419059
Energy: 1.523945595365489
Energy: 1.2520023554166344
Energy: 1.3416232280259281
Energy: 1.2474983897044403
Energy: 1.295258763210566
Energy: 1.2474983897056524
Energy: 1.2634349948287735
Energy: 1.2670301504793307
Energy: 1.2408342102944419
Energy: 1.2670301504781183
Energy: 1.26452163461074
Energy: 1.276117256393421
Energy: 1.296158820555858
Energy: 1.276117256393421
Energy: 1.3544426072572107
Energy: 1.2671359055852107
Energy: 1.249906615633758
Energy: 1.2671359055852107
Energy: 1.275240425360815
Energy: 1.2662120609015515
Energy: 1.2517967675787318
Energy: 1.2662120609015515
Energy: 1.4674480883393477
Energy: 1.227286434971953
Energy: 1.6487326983429957
Energy: 1.227286434971953
Energy: 1.462886260256332
Energy: 1.2277297215127656
Energy: 1.7012087008452035
Energy: 1.2277297215127656
Energy: 1.4508295420782817
Energy: 1.2650090456607397
Energy: 1.2497120151445105
Energy: 1.2650090456607397
Energy: 1.2788740030285104
Energy: 1.2655890949366058
Energy: 1.2519612241762512
Energy: 1.2655890949353936
Energy: 1.3026471208698016
Energy: 1.277536533291459
Energy: 1.4082758376953486
Energy: 1.2775365332926711
Energy: 1.2651967944787397
Energy: 1.267319515232591
Energy: 1.2381783075825619
Energy: 1.2673195152313788
Energy: 1.3572837416644898
Energy: 1.3726402251309542
Energy: 1.3029587844699568
Energy: 1.3726402251309542
Energy: 1.3386836861272537
Energy: 1.25250172431001
Energy: 1.390580434531586
Energy: 1.2525017243112224
Energy: 1.339990190166072
Energy: 1.2205215000903384
Energy: 1.514189851354379
Energy: 1.2205215000903384
Energy: 1.705821712585337
Energy: 1.2325368796660419
Energy: 1.3312729459438306
Energy: 1.2325368796648295

minimum gb energy = 1.2065262503455152 eV
minimum distance =  2.27511609378979 Angstroms
sigma value = 1


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

Energy: 1.233221246711347
Energy: 1.1846665315042788
Energy: 2.1979880438183903
Energy: 1.1846665315042788
Energy: 1.1801252144345142
Energy: 1.195089209177461
Energy: 1.2463964763332283
Energy: 1.195089209177461
Energy: 1.3913758130225728
Energy: 1.2452505807962866
Energy: 1.3089286384702783
Energy: 1.2452505807962866
Energy: 1.2455831722448887
Energy: 1.245714674210827
Energy: 1.2724842388394
Energy: 1.245714674210827
Energy: 1.1955157443887048
Energy: 1.1847781769849546
Energy: 1.1954503729953072
Energy: 1.1847781769849546
Energy: 1.1959787821439627
Energy: 1.2459774909651913
Energy: 1.1954126169271695
Energy: 1.2459774909651913
Energy: 1.2728183506215547
Energy: 1.245480717102804
Energy: 1.3895126080770692
Energy: 1.245480717102804
Energy: 1.2771504527051516
Energy: 1.2451898062274713
Energy: 1.3926059059290856
Energy: 1.2451898062274713
Energy: 1.4792948087881888
Energy: 1.1844813536982581
Energy: 1.2039903276690582
Energy: 1.1844813536982581
Energy: 1.4792948087848365
Energy: 1.184467870183993
Energy: 1.2039919312285507
Energy: 1.184467870185669
Energy: 1.2755910683465845
Energy: 1.245219105262204
Energy: 1.3926059059290856
Energy: 1.245219105262204
Energy: 1.2727984554459963
Energy: 1.245493511189054
Energy: 1.389512608078745
Energy: 1.245493511189054
Energy: 1.1961116803509357
Energy: 1.2460454345852605
Energy: 1.195288837855103
Energy: 1.2460454345852605
Energy: 1.195514496403586
Energy: 1.1848118069776377
Energy: 1.1956023906446485
Energy: 1.1848118069776377
Energy: 1.2454676379639646
Energy: 1.245570919754559
Energy: 1.2724182959301693
Energy: 1.245570919754559
Energy: 1.3913758130225728
Energy: 1.2452496619872744
Energy: 1.3088176878440585
Energy: 1.2452496619872744
Energy: 1.1801934145811146
Energy: 1.194738006035506
Energy: 1.2463870132055448
Energy: 1.194738006035506
Energy: 1.233221246711347
Energy: 1.1846665315042788
Energy: 2.1979880438183903
Energy: 1.1846665315042788
Energy: 1.1801252144345142
Energy: 1.195089209177461
Energy: 1.2463964763332283
Energy: 1.195089209177461
Energy: 1.3913758130225728
Energy: 1.2452505807962866
Energy: 1.3089286384702783
Energy: 1.2452505807962866
Energy: 1.2455831722448887
Energy: 1.245714674210827
Energy: 1.2724842388394
Energy: 1.245714674210827
Energy: 1.1955157443903428
Energy: 1.1847781769849546
Energy: 1.1954503729953072
Energy: 1.1847781769849546
Energy: 1.1959787821439627
Energy: 1.2459774909651913
Energy: 1.1954126169271695
Energy: 1.2459774909651913
Energy: 1.272818350623231
Energy: 1.245480717102804
Energy: 1.3895126080770692
Energy: 1.245480717102804

minimum gb energy = 1.1801252144345142 eV
minimum distance =  2.28675475938111 Angstroms
sigma value = 17


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

Energy: 1.4190734779246945
Energy: 1.2189692914208778
Energy: 2.0036462004503766
Energy: 1.2189692914229497
Energy: 1.313312540054789
Energy: 1.224100449041773
Energy: 1.2964538874212763
Energy: 1.224100449041773
Energy: 1.246016094169301
Energy: 1.2232986220654825
Energy: 1.2374162949914853
Energy: 1.2232986220654825
Energy: 1.2739567406349723
Energy: 1.234676339458665
Energy: 1.3800711692165593
Energy: 1.234676339458665
Energy: 1.2524584971694046
Energy: 1.2176753801404259
Energy: 1.2411830355125766
Energy: 1.2176753801373181
Energy: 1.261949787838255
Energy: 1.2492064205261926
Energy: 1.2412113635737354
Energy: 1.2492064205241207
Energy: 1.227283425001664
Energy: 1.2304792854775861
Energy: 1.2180938202208345
Energy: 1.2304792854775861
Energy: 1.2254507913327686
Energy: 1.230439949440907
Energy: 1.2515247596881331
Energy: 1.230439949439871
Energy: 1.4510911900184396
Energy: 1.2066960246912264
Energy: 1.3921723269438728
Energy: 1.2066960246912264
Energy: 1.4908528286332494
Energy: 1.2069760702801424
Energy: 1.3912972223514608
Energy: 1.2069760702801424
Energy: 1.2854743691268975
Energy: 1.210816779203322
Energy: 1.2521075141364517
Energy: 1.210816779203322
Energy: 1.2825467099591368
Energy: 1.2110643769361937
Energy: 1.250222856254074
Energy: 1.2110643769382656
Energy: 1.2702453691487545
Energy: 1.2361789902271063
Energy: 1.2414690708621587
Energy: 1.2361789902291782
Energy: 1.226728750799417
Energy: 1.217871175576612
Energy: 1.2402018796285692
Energy: 1.21787117557454
Energy: 1.225676270184965
Energy: 1.2569746098674932
Energy: 1.245264571193125
Energy: 1.2569746098674932
Energy: 1.2286143681656616
Energy: 1.2305361936185641
Energy: 1.2371900960261641
Energy: 1.2305361936196004
Energy: 1.3772188172333426
Energy: 1.2124931560373637
Energy: 1.2762408550717752
Energy: 1.2124931560363277
Energy: 1.2795611432989613
Energy: 1.219930035119222
Energy: 1.4726004276385318
Energy: 1.219930035120258
Energy: 1.2805207219285075
Energy: 1.200831970336519
Energy: 1.276373560347289
Energy: 1.200831970335483
Energy: 1.590951002386658
Energy: 1.2155314103072057
Energy: 1.2814832209143812
Energy: 1.2155314103051336
Energy: 1.2583445936471704
Energy: 1.3286269137768303
Energy: 1.367623728764713
Energy: 1.3286269137768303
Energy: 1.226539144922317
Energy: 1.2180790249151738
Energy: 1.2250766496095002
Energy: 1.21807902491621
Energy: 1.324864009326962
Energy: 1.3026103387442676
Energy: 1.2766235951746647
Energy: 1.3026103387463397
Energy: 1.2193069160056857
Energy: 1.2311157189545172
Energy: 1.2053219093754874
Energy: 1.2311157189545172
Energy: 1.2206618647613505
Energy: 1.2580000631259434
Energy: 1.2924689341275435
Energy: 1.2580000631249073
Energy: 1.2476478323471478
Energy: 1.218287806625221
Energy: 1.2240738673147207
Energy: 1.218287806626257
Energy: 1.3305243862834089
Energy: 1.2184572092842147
Energy: 1.2868182482715793
Energy: 1.218457209283179
Energy: 1.3839114755728645
Energy: 1.1925559700474642
Energy: 1.6597745850875836
Energy: 1.1925559700464283
Energy: 1.388816635806534
Energy: 1.1933353733128846
Energy: 1.5034756567942245
Energy: 1.1933353733097767
Energy: 1.246074381708781
Energy: 1.2185616251770046
Energy: 1.2242855143504054
Energy: 1.2185616251738967
Energy: 1.249169501685503
Energy: 1.2186810824622412
Energy: 1.2869771189469736
Energy: 1.2186810824622412
Energy: 1.2191927145115844
Energy: 1.256008414308417
Energy: 1.2484264699191985
Energy: 1.256008414308417
Energy: 1.2207320445490923
Energy: 1.2315302393592764
Energy: 1.2032465447834853
Energy: 1.2315302393603123
Energy: 1.3019242818347718
Energy: 1.234713588472899
Energy: 1.225624000773686
Energy: 1.2347135884739349
Energy: 1.2253370771671293
Energy: 1.2187840052468009
Energy: 1.2582315471117071
Energy: 1.218784005245765
Energy: 1.3345515797813854
Energy: 1.1987643523614768
Energy: 1.3714348375308656
Energy: 1.1987643523604405
Energy: 1.6446834527319338
Energy: 1.210206793548164
Energy: 1.2811507836948473
Energy: 1.210206793548164
Energy: 1.3785660719173893
Energy: 1.1998801513659845
Energy: 1.293895292349813
Energy: 1.1998801513680564

minimum gb energy = 1.1925559700464283 eV
minimum distance =  2.28627739639751 Angstroms
sigma value = 89


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

Energy: 1.3183299213380797
Energy: 1.1369134806288468
Energy: 2.0325991595413564
Energy: 1.1369134806288468
Energy: 1.219241390504622
Energy: 1.1699494450346515
Energy: 1.2722127548050903
Energy: 1.169949445034898
Energy: 1.3418477733125038
Energy: 1.1279463041275761
Energy: 1.142062558544487
Energy: 1.1279463041267446
Energy: 1.1898526522788866
Energy: 1.198467633176443
Energy: 1.3419868281508849
Energy: 1.1984676331767203
Energy: 1.2057676875923962
Energy: 1.1837057665595074
Energy: 1.18531311309692
Energy: 1.183705766558953
Energy: 1.182410359792845
Energy: 1.35635673410239
Energy: 1.1852911209032437
Energy: 1.3563567341026672
Energy: 1.185798196740464
Energy: 1.1280821417520706
Energy: 1.1850565070300016
Energy: 1.128082141751547
Energy: 1.1835233497151834
Energy: 1.1956155629903595
Energy: 1.3444878693196576
Energy: 1.1956155629906364
Energy: 1.3431640027569989
Energy: 1.1839015585867045
Energy: 1.1225525848213072
Energy: 1.1839015585864276
Energy: 1.1827314864359624
Energy: 1.1847213312881477
Energy: 1.1213543364831524
Energy: 1.1847213312881477
Energy: 1.262998550091947
Energy: 1.1279900530624172
Energy: 1.3443973038882788
Energy: 1.1279900530626639
Energy: 1.262840263425321
Energy: 1.1289269671309188
Energy: 1.344370899589834
Energy: 1.1289269671309188
Energy: 1.3429616895075676
Energy: 1.1840700135973483
Energy: 1.123036722966524
Energy: 1.1840700135976256
Energy: 1.3415864870716172
Energy: 1.1849870830759268
Energy: 1.1212375488466049
Energy: 1.184987083076481
Energy: 1.1849329358234912
Energy: 1.1838899979997841
Energy: 1.2570670322390824
Energy: 1.1838899980000612

minimum gb energy = 1.1212375488466049 eV
minimum distance =  2.28424426568934 Angstroms
sigma value = 13


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

Energy: 1.1938750768315485
Energy: 1.1038260047670045
Energy: 1.8189336971712189
Energy: 1.1038260047670045
Energy: 1.188886719675599
Energy: 1.1015854473176223
Energy: 1.135183864838901
Energy: 1.1015854473176223
Energy: 1.2331285361368838
Energy: 1.0862291578741514
Energy: 1.1837114110329363
Energy: 1.0862291578741514
Energy: 1.1700781127196433
Energy: 1.105854502744913
Energy: 1.1346950913018996
Energy: 1.105854502744913
Energy: 1.1132033664820573
Energy: 1.115045282911688
Energy: 1.1538883332155534
Energy: 1.115045282911688
Energy: 1.2385058250250296
Energy: 1.1158736916311398
Energy: 1.1735853129800125
Energy: 1.1158736916311398
Energy: 1.1378587410191716
Energy: 1.0863245211686055
Energy: 1.1468577439986911
Energy: 1.0863245211686055
Energy: 1.1409354053954395
Energy: 1.1309311458538107
Energy: 1.1363984121346227
Energy: 1.1309311458538107
Energy: 1.1473207465960271
Energy: 1.1149197088969411
Energy: 1.1047002052128707
Energy: 1.1149197088969411
Energy: 1.308690314590624
Energy: 1.1156038878424113
Energy: 1.1942177474930378
Energy: 1.1156038878424113
Energy: 1.1585164192661956
Energy: 1.086259113758132
Energy: 1.2270434258732175
Energy: 1.0862591137592683
Energy: 1.1585440067450543
Energy: 1.0871241278195118
Energy: 1.136499274009307
Energy: 1.0871241278195118
Energy: 1.2234227759521403
Energy: 1.0993474395907143
Energy: 1.16954703823566
Energy: 1.0993474395907143
Energy: 1.2160218521726456
Energy: 1.1014426165951177
Energy: 1.2997115089339972
Energy: 1.1014426165951177
Energy: 1.1657925130111781
Energy: 1.0863265271389777
Energy: 1.2255321778154384
Energy: 1.0863265271389777
Energy: 1.1585638578680812
Energy: 1.0873057229019905
Energy: 1.2333109986855273
Energy: 1.0873057229019905
Energy: 1.223687211060055
Energy: 1.1148858479711206
Energy: 1.1047926286980516
Energy: 1.1148858479722568
Energy: 1.1534903818782725
Energy: 1.1153571342035415
Energy: 1.1946466878617656
Energy: 1.1153571342035415
Energy: 1.1374632248163312
Energy: 1.0870496658943418
Energy: 1.141980299080173
Energy: 1.0870496658943418
Energy: 1.1419952000776306
Energy: 1.0870224700739328
Energy: 1.13746313520352
Energy: 1.0870224700739328
Energy: 1.194659154526565
Energy: 1.115146160628059
Energy: 1.153517225408294
Energy: 1.115146160628059
Energy: 1.1047804026154855
Energy: 1.1148669388609833
Energy: 1.223687211058919
Energy: 1.1148669388609833
Energy: 1.2333109986832553
Energy: 1.0868258148913819
Energy: 1.1585286398672465
Energy: 1.0868258148902459
Energy: 1.2255321778177106
Energy: 1.0863174009528402
Energy: 1.1585966167721446
Energy: 1.0863174009528402
Energy: 1.299680485867381
Energy: 1.1014503556127475
Energy: 1.2159800310930562
Energy: 1.1014503556116115
Energy: 1.169706466897525
Energy: 1.099346310668754
Energy: 1.2234227759464595
Energy: 1.09934631066989
Energy: 1.1365201055547716
Energy: 1.087152657626995
Energy: 1.1585849037428995
Energy: 1.087152657628131
Energy: 1.2270434258732175
Energy: 1.0862487980587983
Energy: 1.1652186119280197
Energy: 1.0862487980576623
Energy: 1.1941704942501066
Energy: 1.1156064697240824
Energy: 1.3089969278177065
Energy: 1.1156064697252186
Energy: 1.1047223296183422
Energy: 1.1149216246334128
Energy: 1.1474061961505875
Energy: 1.1149216246334128
Energy: 1.1364125180889952
Energy: 1.1309339336272692
Energy: 1.140935115498465
Energy: 1.1309339336272692
Energy: 1.1468482232833133
Energy: 1.0863161894225377
Energy: 1.137896610050907
Energy: 1.0863161894225377
Energy: 1.1736263452839615
Energy: 1.115639018901477
Energy: 1.238417649986057
Energy: 1.1156390189026133
Energy: 1.1538945407669456
Energy: 1.1150299070932759
Energy: 1.1132016295328253
Energy: 1.115029907094412
Energy: 1.1351743994320105
Energy: 1.1058587860518805
Energy: 1.1702997944523674
Energy: 1.1058587860530165

minimum gb energy = 1.0862291578741514 eV
minimum distance =  2.30453525393372 Angstroms
sigma value = 37


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

Energy: 1.1888519337518735
Energy: 1.0322285763613352
Energy: 1.7477693290354988
Energy: 1.0322285763617352
Energy: 1.217241576795999
Energy: 1.0518241510665383
Energy: 1.1087328803387135
Energy: 1.0518241510661608
Energy: 1.2253055654506935
Energy: 1.0157973882413565
Energy: 1.1878658424133564
Energy: 1.0157973882411566
Energy: 1.147723215934226
Energy: 1.0313835773835227
Energy: 1.1091846930813436
Energy: 1.0313835773833226
Energy: 1.1032023929651016
Energy: 1.013787761524549
Energy: 1.2144636261785353
Energy: 1.0137877615243491
Energy: 1.190803613448111
Energy: 1.0563095521120316
Energy: 1.128978836229344
Energy: 1.0563095521124315
Energy: 1.105841466179266
Energy: 1.0158070399237105
Energy: 1.154996234870213
Energy: 1.0158070399235328
Energy: 1.1051890727850557
Energy: 1.1564654985204854
Energy: 1.1243986248662468
Energy: 1.1564654985200857
Energy: 1.1124937025959332
Energy: 1.0138173730060185
Energy: 1.1243533234653682
Energy: 1.0138173730060185
Energy: 1.1901080015967642
Energy: 1.0562321786542994
Energy: 1.124994595919432
Energy: 1.0562321786540994
Energy: 1.0752086530802427
Energy: 1.015707506198986
Energy: 1.2128240317631442
Energy: 1.0157075061987861
Energy: 1.085168346841308
Energy: 1.0579931031424818
Energy: 1.1703202435163522
Energy: 1.0579931031424818
Energy: 1.2253408171140656
Energy: 1.0140004475496218
Energy: 1.1348638499721149
Energy: 1.0140004475501994
Energy: 1.0702340075105259
Energy: 1.0162711489624958
Energy: 1.1366187939507968
Energy: 1.0162711489626959
Energy: 1.139179450075154
Energy: 1.0313034564862178
Energy: 1.2128119589652129
Energy: 1.0313034564864179
Energy: 1.0600862194353353
Energy: 1.038659120521847
Energy: 1.1669145913395376
Energy: 1.038659120521447
Energy: 1.2255767935747865
Energy: 1.0139924484067444
Energy: 1.1349397524509988
Energy: 1.0139924484075216
Energy: 1.147320274520567
Energy: 1.0161338227710621
Energy: 1.1362447254511892
Energy: 1.0161338227712617
Energy: 1.0753666415513026
Energy: 1.015702015656464
Energy: 1.2130801263402053
Energy: 1.015702015656264
Energy: 1.0754199285363142
Energy: 1.0575143868293357
Energy: 1.2145473035780145
Energy: 1.0575143868293357

minimum gb energy = 1.0137877615243491 eV
minimum distance =  2.29661634471952 Angstroms
sigma value = 25


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

Energy: 1.1193593070150278
Energy: 0.9441540876378833
Energy: 1.4997281403650635
Energy: 0.9441540876394097
Energy: 0.9951650573503286
Energy: 0.9724949042132738
Energy: 1.0348248008507588
Energy: 0.9724949042117477
Energy: 1.0911366148226394
Energy: 0.9282591179079902
Energy: 1.0922516643916713
Energy: 0.9282591179079902
Energy: 1.0408636489677139
Energy: 0.9800836643008181
Energy: 1.0350716583508952
Energy: 0.9800836643008181
Energy: 1.0452613931909747
Energy: 0.9213529763865005
Energy: 1.0799468791280196
Energy: 0.9213529763849742
Energy: 1.0411184733014034
Energy: 0.9406842232843322
Energy: 1.0681222464809181
Energy: 0.9406842232858585
Energy: 1.0203618503975864
Energy: 0.9211876876939324
Energy: 1.0455261943207819
Energy: 0.9211876876939324
Energy: 1.0451280257537934
Energy: 0.9443169453391892
Energy: 1.0822445055576462
Energy: 0.944316945337663
Energy: 1.0153637979844188
Energy: 0.9215837153475903
Energy: 1.0369435122954893
Energy: 0.9215837153475903
Energy: 1.0633654515414912
Energy: 0.9962640474577562
Energy: 1.0465407579582482
Energy: 0.9962640474577562
Energy: 1.0074627163671503
Energy: 0.9210194708430071
Energy: 1.0446718528995869
Energy: 0.9210194708430071
Energy: 1.0421928164857786
Energy: 0.9442935790260389
Energy: 1.0677815129981418
Energy: 0.9442935790260389
Energy: 1.0231836259800404
Energy: 0.9216694178676276
Energy: 1.018724745823169
Energy: 0.9216694178676276
Energy: 1.1159528695273793
Energy: 0.9437661542852546
Energy: 1.0090870969595465
Energy: 0.9437661542852546
Energy: 0.9933526288437928
Energy: 0.9211497573453078
Energy: 1.0825022443940115
Energy: 0.9211497573453078
Energy: 1.016958275875124
Energy: 0.9212537050884597
Energy: 1.0336290573031968
Energy: 0.9212537050899858
Energy: 1.0877413920381331
Energy: 0.9283626118996432
Energy: 1.0087650699906772
Energy: 0.9283626118981515
Energy: 1.0000199399314218
Energy: 0.9539984869618663
Energy: 1.009245756487808
Energy: 0.9539984869603398
Energy: 1.0294129071383866
Energy: 0.9425022333492904
Energy: 1.0840067922759467
Energy: 0.9425022333492904
Energy: 1.0386052032710003
Energy: 0.9433249756249664
Energy: 1.033404599699329
Energy: 0.9433249756249664
Energy: 1.0873728719818219
Energy: 0.9285400307004907
Energy: 1.0089150526427357
Energy: 0.9285400307004907
Energy: 1.0577423707512918
Energy: 0.938251386975148
Energy: 1.0094361683650288
Energy: 0.9382513869736218
Energy: 0.9931935238143795
Energy: 0.9213143674092829
Energy: 1.079452119488495
Energy: 0.9213143674092829
Energy: 1.0405818319234015
Energy: 0.9208887115569498
Energy: 1.0586109771364025
Energy: 0.9208887115569498
Energy: 1.0242706238453674
Energy: 0.9216407234600927
Energy: 1.0190728495412527
Energy: 0.9216407234616191
Energy: 1.0925538683989966
Energy: 0.9434412863209857
Energy: 1.0093491468494928
Energy: 0.9434412863209857

minimum gb energy = 0.9208887115569498 eV
minimum distance =  2.3060761530251 Angstroms
sigma value = 41


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

Energy: 1.0408913236978794
Energy: 0.8764679350828817
Energy: 1.3274000525424587
Energy: 0.8764679350828817
Energy: 0.9299137597344979
Energy: 0.8984723212297583
Energy: 0.9794821814080503
Energy: 0.8984723212297583
Energy: 0.9907942909236515
Energy: 0.8577903593231129
Energy: 0.9982934991606525
Energy: 0.8577903593218617
Energy: 0.9809015210931964
Energy: 0.9242724005221337
Energy: 0.9793200445609803
Energy: 0.9242724005221337
Energy: 0.9894943864769858
Energy: 0.8479046911318895
Energy: 0.9822522790951634
Energy: 0.8479046911318895
Energy: 0.9808592075093097
Energy: 0.8656871731871045
Energy: 0.9635431304977001
Energy: 0.8656871731858532
Energy: 0.9947107240626955
Energy: 0.844473139779537
Energy: 0.9853406227542394
Energy: 0.844473139779537
Energy: 0.9806687115190427
Energy: 0.8701353666829528
Energy: 0.9635413339352975
Energy: 0.8701353666829528
Energy: 0.987648765443145
Energy: 0.8445248282409573
Energy: 0.9595461199149623
Energy: 0.8445248282409573
Energy: 0.980587213176136
Energy: 0.901381284351423
Energy: 0.9777101088119209
Energy: 0.901381284351423
Energy: 0.9745155900292738
Energy: 0.8446671408756172
Energy: 0.9627626168186932
Energy: 0.8446671408743658
Energy: 0.9687751189215089
Energy: 0.8881843209913393
Energy: 0.9777006459051004
Energy: 0.8881843209925905
Energy: 0.9813513302718093
Energy: 0.8446222256968103
Energy: 0.955847852673543
Energy: 0.8446222256955591
Energy: 0.9804711684208192
Energy: 0.8581774061444024
Energy: 0.9670568315588225
Energy: 0.8581774061444024
Energy: 0.930711067851109
Energy: 0.8445548362808096
Energy: 0.9631417356240723
Energy: 0.844554836282061
Energy: 0.9306406171330733
Energy: 0.8580547184105755
Energy: 0.9947481792653469
Energy: 0.8580547184093241
Energy: 0.9986045846014058
Energy: 0.8443515296399013
Energy: 0.923271049325609
Energy: 0.84435152963865
Energy: 0.9772646362464662
Energy: 0.8442539352288894
Energy: 0.9413441955375098
Energy: 0.8442539352288894
Energy: 0.930869778866121
Energy: 0.8471808990117802
Energy: 0.9838753810555492
Energy: 0.8471808990117802
Energy: 0.9342607455293449
Energy: 0.9134514688169341
Energy: 0.9364471858193321
Energy: 0.9134514688194367
Energy: 0.9881234784367983
Energy: 0.8563440357349544
Energy: 0.9414527079254965
Energy: 0.8563440357349544
Energy: 0.9315876618050043
Energy: 0.8764075248978802
Energy: 0.9756360493273057
Energy: 0.8764075248966288
Energy: 0.9661741259040069
Energy: 0.8754098032688279
Energy: 0.9863930185545647
Energy: 0.8754098032688279
Energy: 0.9909127757620423
Energy: 0.8788878528000802
Energy: 0.9625896547801139
Energy: 0.8788878528000802
Energy: 0.9946033168929574
Energy: 0.8563376889589753
Energy: 0.9408253014975755
Energy: 0.8563376889589753
Energy: 0.9773970524283336
Energy: 0.8575861461045944
Energy: 0.9755183561796751
Energy: 0.8575861461045944
Energy: 0.9313310000227362
Energy: 0.8473339633939542
Energy: 0.9863700807653843
Energy: 0.8473339633952054
Energy: 0.965398697649996
Energy: 0.8553454104768726
Energy: 0.9947551035598114
Energy: 0.855345410478124
Energy: 0.9935724568520913
Energy: 0.8442614367867397
Energy: 0.9232925600113282
Energy: 0.844261436787991
Energy: 0.9808083371473844
Energy: 0.8439520498527344
Energy: 0.9668459156872251
Energy: 0.8439520498527344
Energy: 0.9312431764411712
Energy: 0.8444036712869774
Energy: 0.9584342287604266
Energy: 0.8444036712869774
Energy: 0.9307865498579432
Energy: 0.8577034645055189
Energy: 1.0022726437093163
Energy: 0.8577034645055189

minimum gb energy = 0.8439520498527344 eV
minimum distance =  2.31357205656643 Angstroms
sigma value = 15


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

Energy: 0.9688429779135043
Energy: 0.8144462422632274
Energy: 1.199314222997455
Energy: 0.8144462422632274
Energy: 0.9229212913541821
Energy: 0.8677237982351991
Energy: 0.914298465494017
Energy: 0.867723798234139
Energy: 0.913627827992467
Energy: 0.8045083177043527
Energy: 0.9430692228540182
Energy: 0.8045083177022327
Energy: 0.9107090268966265
Energy: 0.8168692374234359
Energy: 0.9143486986037968
Energy: 0.8168692374234359
Energy: 0.9301503387525671
Energy: 0.792884707951021
Energy: 0.9073157926294536
Energy: 0.7928847079478408
Energy: 0.9104913786410399
Energy: 0.8520868072897998
Energy: 0.9121436001222868
Energy: 0.85208680729086
Energy: 0.9174464412868144
Energy: 0.7828244469132648
Energy: 0.9399421312550533
Energy: 0.7828244469111446
Energy: 0.9030049696278365
Energy: 0.8526512833608645
Energy: 0.9122324154572266
Energy: 0.8526512833608645
Energy: 0.9321805608189135
Energy: 0.7816886885789303
Energy: 0.89449922341126
Energy: 0.7816886885789303
Energy: 0.9028589245173283
Energy: 0.7983982457905496
Energy: 0.9144639568584221
Energy: 0.7983982457905496
Energy: 0.9062074245938383
Energy: 0.7817909600410696
Energy: 0.911111040124541
Energy: 0.7817909600410696
Energy: 0.9125572063513041
Energy: 0.8179000504292331
Energy: 0.9140028296695634
Energy: 0.8179000504302932
Energy: 0.9131492976496982
Energy: 0.7818811068183692
Energy: 0.894015687551739
Energy: 0.7818811068194294
Energy: 0.9127557181849136
Energy: 0.809691912905257
Energy: 0.9072632966459045
Energy: 0.8096919129063169
Energy: 0.9078627449759602
Energy: 0.7819349456546504
Energy: 0.8975950971363192
Energy: 0.7819349456546504
Energy: 0.9121499906868936
Energy: 0.8096874727117052
Energy: 0.9140505116220013
Energy: 0.8096874727106451
Energy: 0.9099802230640127
Energy: 0.7818058510646585
Energy: 0.9058343069764536
Energy: 0.7818058510657185
Energy: 0.919704175762334
Energy: 0.7905591388221647
Energy: 0.8767124296771979
Energy: 0.7905591388232249
Energy: 0.8713906951634467
Energy: 0.7816507004013226
Energy: 0.8981848546439267
Energy: 0.7816507004034428
Energy: 0.9054478687209301
Energy: 0.7981009998943712
Energy: 0.9079915874179708
Energy: 0.798100999892251
Energy: 0.921427842469049
Energy: 0.7832344831584309
Energy: 0.8772840686316796
Energy: 0.783234483159491
Energy: 0.9218331668145775
Energy: 0.8451188769057384
Energy: 0.9124613623095217
Energy: 0.8451188769057384
Energy: 0.8797206467471106
Energy: 0.7927670755728489
Energy: 0.9086013453665674
Energy: 0.7927670755717887
Energy: 0.9136355518411734
Energy: 0.8576149421680137
Energy: 0.9202612651319173
Energy: 0.857614942169074
Energy: 0.9116311263137171
Energy: 0.801246969867193
Energy: 0.8946124636056634
Energy: 0.801246969867193
Energy: 0.8786869464640311
Energy: 0.8201953219047515
Energy: 0.9222146915508945
Energy: 0.8201953219058117
Energy: 0.9052064924543755
Energy: 0.8141153416144778
Energy: 0.9103889731184496
Energy: 0.8141153416144778
Energy: 0.9229066212887883
Energy: 0.8256582817920393
Energy: 0.9204139518136777
Energy: 0.8256582817930994
Energy: 0.9183342161315936
Energy: 0.801534658212264
Energy: 0.894410930903392
Energy: 0.801534658212264
Energy: 0.9217927211145647
Energy: 0.8036076106837251
Energy: 0.9221632316427381
Energy: 0.8036076106858453
Energy: 0.8796401752581503
Energy: 0.7928520826481003
Energy: 0.9100115866313035
Energy: 0.7928520826491603
Energy: 0.9135795335371607
Energy: 0.8032995335074582
Energy: 0.9083789736926536
Energy: 0.8032995335074582
Energy: 0.917130284978857
Energy: 0.7831784243509416
Energy: 0.8772090412797348
Energy: 0.7831784243509416
Energy: 0.9202516493108086
Energy: 0.788275736790762
Energy: 0.9044439207474619
Energy: 0.7882757367897021
Energy: 0.8711194143651471
Energy: 0.7818843174893619
Energy: 0.9091829945267031
Energy: 0.7818843174893619
Energy: 0.9062531493376615
Energy: 0.7976004763264989
Energy: 0.91457538453715
Energy: 0.797600476325439
Energy: 0.9024235732673712
Energy: 0.782063257069673
Energy: 0.9061947321067765
Energy: 0.782063257069673

minimum gb energy = 0.7816507004013226 eV
minimum distance =  2.31690078615697 Angstroms
sigma value = 85


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

Energy: 0.9513543326369336
Energy: 0.7585907280722852
Energy: 1.0754552156902024
Energy: 0.758590728071366
Energy: 0.8296617165821575
Energy: 0.7607680992594753
Energy: 0.8352609094933771
Energy: 0.760768099258556
Energy: 0.8283776095724097
Energy: 0.7569376836041534
Energy: 0.9150087160504202
Energy: 0.756937683603234
Energy: 0.8222602606474919
Energy: 0.7583515059228751
Energy: 0.8352872233323215
Energy: 0.7583515059228751
Energy: 0.8976899988001338
Energy: 0.7242210835681907
Energy: 0.8284611408214209
Energy: 0.7242210835681907
Energy: 0.8222912171065045
Energy: 0.6706829259129415
Energy: 0.8297343541321086
Energy: 0.6706829259129415
Energy: 0.8416966881310072
Energy: 0.7256084524893431
Energy: 0.877009123579195
Energy: 0.7256084524884238
Energy: 0.8324368131566235
Energy: 0.7691931606485138
Energy: 0.8295319984771106
Energy: 0.7691931606485138
Energy: 0.8816858122054169
Energy: 0.7078400051576995
Energy: 0.8572818644867077
Energy: 0.7078400051586189
Energy: 0.8325673848596669
Energy: 0.7817935173201583
Energy: 0.836149289073994
Energy: 0.7817935173201583
Energy: 0.8175760376955523
Energy: 0.7078424293832097
Energy: 0.8687413165887781
Energy: 0.7078424293822903
Energy: 0.8525360131252329
Energy: 0.7214590295513739
Energy: 0.8356252402540458
Energy: 0.7214590295513739
Energy: 0.8411024919189615
Energy: 0.7080939913581776
Energy: 0.834697560900846
Energy: 0.708093991357258
Energy: 0.8522921542092764
Energy: 0.7528066169172155
Energy: 0.8509978713243954
Energy: 0.7528066169172155
Energy: 0.8140374378218452
Energy: 0.7080416606900858
Energy: 0.8451494775695093
Energy: 0.7080416606891665
Energy: 0.8463032681131655
Energy: 0.7520163175037868
Energy: 0.8508699474187048
Energy: 0.7520163175056255
Energy: 0.8178178680705142
Energy: 0.7078954139825983
Energy: 0.8343597565849638
Energy: 0.7078954139825983
Energy: 0.852047388618312
Energy: 0.751743851102285
Energy: 0.8507934176219377
Energy: 0.7517438511032044
Energy: 0.8298479703471239
Energy: 0.7079209339883357
Energy: 0.8400046724303419
Energy: 0.7079209339883357
Energy: 0.8175669176593452
Energy: 0.7208705975206291
Energy: 0.8497401966868109
Energy: 0.7208705975197096
Energy: 0.8166271931023715
Energy: 0.7079050263996739
Energy: 0.807216672703693
Energy: 0.7079050263996739
Energy: 0.8329161002431705
Energy: 0.7226673142119396
Energy: 0.8363398334281648
Energy: 0.7226673142119396
Energy: 0.8124031495150986
Energy: 0.7073638690098298
Energy: 0.8547888194964243
Energy: 0.7073638690098298
Energy: 0.8326175335887747
Energy: 0.7685416245294308
Energy: 0.8251538271627643
Energy: 0.7685416245294308
Energy: 0.8445298460141321
Energy: 0.7248256902425458
Energy: 0.8121841528635563
Energy: 0.7248256902425458
Energy: 0.8223615954886931
Energy: 0.7611808576946086
Energy: 0.82963317465274
Energy: 0.7611808576946086
Energy: 0.830875678364181
Energy: 0.7240759808094489
Energy: 0.8291566786993296
Energy: 0.7240759808094489
Energy: 0.8416304022450973
Energy: 0.764335319276497
Energy: 0.8160475389362843
Energy: 0.764335319276497
Energy: 0.826779627018125
Energy: 0.7568099147313235
Energy: 0.8296812102308936
Energy: 0.7568099147313235
Energy: 0.812538132498273
Energy: 0.7604871850334849
Energy: 0.8351661535295676
Energy: 0.7604871850325654
Energy: 0.864317593221245
Energy: 0.7585637758851015
Energy: 0.8306704346919093
Energy: 0.7585637758851015
Energy: 0.8626076799222758
Energy: 0.726311121144033
Energy: 0.8158477575927928
Energy: 0.7263111211431136
Energy: 0.826753378571554
Energy: 0.7568417892596934
Energy: 0.8296953396211991
Energy: 0.7568417892596934
Energy: 0.8222547423126928
Energy: 0.7074698571614942
Energy: 0.8353091570204946
Energy: 0.7074698571624135
Energy: 0.830884522393535
Energy: 0.724106663230216
Energy: 0.8305217481381595
Energy: 0.724106663230216
Energy: 0.841586765820855
Energy: 0.7058499471790928
Energy: 0.8252574417731317
Energy: 0.7058499471790928
Energy: 0.8417614781580597
Energy: 0.7247344177777776
Energy: 0.8111634848888735
Energy: 0.7247344177777776
Energy: 0.8331324390723059
Energy: 0.707191662597747
Energy: 0.8297044644693511
Energy: 0.707191662597747
Energy: 0.8124813278272719
Energy: 0.7075080448935755
Energy: 0.8546001369948498
Energy: 0.7075080448944948
Energy: 0.8351876672005903
Energy: 0.7070519111005397
Energy: 0.8499011026378007
Energy: 0.7070519111005397
Energy: 0.8148740630783294
Energy: 0.7073787635043653
Energy: 0.8071748318032196
Energy: 0.7073787635043653
Energy: 0.8525186462940754
Energy: 0.722651706396468
Energy: 0.8359762748601252
Energy: 0.722651706396468
Energy: 0.8296891602132128
Energy: 0.7065801406626754
Energy: 0.8369639110033444
Energy: 0.7065801406626754

minimum gb energy = 0.6706829259129415 eV
minimum distance =  2.32514000511861 Angstroms
sigma value = 113


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

Energy: 0.014950600570420405
Energy: 0.015169646253297154
Energy: 1.3319289342911365
Energy: 0.015169646253297154
Energy: 0.015606214380836673
Energy: 0.6811032349913765
Energy: 0.015606214381504181
Energy: 0.6811032349920833
Energy: 1.3319289342911365
Energy: 0.015169646253297154
Energy: 0.014950600570420405
Energy: 0.015169646253297154
Energy: 0.015606214381504181
Energy: 0.6811032349920833
Energy: 0.015606214380836673
Energy: 0.6811032349920833
Energy: 0.014950600570420405
Energy: 0.015169646253297154
Energy: 1.3319289342911365
Energy: 0.015169646253297154
Energy: 0.015606214380836673
Energy: 0.6811032349927899
Energy: 0.015606214381504181
Energy: 0.6811032349927899

minimum gb energy = 0.014950600570420405 eV
minimum distance =  2.4580284085305 Angstroms
sigma value = 1