Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538
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: 0.010149708419998384
Energy: 0.37815113647952886
Energy: 0.22240807728993975
Energy: 0.3782300116476701
Energy: 0.010149708419998384
Energy: 0.37815113647853704
Energy: 0.2224080772901201
Energy: 0.4312681140541502
Energy: 0.010362597342301898
Energy: 0.1990531848627336
Energy: 0.010319280433153144
Energy: 0.43126811405376697
Energy: 0.010362597344082765
Energy: 0.19905318486194462
Energy: 0.010149708420201266
Energy: 0.37815113647993465
Energy: 0.22240807728993975
Energy: 0.37823001164787295
Energy: 0.010149708420201266
Energy: 0.3781511364783567
Energy: 0.22240807729072876
Energy: 0.4312681140539699
Energy: 0.010362597342301898
Energy: 0.19905318486293647
Energy: 0.01031928043295026
Energy: 0.4312681140535641
Energy: 0.010362597344082765
Energy: 0.19905318486174176
Energy: 0.010149708420201266
Energy: 0.37815113647993465
Energy: 0.2224080772901201
Energy: 0.3782300116476701
Energy: 0.010149708420201266
Energy: 0.37815113647853704
Energy: 0.2224080772901201
Energy: 0.4312681140539699
Energy: 0.010362597342301898
Energy: 0.1990531848627336
Energy: 0.01031928043295026
Energy: 0.4312681140535641
Energy: 0.01036259734428565
Energy: 0.19905318486174176

minimum gb energy = 0.010149708419998384 eV
minimum distance =  2.85217373888462 Angstroms
sigma value = 5


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

Energy: 0.9608861620969152
Energy: 0.9000120284532821
Energy: 0.8958147892481396
Energy: 0.8999447140429503
Energy: 0.9608861621029962
Energy: 0.900012028450374
Energy: 0.8958147892428079
Energy: 0.8941766525674109
Energy: 0.8858347197144142
Energy: 0.9150903455020671
Energy: 0.9010971478648504
Energy: 0.894176652574417
Energy: 0.8858347197180715
Energy: 0.9150903455003486
Energy: 0.8999106215545393
Energy: 0.902399529316379
Energy: 0.8902127456775809
Energy: 0.8988114947925309
Energy: 0.8999106215601356
Energy: 0.9023995293132504
Energy: 0.8902127457548696
Energy: 0.9321224511183527
Energy: 0.9144887407342062
Energy: 0.9114219196384935
Energy: 0.9152868392690959
Energy: 0.9321224511183527
Energy: 0.914488740732752
Energy: 0.9114219196469537
Energy: 0.9143401187139971
Energy: 0.8905202996223013
Energy: 0.8885925051554497
Energy: 0.8970340112153982
Energy: 0.9143401187147021
Energy: 0.8905202996256942
Energy: 0.8885925051508671
Energy: 0.9060755227696706
Energy: 0.9120171619437012
Energy: 0.8795559472051948
Energy: 0.8909150144396218
Energy: 0.9060755227723146
Energy: 0.9120171619437012
Energy: 0.8795559472000833
Energy: 0.8993353274888826
Energy: 0.9181118681777876
Energy: 0.9058412301965846
Energy: 0.915166083520031
Energy: 0.8993353274917907
Energy: 0.9181118681763335
Energy: 0.9058412301924426
Energy: 0.8984586148158978
Energy: 0.8988171453867779
Energy: 0.8910689466664407
Energy: 0.8984860564883529
Energy: 0.8984586148158978
Energy: 0.8988171453862932
Energy: 0.8910689466598752
Energy: 0.880831181044029
Energy: 0.9140014801242856
Energy: 0.8833358011618108
Energy: 0.9091520083234875
Energy: 0.8808311810452628
Energy: 0.9140014801301021
Energy: 0.8833358011608414
Energy: 0.9142559350955158
Energy: 0.910231048354866
Energy: 0.9062335193752125
Energy: 0.9043820648134262
Energy: 0.914255935093577
Energy: 0.9102310483570251
Energy: 0.9062335193742431
Energy: 0.8894478656436369
Energy: 0.915653509064939
Energy: 0.8744955973157915
Energy: 0.9173418237358913
Energy: 0.8894478656494533
Energy: 0.9156535090726945
Energy: 0.8744955973179946
Energy: 0.923016056303474
Energy: 0.9083149122499982
Energy: 0.8941460523268869
Energy: 0.893164761871473
Energy: 0.9230160563058977
Energy: 0.9083149122606616
Energy: 0.8941460523322187
Energy: 0.9205355597848695
Energy: 0.9227493394995764
Energy: 0.9227184106352596
Energy: 0.9159743798910773
Energy: 0.920535559786588
Energy: 0.9227493395044235
Energy: 0.9227184106451741
Energy: 0.8867433849152762
Energy: 0.8797347772563455
Energy: 0.9065135500058592
Energy: 0.9025142431195904
Energy: 0.886743384902894
Energy: 0.8797347772558608
Energy: 0.9065135500152888
Energy: 0.9088444668085115
Energy: 0.9085471269980079
Energy: 0.9040528313741568
Energy: 0.9100562855988334
Energy: 0.9088444668094808
Energy: 0.9085471270011806
Energy: 0.9040528313731875
Energy: 0.8928038370363384
Energy: 0.9060880110891956
Energy: 0.8941625507813281
Energy: 0.911317305701267
Energy: 0.8928038370363384
Energy: 0.9060880111008286
Energy: 0.8941625507825619
Energy: 0.9069276625200494
Energy: 0.9075813641155804
Energy: 0.8799292904921268
Energy: 0.9235929149716917
Energy: 0.9069276625205343
Energy: 0.9075813641083099
Energy: 0.879929290499177
Energy: 0.8984032862758103
Energy: 0.889554519504478
Energy: 0.8951979369660197
Energy: 0.9083097303494467
Energy: 0.8984032862825964
Energy: 0.8895545195006003
Energy: 0.8951979369657993
Energy: 0.9090210536192974
Energy: 0.9095017231376097
Energy: 0.8897979618956926
Energy: 0.914014809226671
Energy: 0.9090210536195179
Energy: 0.90950172312959
Energy: 0.8897979618961771
Energy: 0.9139133486379215
Energy: 0.8899454166207652
Energy: 0.8959735692765524
Energy: 0.8959432207790851
Energy: 0.9139133486318406
Energy: 0.8899454166244226
Energy: 0.8959735692714409
Energy: 0.899379651013075
Energy: 0.9154388427586315
Energy: 0.8838889572267996
Energy: 0.9138124066916397
Energy: 0.8993796510106956
Energy: 0.9154388427576622
Energy: 0.8838889572352598
Energy: 0.8988700776052491
Energy: 0.9094591663593841
Energy: 0.8912620333237031
Energy: 0.9086628933842199
Energy: 0.8988700776125195
Energy: 0.9094591663615872
Energy: 0.8912620333203102
Energy: 0.9062567834163066
Energy: 0.8994033508559404
Energy: 0.8976673926202232
Energy: 0.8988424203774065
Energy: 0.9062567834194352
Energy: 0.8994033508537813
Energy: 0.8976673926260397
Energy: 0.8911493655042245
Energy: 0.889873478456738
Energy: 0.8935521556122732
Energy: 0.8879684260359252
Energy: 0.8911493655129492
Energy: 0.8898734784651984
Energy: 0.8935521556144324
Energy: 0.9161099936618232
Energy: 0.911655978078113
Energy: 0.9381065445420742
Energy: 0.9119934775241318
Energy: 0.9161099936482514
Energy: 0.911655978078818
Energy: 0.9381065445435284
Energy: 0.9070890453976174
Energy: 0.908019482693569
Energy: 0.9243133962772212
Energy: 0.8999212935555465
Energy: 0.9070890453964277
Energy: 0.9080194826923353
Energy: 0.9243133962808345
Energy: 0.9521344893215309
Energy: 0.8909918705017963
Energy: 0.9006229066823586
Energy: 0.8753246513838103
Energy: 0.9521344893241747
Energy: 0.8909918705010472
Energy: 0.9006229066920528
Energy: 0.9338496763492629
Energy: 0.9312981255441507
Energy: 0.8970005612079671
Energy: 0.9441617656218202
Energy: 0.9338496763480733
Energy: 0.9312981255332669
Energy: 0.897000561212814
Energy: 0.9011532268915996
Energy: 0.8897453776418022
Energy: 0.870917399690991
Energy: 0.8910916861884766
Energy: 0.9011532268852984
Energy: 0.8897453776386296
Energy: 0.870917399690991
Energy: 0.8934531796662888
Energy: 0.900126421251946
Energy: 0.9322044441056673
Energy: 0.9076785414020333
Energy: 0.8934531796696817
Energy: 0.9001264212514614
Energy: 0.9322044441141716
Energy: 0.9146913911979127
Energy: 0.9214520740131691
Energy: 0.8918833329150693
Energy: 0.9165381951830105
Energy: 0.9146913911877338
Energy: 0.9214520740155926
Energy: 0.8918833329116764
Energy: 0.8986251201231277
Energy: 0.8974256455153371
Energy: 0.9000981685175562
Energy: 0.8807594499630592
Energy: 0.8986251201250663
Energy: 0.8974256455146321
Energy: 0.9000981685238573
Energy: 0.9151534513042361
Energy: 0.9104988580063059
Energy: 0.9060271539402491
Energy: 0.8994902477854031
Energy: 0.915153451299389
Energy: 0.9104988580065263
Energy: 0.893180882427401
Energy: 0.9167976063027949
Energy: 0.8989470612586268
Energy: 0.8899233835348896
Energy: 0.8985104998775335
Energy: 0.916797606311035
Energy: 0.8989470612496376
Energy: 0.8899233835346253
Energy: 0.8996174040369009
Energy: 0.8997285357109364
Energy: 0.8839200459995136
Energy: 0.9050712944422218
Energy: 0.8996174040475645
Energy: 0.8997285357104517
Energy: 0.8839200460038759
Energy: 0.9139250646296562
Energy: 0.9101515891620535
Energy: 0.9000466282337714
Energy: 0.9042652763157745
Energy: 0.9139250646345033
Energy: 0.9101515891565015
Energy: 0.9000466282308631
Energy: 0.8811420755971239
Energy: 0.9141085162538924
Energy: 0.8899144834590783
Energy: 0.9094430409080452
Energy: 0.8811420755879145
Energy: 0.914108516256316
Energy: 0.889914483460268
Energy: 0.8921102548888328
Energy: 0.9054748124696976
Energy: 0.8971663071913967
Energy: 0.8900691550515244
Energy: 0.892110254895134
Energy: 0.9054748124745448
Energy: 0.897166307190912
Energy: 0.906860854527428
Energy: 0.9320940463912312
Energy: 0.8798741426228267
Energy: 0.9162102662615661
Energy: 0.9068608545240351
Energy: 0.9320940463931701
Energy: 0.8798741426048927
Energy: 0.8881508550203026
Energy: 0.8779288447567063
Energy: 0.8951543328083459
Energy: 0.8997088430446868
Energy: 0.8881508550118422
Energy: 0.8779288447552521
Energy: 0.8951543328054375
Energy: 0.905553806733271
Energy: 0.907631861950271
Energy: 0.9140433351199372
Energy: 0.9068596270241625
Energy: 0.9055538067282035
Energy: 0.9076318619427801
Energy: 0.9140433351259739
Energy: 0.9237128146407562
Energy: 0.9009629563074381
Energy: 0.9065859243655042
Energy: 0.8807670337627092
Energy: 0.9237128146422103
Energy: 0.9009629563062482
Energy: 0.9065859243664737
Energy: 0.9204398078746854
Energy: 0.9163070072680177
Energy: 0.8879271293988147
Energy: 0.9225855249925545
Energy: 0.920439807878563
Energy: 0.9163070072651094
Energy: 0.8879271294033974
Energy: 0.9004682580725262
Energy: 0.9060226982048524
Energy: 0.8956837630091377
Energy: 0.9148452464431321
Energy: 0.9004682580577207
Energy: 0.9060226982029136
Energy: 0.8956837630096225
Energy: 0.8811768904879071
Energy: 0.9158222865441353
Energy: 0.8919522019850745
Energy: 0.9141632626778221
Energy: 0.8811768904881273
Energy: 0.9158222865468233
Energy: 0.891952201981902
Energy: 0.9139355842496812
Energy: 0.9146348150877243
Energy: 0.8952458673863856
Energy: 0.9141007604952746
Energy: 0.9139355842506507
Energy: 0.9146348150739322
Energy: 0.895245867383213
Energy: 0.8808650097384597
Energy: 0.9141413708441385
Energy: 0.9002224876434876
Energy: 0.9088300591345335
Energy: 0.8808650097456862
Energy: 0.9141413708407456
Energy: 0.9002224876388608

minimum gb energy = 0.870917399690991 eV
minimum distance =  2.54453547210427 Angstroms
sigma value = 401


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

Energy: 0.9190977982000696
Energy: 0.949202281448312
Energy: 0.9029871460206611
Energy: 0.9424076007616619
Energy: 0.9190977981978689
Energy: 0.9492022814472115
Energy: 0.9029871460214864
Energy: 0.9006892836308888
Energy: 0.9502184328411775
Energy: 0.9236405996871327
Energy: 0.9303507113782951
Energy: 0.9006892836361157
Energy: 0.9502184328406275
Energy: 0.9236405996884832
Energy: 0.8945368863062357
Energy: 0.9427619187625823
Energy: 0.9243187473721634
Energy: 0.9298835133895004
Energy: 0.8945368863032097
Energy: 0.9427619187581808
Energy: 0.9243187473743641
Energy: 0.8901975148889977
Energy: 0.9496436327126865
Energy: 0.9234134957282848
Energy: 0.8957831163905282
Energy: 0.8901975148862468
Energy: 0.9496436327124114
Energy: 0.9234134957299355
Energy: 0.8904282318056039
Energy: 0.9423429142087826
Energy: 0.9224630958183264
Energy: 0.9188414262075456
Energy: 0.8904282318078046
Energy: 0.9423429142087826
Energy: 0.9224630958166757
Energy: 0.8944274091954948
Energy: 0.9298782039937938
Energy: 0.9167726602660101
Energy: 0.9396663303887701
Energy: 0.8944274091985209
Energy: 0.9298782039929686
Energy: 0.9167726602701367
Energy: 0.8955291183409758
Energy: 0.9116573039113623
Energy: 0.8984457430697802
Energy: 0.9142789963733313
Energy: 0.8955291183462026
Energy: 0.9116573039127379
Energy: 0.8984457430700552
Energy: 0.8954558990780649
Energy: 0.9160196986721424
Energy: 0.9076133710638863
Energy: 0.9142879812265948
Energy: 0.8954558990788901
Energy: 0.916019698673518
Energy: 0.8971241719439343
Energy: 0.8944480731060358
Energy: 0.9188046137183389
Energy: 0.922932534898338
Energy: 0.9493893550452139
Energy: 0.89444807310356
Energy: 0.9188046137166883
Energy: 0.926179288577853
Energy: 0.8903269384061845
Energy: 0.922437148952489
Energy: 0.9687928513784231
Energy: 0.94856415425211
Energy: 0.89032693840756
Energy: 0.922437148954965
Energy: 0.9664402765195786
Energy: 0.8903259692539668
Energy: 0.9396426131850363
Energy: 0.9221652672169431
Energy: 0.9481380883992525
Energy: 0.8903259692506906
Energy: 0.9396426131828356
Energy: 0.9221652672188687
Energy: 0.8945705101955832
Energy: 0.923487540991342
Energy: 0.9431611795642284
Energy: 0.9503594800599776
Energy: 0.8945705101933824
Energy: 0.9234875409880409
Energy: 0.9259868721478771
Energy: 0.9129258631533906
Energy: 0.9388788460174372
Energy: 0.9367044469046595
Energy: 0.9533917646331747
Energy: 0.9129258631591677
Energy: 0.9388788460221138
Energy: 0.9227932959997013
Energy: 0.920156120833781
Energy: 0.9492022814441855
Energy: 0.9029871460239622
Energy: 0.9424076007622122
Energy: 0.920156120833781
Energy: 0.9492022814447356
Energy: 0.9029871460239622
Energy: 0.9006892836319892
Energy: 0.9502184328411775
Energy: 0.9236405996887582
Energy: 0.9247203968524306
Energy: 0.9006892836388667
Energy: 0.9502184328420028
Energy: 0.9236405996901337
Energy: 0.8945368863054105
Energy: 0.9427619187625823
Energy: 0.9243187473732637
Energy: 0.9298835133897754
Energy: 0.8945368863045853
Energy: 0.9427619187609317
Energy: 0.9243187473773902
Energy: 0.8901975148900981
Energy: 0.9534530856569114
Energy: 0.9234134957310359
Energy: 0.8957831163880524
Energy: 0.8901975148865218
Energy: 0.9534530856511344
Energy: 0.923413495731586
Energy: 0.8904282318050537
Energy: 0.9422855528025678
Energy: 0.9224630958166757
Energy: 0.9188414262067204
Energy: 0.8904282318067042
Energy: 0.9422855527981663
Energy: 0.9224630958164006
Energy: 0.8944243372068366
Energy: 0.9298782039926935
Energy: 0.8972449815393451
Energy: 0.9396663303901457
Energy: 0.8944243372038105
Energy: 0.9298782039951694
Energy: 0.9167726602717872
Energy: 0.8953657390930566
Energy: 0.911657303909987
Energy: 0.9101806527263221
Energy: 0.9142789963747067
Energy: 0.8953657390963579
Energy: 0.9116573039135633
Energy: 0.9101806527235711
Energy: 0.8953756926607591
Energy: 0.9160196986732428
Energy: 0.9076133710636112
Energy: 0.9142235049834961
Energy: 0.8953756926599338
Energy: 0.9160196986757188
Energy: 0.8971241719436592
Energy: 0.8944480731065861
Energy: 0.9188046137158631
Energy: 0.9229325348991633
Energy: 0.9493893550441135
Energy: 0.8944480731024596
Energy: 0.9188046137155879
Energy: 0.9261362718638724
Energy: 0.8903269384056345
Energy: 0.9224371489502883
Energy: 0.9691961890849297
Energy: 0.9485641542501843
Energy: 0.8903269384067348
Energy: 0.9224371489505634
Energy: 0.9664402765220547
Energy: 0.8903259692542419
Energy: 0.928904399941566
Energy: 0.9221652672147672
Energy: 0.9481380883965016
Energy: 0.8903259692512409
Energy: 0.9289043999437668
Energy: 0.922165267217218
Energy: 0.8946156242787341
Energy: 0.9234875409924426
Energy: 0.9255446121869152
Energy: 0.9503594800591523
Energy: 0.8946156242751578
Energy: 0.9234875409896915
Energy: 0.9222209522949469
Energy: 0.9060821461515967
Energy: 0.938878846016887
Energy: 0.9227932959939242
Energy: 0.9533917646326245
Energy: 0.9060821461518715
Energy: 0.938878846022664
Energy: 0.9227932959969504
Energy: 0.9190977982008949
Energy: 0.9492022814466614
Energy: 0.9029871460217616
Energy: 0.9424076007655132
Energy: 0.9190977982006198
Energy: 0.9492022814463863
Energy: 0.9029871460212112
Energy: 0.9006892836314389
Energy: 0.9502184328420028
Energy: 0.9236405996876578
Energy: 0.9303507113747187
Energy: 0.9006892836377662
Energy: 0.9502184328433783
Energy: 0.9236405996873828
Energy: 0.8945368863056856
Energy: 0.9427619187631324
Energy: 0.9243187473724385
Energy: 0.9298835133875748
Energy: 0.8945368863032097
Energy: 0.942761918761482
Energy: 0.9243187473771151
Energy: 0.8901975148895478
Energy: 0.9496436327102106
Energy: 0.9234134957282848
Energy: 0.8957831163872272
Energy: 0.8901975148865218
Energy: 0.9496436327115861
Energy: 0.9234134957326864
Energy: 0.8904282318050537
Energy: 0.9423429142120838
Energy: 0.9224630958153003
Energy: 0.9188414262080958
Energy: 0.8904282318069794
Energy: 0.9423429142079572
Energy: 0.9224630958141999
Energy: 0.8944274091957699
Energy: 0.9298782039924184
Energy: 0.893282437973793
Energy: 0.9396663303901457
Energy: 0.8944274091990709
Energy: 0.9298782039968199
Energy: 0.9167726602715122
Energy: 0.895529118332998
Energy: 0.911657303910262
Energy: 0.9043365951629426
Energy: 0.914278996375257
Energy: 0.895529118330522
Energy: 0.9116573039124628
Energy: 0.9043365951610169
Energy: 0.89545589907834
Energy: 0.9160196986702168
Energy: 0.9076133710638863
Energy: 0.9142879812254943
Energy: 0.8954558990797155
Energy: 0.916019698673518
Energy: 0.9076133710553583
Energy: 0.8944480731057607
Energy: 0.9188046137175137
Energy: 0.9261792885800537
Energy: 0.9493893550419127
Energy: 0.8944480731021845
Energy: 0.9188046137172385
Energy: 0.9261792885759271
Energy: 0.8903269384050841
Energy: 0.9224371489519387
Energy: 0.9664402765206791
Energy: 0.9485641542512847
Energy: 0.8903269384059095
Energy: 0.922437148952489
Energy: 0.9664402765223298
Energy: 0.8903259692550672
Energy: 0.93964261318146
Energy: 0.9221652672155926
Energy: 0.9481380883998028
Energy: 0.8903259692512409
Energy: 0.9396426131822853
Energy: 0.9221652672183185
Energy: 0.8945705101942077
Energy: 0.9234875409918922
Energy: 0.9222209522946718
Energy: 0.9503594800597025
Energy: 0.8945705101936576
Energy: 0.9234875409891413
Energy: 0.9222209522957723
Energy: 0.9129258631531155
Energy: 0.9388788460157866
Energy: 0.9227932959939242
Energy: 0.9533917646301486
Energy: 0.9129258631561417
Energy: 0.9388788460221138
Energy: 0.9227932959972255
Energy: 0.9201561208343312
Energy: 0.949202281448312
Energy: 0.9029871460212112
Energy: 0.942407600761937
Energy: 0.9201561208332308
Energy: 0.9492022814466614
Energy: 0.9029871460228619
Energy: 0.900689283631164
Energy: 0.9502184328420028
Energy: 0.9236405996876578
Energy: 0.9247203968538061
Energy: 0.9006892836377662
Energy: 0.9502184328417278
Energy: 0.9236405996884832

minimum gb energy = 0.8901975148862468 eV
minimum distance =  2.59269270931084 Angstroms
sigma value = 311


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

Energy: 0.9821134481727056
Energy: 0.9232738105116581
Energy: 0.9786807190514345
Energy: 0.9232618132031787
Energy: 0.9821134481765175
Energy: 0.9232738105068933
Energy: 0.9850457043000215
Energy: 0.958827578398157
Energy: 0.9120094257462156
Energy: 0.9360743726009276
Energy: 0.9340586562242738
Energy: 0.9588275783975218
Energy: 0.9120094257436743
Energy: 0.9360743725977511
Energy: 0.8958093630937173
Energy: 0.925375846175978
Energy: 0.997531406436993
Energy: 0.9266025712685618
Energy: 0.8958093630962585
Energy: 0.9253758461778839
Energy: 0.9743541740894874
Energy: 0.9230066372318684
Energy: 0.9322981638059394
Energy: 0.9175758782832855
Energy: 0.9008059144043565
Energy: 0.9230066372296448
Energy: 0.9322981638030806
Energy: 0.9175758782842385
Energy: 0.9737965980646848
Energy: 0.9255665493292067
Energy: 0.945890947778882
Energy: 0.8952467707012279
Energy: 0.9737965980618258
Energy: 0.9255665493288889
Energy: 0.9323079773517997
Energy: 0.9226546633150284
Energy: 0.9210557029761801
Energy: 0.9107469400583632
Energy: 0.9099691006122445
Energy: 0.922654663313758
Energy: 0.921055702977133
Energy: 0.9107469400596339
Energy: 0.9739737826696327
Energy: 0.9227987396487868
Energy: 0.9166677639955839
Energy: 0.9492731653153827
Energy: 0.9739737826693151
Energy: 0.9227987396484691
Energy: 0.9166677639959014
Energy: 0.9227839255860691
Energy: 0.9341837197741313
Energy: 0.940796339183978
Energy: 0.9330343875045749
Energy: 0.9227839255854339
Energy: 0.9341837197719078
Energy: 0.9407963391842956
Energy: 0.9741153732439203
Energy: 0.9327042323056622
Energy: 0.9483541582509669
Energy: 0.9358468806273406
Energy: 0.9741153732426495
Energy: 0.9327042323059799
Energy: 0.9241295997532538
Energy: 0.9190181332754264
Energy: 0.9353043809048106
Energy: 0.9836473823897699
Energy: 0.9235495079373677
Energy: 0.9190181332741557
Energy: 0.9353043809067166
Energy: 0.983647382387864
Energy: 0.9737508788715011
Energy: 0.9429733189113347
Energy: 0.929162169879135
Energy: 0.9011079233409456
Energy: 0.9737508788730894
Energy: 0.9429733189110171
Energy: 0.9291621698784996
Energy: 0.9472711986372137
Energy: 0.9367076182935369
Energy: 0.9543027957524964
Energy: 0.9541701258478823
Energy: 0.947271198641343
Energy: 0.9367076182922662
Energy: 0.9543027957512259
Energy: 0.9591637995540692
Energy: 0.909161826501931
Energy: 0.9542610888503862
Energy: 0.9261717820396144
Energy: 0.9591637995540692
Energy: 0.909161826501931
Energy: 0.9542610888487979
Energy: 0.9293451997631432
Energy: 0.9191491004102348
Energy: 0.9712962369812458
Energy: 0.9343909198886927
Energy: 0.9293451997644139
Energy: 0.9191491004095995
Energy: 0.9712962369825162
Energy: 0.9466030501772477
Energy: 0.9261231202220044
Energy: 0.9542655333111545
Energy: 0.9091862192813492
Energy: 0.9466030501747065
Energy: 0.926123120222322
Energy: 0.9542655333114721
Energy: 0.9473214714826887
Energy: 0.9540654856890491
Energy: 0.9542837673758608
Energy: 0.9367450769650248
Energy: 0.9473214714823711
Energy: 0.9540654856880961
Energy: 0.9542837673790374
Energy: 0.9737974732935494
Energy: 0.9214730786037884
Energy: 0.9290780476140862
Energy: 0.9430118385149898
Energy: 0.9737974732932317
Energy: 0.9214730786034707
Energy: 0.929078047615357
Energy: 0.9268448859701557
Energy: 0.9236665195021916
Energy: 0.9636895123866407
Energy: 0.9353337360632776
Energy: 0.9268448859701557
Energy: 0.9236665195050505
Energy: 0.9636895123907703
Energy: 0.9741508184675647
Energy: 0.9358524959360218
Energy: 0.9234598856892081
Energy: 0.9326762535306021
Energy: 0.9741508184697882
Energy: 0.9358524959366571
Energy: 0.9234598856892081
Energy: 0.9227874905890135
Energy: 0.9329862699410455
Energy: 0.9407460081011967
Energy: 0.9340480126747426
Energy: 0.9227874905896486
Energy: 0.9329862699400926
Energy: 0.940746008101832
Energy: 0.9739706877115932
Energy: 0.9492083822593441
Energy: 0.971116346015774
Energy: 0.9227932195565912
Energy: 0.9739706877103227
Energy: 0.9492083822622029
Energy: 0.9711163460141856
Energy: 0.9226219052780692
Energy: 0.9273918693815817
Energy: 0.9108386399447722
Energy: 0.9009980240638221
Energy: 0.9226219052761632
Energy: 0.9273918693828522
Energy: 0.9108386399466781
Energy: 0.9738648892415177
Energy: 0.8951938211914785
Energy: 0.955026342062509
Energy: 0.9255550184901161
Energy: 0.9738648892434236
Energy: 0.8951938211911609
Energy: 0.9550263420606031
Energy: 0.9426037531010653
Energy: 0.9007045603242556
Energy: 0.9176895845750644
Energy: 0.9322726839039674
Energy: 0.9426037531039098
Energy: 0.9007045603242556
Energy: 0.9176895845741114
Energy: 0.8959198940191435
Energy: 0.9208457464878271
Energy: 0.9592280707871782
Energy: 0.9451503090755379
Energy: 0.8959198940200965
Energy: 0.9208457464887801
Energy: 0.9592280707849546
Energy: 0.9350456233576123
Energy: 0.9340725998751361
Energy: 0.9360802356372041
Energy: 0.912002965581667
Energy: 0.9350456233566594
Energy: 0.9340725998745009
Energy: 0.9360802356346628
Energy: 0.9821134481768351
Energy: 0.9232738105059403
Energy: 0.9694953864177644
Energy: 0.9232618132050846
Energy: 0.9821134481746114
Energy: 0.9232738105094346
Energy: 0.9694953864174468
Energy: 0.9350172032204932
Energy: 0.9312469632610038
Energy: 0.9360743725990216
Energy: 0.9340586562264973
Energy: 0.9350172032208109
Energy: 0.9312469632597475
Energy: 0.9360743726002922
Energy: 0.8972973212534883
Energy: 0.9253758461791546
Energy: 0.9743541740885345
Energy: 0.9208302696919028
Energy: 0.8972973212522176
Energy: 0.9253758461750251
Energy: 0.9743541740875815
Energy: 0.9230066372315507
Energy: 0.9322981638033982
Energy: 0.9175758782851915
Energy: 0.9008059144056272
Energy: 0.9230066372309154
Energy: 0.9322981638062571
Energy: 0.9175758782832855
Energy: 0.9737965980624612
Energy: 0.9255665493320656
Energy: 0.9323079773559292
Energy: 0.8952467707015455
Energy: 0.9737965980643671
Energy: 0.9255665493292067
Energy: 0.9323079773517997
Energy: 0.9226546633140756
Energy: 0.9010076116464245
Energy: 0.9107469400602691
Energy: 0.9057920444783126
Energy: 0.9226546633150284
Energy: 0.9010076116461069
Energy: 0.9107469400583632
Energy: 0.9739737826680446
Energy: 0.9244786182933671
Energy: 0.9166677639959014
Energy: 0.9492731653163357
Energy: 0.9739737826709034
Energy: 0.9244786182933671
Energy: 0.9166677639962192
Energy: 0.9227839255825749
Energy: 0.9341837197738136
Energy: 0.9407963391852485
Energy: 0.9330343875055279
Energy: 0.9227839255851162
Energy: 0.9341837197734959
Energy: 0.9407963391862015
Energy: 0.9610232274302595
Energy: 0.9327042323075682
Energy: 0.9262649585232084
Energy: 0.9358468806305169
Energy: 0.9610232274296243
Energy: 0.9327042323047093
Energy: 0.9262649585279588
Energy: 0.9190181332735203
Energy: 0.9353043809076694
Energy: 0.9637261772396464
Energy: 0.9235495079373677
Energy: 0.9190181332744733
Energy: 0.9353043809060813
Energy: 0.9637261772396464

minimum gb energy = 0.8951938211911609 eV
minimum distance =  2.60864759999144 Angstroms
sigma value = 39


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

Energy: 0.9305008150637578
Energy: 0.9473575338285795
Energy: 0.9155073319818338
Energy: 0.9473914900246752
Energy: 0.9305008150633829
Energy: 0.9473575338357024
Energy: 0.9155073319837083
Energy: 0.9206311292703274
Energy: 0.8678811002956235
Energy: 0.8456561359786973
Energy: 0.868499587615189
Energy: 0.9206311292598305
Energy: 0.8678811002952486
Energy: 0.8456561359768227
Energy: 0.9305288378210271
Energy: 0.8678390041833598
Energy: 0.8703941435219968
Energy: 0.9521784305392603
Energy: 0.9305288378259007
Energy: 0.8678390041818603
Energy: 0.8703941435279952
Energy: 0.9240372215790933
Energy: 0.8678350637466884
Energy: 0.8456294469446459
Energy: 0.9183323953052484
Energy: 0.924037221579843
Energy: 0.8678350637496706
Energy: 0.8456294469468952
Energy: 0.9496483755839629
Energy: 0.9520984585975801
Energy: 0.9045192229174758
Energy: 0.9523011499847059
Energy: 0.9496483755839629
Energy: 0.9520984585960804
Energy: 0.9045192229200999
Energy: 0.9203043145397435
Energy: 0.8688730966257265
Energy: 0.8877215234151004
Energy: 0.9190580160485204
Energy: 0.9203043145360116
Energy: 0.8688730966279761
Energy: 0.8877215234177247
Energy: 1.005765869969835
Energy: 0.9520688267249241
Energy: 0.9348587279518273
Energy: 0.9521742823858681
Energy: 1.0057658699728342
Energy: 0.9520688267226748
Energy: 0.9289824200581447
Energy: 0.9203539568602898
Energy: 0.8541536193982657
Energy: 0.8880961671527032
Energy: 0.8542395315186073
Energy: 0.9203539568565409
Energy: 0.8541536194020146
Energy: 0.8880961671519533
Energy: 1.0057587972439097
Energy: 0.9521675138281341
Energy: 0.9075187685134972
Energy: 0.9521382746806671
Energy: 1.0057587972487834
Energy: 0.9521675138281341
Energy: 0.9075187685097482
Energy: 0.9202714346845122
Energy: 0.9190378100748149
Energy: 0.8877880566154073
Energy: 0.8684730708398023
Energy: 0.9202714346908855
Energy: 0.9190378100725657
Energy: 0.8877880566131581
Energy: 0.9498983359377017
Energy: 0.9524125190249484
Energy: 0.902224973272911
Energy: 0.9520928432885405
Energy: 0.9498983359448075
Energy: 0.9524125190264479
Energy: 0.9213273438293421
Energy: 0.9203162345776499
Energy: 0.9184183147777283
Energy: 0.845613643465806
Energy: 0.8678135384681
Energy: 0.9203162345817737
Energy: 0.918418314779228
Energy: 0.8456136434699298
Energy: 0.9305277057013122
Energy: 0.9521783234932318
Energy: 0.9208303082090483
Energy: 0.8678572353774262
Energy: 0.9305277057035615
Energy: 0.9521783234879834
Energy: 0.91999835184195
Energy: 0.9206413229711019
Energy: 0.8684384755531246
Energy: 0.8456572859946172
Energy: 0.8679080818528396
Energy: 0.9206413229752258
Energy: 0.8684384755527497
Energy: 0.8456572859938672
Energy: 0.9305008150641326
Energy: 0.9473575338297042
Energy: 0.915507331981084
Energy: 0.9473914900239254
Energy: 0.9305008150641326
Energy: 0.9473575338353276
Energy: 0.9155073319829585
Energy: 0.9206311292707023
Energy: 0.8678811002937491
Energy: 0.8456561359790722
Energy: 0.8684995876166886
Energy: 0.9206311292605803
Energy: 0.8678811002941239
Energy: 0.8456561359764478
Energy: 0.930528837821402
Energy: 0.8678390041826101
Energy: 0.8703941435219968
Energy: 0.9521784305392603
Energy: 0.930528837825151
Energy: 0.8678390041826101
Energy: 0.8703941435268704
Energy: 0.9240372215775935
Energy: 0.8678350637440642
Energy: 0.8456294469446459
Energy: 0.918332395303374
Energy: 0.9240372215783434
Energy: 0.8678350637455637
Energy: 0.8456294469457706
Energy: 0.9496483755809637
Energy: 0.9520984585983299
Energy: 0.9045192229159762
Energy: 0.952301149984331
Energy: 0.9496483755843377
Energy: 0.9520984585975801
Energy: 0.9045192229186004
Energy: 0.9203043145397435
Energy: 0.8688730966249768
Energy: 0.8877215234136008
Energy: 0.9190580160492702
Energy: 0.9203043145356368
Energy: 0.8688730966283509
Energy: 0.887721523416975
Energy: 1.005765869970585
Energy: 0.9520688267234246
Energy: 0.9289824200596443
Energy: 0.952174282386243
Energy: 1.0057658699728342
Energy: 0.9520688267215501
Energy: 0.9289824200585196
Energy: 0.9203539568610396
Energy: 0.8541536193978909
Energy: 0.888096167153078
Energy: 0.8542395315186073
Energy: 0.9203539568554162
Energy: 0.8541536194020146
Energy: 0.8880961671512035
Energy: 1.00575879724316
Energy: 0.9521675138273843
Energy: 0.9075187685134972
Energy: 0.9521382746817918
Energy: 1.0057587972484086
Energy: 0.9521675138288839
Energy: 0.907518768510498
Energy: 0.9202714346848871
Energy: 0.9190378100759395
Energy: 0.8877880566146575
Energy: 0.868473070840927
Energy: 0.9202714346905105
Energy: 0.9190378100733154
Energy: 0.8877880566120333
Energy: 0.9498983359395591
Energy: 0.952412519026073
Energy: 0.9213273438199698
Energy: 0.9520928432892906
Energy: 0.9498983359459323
Energy: 0.9524125190271976
Energy: 0.9213273438289673
Energy: 0.9203162345776499
Energy: 0.9184183147781032
Energy: 0.845613643465806
Energy: 0.8678135384695996
Energy: 0.9203162345802741
Energy: 0.918418314779228
Energy: 0.8456136434703048
Energy: 0.9305277057013122
Energy: 0.9521783234928569
Energy: 0.9199983518382012
Energy: 0.8678572353793007
Energy: 0.9305277057028117
Energy: 0.9521783234876084
Energy: 0.9199983518423248
Energy: 0.9206413229718517
Energy: 0.8684384755527497
Energy: 0.8456572859949921
Energy: 0.867908081851715
Energy: 0.9206413229756008
Energy: 0.8684384755519999
Energy: 0.8456572859942423
Energy: 0.9305008150637578
Energy: 0.9473575338297042
Energy: 0.9155073319807091
Energy: 0.9473914900246752
Energy: 0.9305008150633829
Energy: 0.9473575338357024
Energy: 0.9155073319833333
Energy: 0.9206311292699525
Energy: 0.8678811002944988
Energy: 0.8456561359790722
Energy: 0.8684995876159387
Energy: 0.9206311292598305
Energy: 0.8678811002948738
Energy: 0.8456561359768227

minimum gb energy = 0.845613643465806 eV
minimum distance =  2.5824434139232 Angstroms
sigma value = 21


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

Energy: 0.9852589185692626
Energy: 0.9060877017277836
Energy: 0.9347453719081593
Energy: 0.9065545310495386
Energy: 0.9852589185678974
Energy: 0.9060877017264184
Energy: 0.9347453719058838
Energy: 0.9655547931349402
Energy: 0.9137904301991817
Energy: 0.817381786374941
Energy: 0.9137586414024096
Energy: 0.9655547931340299
Energy: 0.9137904301982716
Energy: 0.8173817863726655
Energy: 0.9635596612928384
Energy: 0.8912974086035059
Energy: 0.8754586221027286
Energy: 0.9150190802695465
Energy: 0.9635596612919283
Energy: 0.8912974086025957
Energy: 0.8754586221013633
Energy: 0.9703776129997372
Energy: 0.9137014045585641
Energy: 0.866139453309052
Energy: 0.9082019820863282
Energy: 0.9703776130006475
Energy: 0.9137014045612946
Energy: 0.8661394533076866
Energy: 0.923601762088671
Energy: 0.8694781573311597
Energy: 0.8964766353729572
Energy: 0.9280907284773792
Energy: 0.9236017620909466
Energy: 0.8694781573293393
Energy: 0.896476635372047
Energy: 0.9704399368241341
Energy: 0.9383289198509138
Energy: 0.9793687765685962
Energy: 0.9086578112214587
Energy: 0.9704399368245892
Energy: 0.9383289198518241
Energy: 0.979368776567686
Energy: 0.9515579265315673
Energy: 0.8692728138285657
Energy: 0.930193196879124
Energy: 0.9289712739980102
Energy: 0.9515579265311123
Energy: 0.8692728138267453
Energy: 0.9301931968773037
Energy: 0.9399264788348963
Energy: 0.9125127506358721
Energy: 0.9793700731307668
Energy: 0.9085601329405083
Energy: 0.9399264788339862
Energy: 0.9125127506363272
Energy: 0.9793700731294015
Energy: 0.9511385429093817
Energy: 0.9089777297483209
Energy: 0.8859914823748987
Energy: 0.9244667033085173
Energy: 0.9511385429080166
Energy: 0.9089777297492311
Energy: 0.8859914823744436
Energy: 0.9549159320134599
Energy: 0.9206871288182218
Energy: 0.8541620333786953
Energy: 0.9083445671253619
Energy: 0.9549159320134599
Energy: 0.9206871288223177
Energy: 0.8541620333768749
Energy: 0.9342180159699086
Energy: 0.9155145062796876
Energy: 0.9184969408955328
Energy: 0.9145790901079173
Energy: 0.9342180159703636
Energy: 0.9155145062774122
Energy: 0.9184969408978083
Energy: 0.8677513545227371
Energy: 0.9206082907779907
Energy: 0.8711909610188279
Energy: 0.868021014620619
Energy: 0.8677513545231923
Energy: 0.9206082907784457
Energy: 0.8711909610183728
Energy: 0.9714786026410082
Energy: 0.9156446155880918
Energy: 0.9091059879256465
Energy: 0.9074184331815227
Energy: 0.9714786026432838
Energy: 0.9156446155903673
Energy: 0.9091059879256465
Energy: 0.8679262153772973
Energy: 0.9204206358286946
Energy: 0.9122406776773649
Energy: 0.8683410729600533
Energy: 0.8679262153791178
Energy: 0.9204206358282395
Energy: 0.9122406776741793
Energy: 0.9692865903308555
Energy: 0.8817698404954991
Energy: 0.8661029798769805
Energy: 0.9081169078568662
Energy: 0.9692865903335861
Energy: 0.8817698404973195
Energy: 0.8661029798769805
Energy: 0.8680044344609806
Energy: 0.9433668652762762
Energy: 0.9122604532235195
Energy: 0.9164954247062727
Energy: 0.8680044344605257
Energy: 0.9433668652762762
Energy: 0.9122604532235195
Energy: 0.969407031840548
Energy: 0.8818318816378017
Energy: 0.9088431099226166
Energy: 0.9080910885033597
Energy: 0.9694070318391826
Energy: 0.8818318816368914
Energy: 0.9088431099217066
Energy: 0.8680202244237943
Energy: 0.9198629328645139
Energy: 0.9016984110628433
Energy: 0.9896964687700345
Energy: 0.8680202244237943
Energy: 0.9198629328604181
Energy: 0.9016984110605677
Energy: 0.985645210256923
Energy: 0.8817059941153061
Energy: 0.9794895162415742
Energy: 0.9080255015981906
Energy: 0.9856452102573781
Energy: 0.8817059941166715
Energy: 0.9794895162397537
Energy: 0.8680311469200849
Energy: 0.963397650479023
Energy: 0.8892745795534768
Energy: 0.9633077330060836
Energy: 0.8680311469214502
Energy: 0.9633976504781129
Energy: 0.8892745795516566
Energy: 0.9856277581754898
Energy: 0.9080648834985814
Energy: 0.9794531760105392
Energy: 0.8816728203958609
Energy: 0.9856277581736693
Energy: 0.9080648834985814
Energy: 0.9794531760087186
Energy: 0.8680217776390395
Energy: 0.9897704084259192
Energy: 0.9018217301021172
Energy: 0.9197597471440442
Energy: 0.8680217776394946
Energy: 0.9897704084254639
Energy: 0.9018217301030275
Energy: 0.9694133880282233
Energy: 0.9080972296168509
Energy: 0.9059045796978402
Energy: 0.8817768232779714
Energy: 0.969413388026403
Energy: 0.9080972296177612
Energy: 0.9059045796964748
Energy: 0.8680074954172678
Energy: 0.916535588835951
Energy: 0.9123383396105245
Energy: 0.9432463860748145
Energy: 0.8680074954172678
Energy: 0.916535588835951
Energy: 0.912338339608704
Energy: 0.9692681445328273
Energy: 0.9081177695496945
Energy: 0.8212888448723079
Energy: 0.8817808202429321
Energy: 0.9692681445337376
Energy: 0.9081177695506047
Energy: 0.8212888448718528

minimum gb energy = 0.8173817863726655 eV
minimum distance =  2.63039331211009 Angstroms
sigma value = 113


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

Energy: 0.8744214936889884
Energy: 0.9047262866299568
Energy: 0.8335110343954201
Energy: 0.8984939034807121
Energy: 0.8744214936917822
Energy: 0.9047262866332587
Energy: 0.833511034396944
Energy: 0.9429857703562441
Energy: 0.9076020413433796
Energy: 0.8193573707116393
Energy: 0.9203332604145571
Energy: 0.942985770358022
Energy: 0.9076020413484595
Energy: 0.8193573707400864
Energy: 0.8562521328790513
Energy: 0.876786392211904
Energy: 0.8506401354574219
Energy: 0.8883120261239168
Energy: 0.8562521328747333
Energy: 0.8767863921989735
Energy: 0.8506401358545055
Energy: 0.8613969462279026
Energy: 0.8862719283576369
Energy: 0.8248870252498021
Energy: 0.8833642595358484
Energy: 0.8613969462276486
Energy: 0.8862719283573829
Energy: 0.8248870252660576
Energy: 0.8518580927880609
Energy: 0.8376107143963831
Energy: 0.833648441703584
Energy: 0.8357765280265325
Energy: 0.8518580927814802
Energy: 0.8376107143988999
Energy: 0.833648441706632
Energy: 0.8360673997597998
Energy: 0.8541161430993801
Energy: 0.8357742072080327
Energy: 0.8639628556750973
Energy: 0.8360673997585298
Energy: 0.854116143103698
Energy: 0.8357741956031554
Energy: 0.8440893008810603
Energy: 0.8378567641372913
Energy: 0.8253927454916491
Energy: 0.8346259005697813
Energy: 0.8440893008767424
Energy: 0.8378567641413551
Energy: 0.8253927454979989
Energy: 0.8333304674446528
Energy: 0.8612405225365881
Energy: 0.8995058015515911
Energy: 0.8637430500186613
Energy: 0.8333304674466848
Energy: 0.8612405225365881
Energy: 0.8995058015467653
Energy: 0.8376003875303062
Energy: 0.8490167888138642
Energy: 0.9079014797349987
Energy: 0.8341828720294043
Energy: 0.8376003875264962
Energy: 0.8490167888049744
Energy: 0.9079014797388085
Energy: 0.8343466627231468
Energy: 0.8593346036018599
Energy: 0.876417455252194
Energy: 0.8660429478539468
Energy: 0.8343466627221309
Energy: 0.8593346035998279
Energy: 0.8764174552585438
Energy: 0.8375239798190218
Energy: 0.8634717580549558
Energy: 0.8757803938944873
Energy: 0.8432438547073365
Energy: 0.837523979814196
Energy: 0.863471758054448
Energy: 0.8757803939015759
Energy: 0.8452029562413481
Energy: 0.8581519851533889
Energy: 0.8614199311070488
Energy: 0.8557122524938857
Energy: 0.8452029562426181
Energy: 0.8581519851564369
Energy: 0.8614199311042551
Energy: 0.8375092811189817
Energy: 0.8625864575300171
Energy: 0.8637335358287841
Energy: 0.8572037671019553
Energy: 0.8375092811182197
Energy: 0.8625864575320491
Energy: 0.8637335358298
Energy: 0.8598023408234864
Energy: 0.8851606878988797
Energy: 0.8644327766502496
Energy: 0.8730531636995507
Energy: 0.8598023408217085
Energy: 0.8851606878960858
Energy: 0.8644327766472018
Energy: 0.8373487765017231
Energy: 0.8725865068092094
Energy: 0.8865547580837633
Energy: 0.8727090459280796
Energy: 0.8373487764994371
Energy: 0.8725865068069234
Energy: 0.8865547580893511
Energy: 0.8597720681253592
Energy: 0.8584016176534033
Energy: 0.8646525462036388
Energy: 0.8487520471633878
Energy: 0.8597720681266292
Energy: 0.85840161765973
Energy: 0.864652546204909
Energy: 0.8597042167298026
Energy: 0.8622797356963885
Energy: 0.8414157091792658
Energy: 0.850179082724503
Energy: 0.8597042168095103
Energy: 0.8622797356958805
Energy: 0.8414157092140397
Energy: 0.8450654338733216
Energy: 0.8492761078646327
Energy: 0.8644975563885771
Energy: 0.839294611207849
Energy: 0.8450654338748456
Energy: 0.8492761078631089
Energy: 0.8644975563847671
Energy: 0.8595279738802524
Energy: 0.8481978013359555
Energy: 0.8508027602050487
Energy: 0.8373298190358375
Energy: 0.8595279738830462
Energy: 0.8481978013293516
Energy: 0.8508027602073347
Energy: 0.8334237271088752
Energy: 0.8536343313123802
Energy: 0.8671844370264898
Energy: 0.849864247043713
Energy: 0.8334237271053194
Energy: 0.8536343313098402
Energy: 0.8671844370290297
Energy: 0.8585919611331493
Energy: 0.8473033634032464
Energy: 0.8575421556271527
Energy: 0.8378886340709618
Energy: 0.8585919611349273
Energy: 0.8473033634057865
Energy: 0.8575421556302006
Energy: 0.833705534937032
Energy: 0.8487146969598044
Energy: 0.8362600835479785
Energy: 0.8478995267081659
Energy: 0.8337055349311902
Energy: 0.8487146969562485
Energy: 0.8362600835502645
Energy: 0.8585966593669325
Energy: 0.8770642922420528
Energy: 0.9077941884787332
Energy: 0.8528424902603556
Energy: 0.8585966593699805
Energy: 0.8770642922425609
Energy: 0.9077941884805111
Energy: 0.8348146921199412
Energy: 0.8419284231805971
Energy: 0.8952023436579524
Energy: 0.8222231231686382
Energy: 0.8348146921204491
Energy: 0.8419284231889789
Energy: 0.8952023436640483
Energy: 0.8945624959526574
Energy: 0.899565292943134
Energy: 0.8756596056022673
Energy: 0.8840074222752007
Energy: 0.8945624959498865
Energy: 0.8995652929393243
Energy: 0.8756596055966795
Energy: 0.8515056877800643
Energy: 0.8500607392489413
Energy: 0.9058014216954007
Energy: 0.8228103808633686
Energy: 0.8515056877785403
Energy: 0.850060739260625
Energy: 0.9058014216966706
Energy: 0.9818010765697306
Energy: 0.8996497719504783
Energy: 0.8526819373906116
Energy: 0.917515975466134
Energy: 0.9818010765730095
Energy: 0.8996497719484465
Energy: 0.8546905616842779
Energy: 0.8632625881729482
Energy: 0.8591852115210111
Energy: 0.899576099361769
Energy: 0.8887369172916693
Energy: 0.863262588179806
Energy: 0.8591852115245671
Energy: 0.899576099359483
Energy: 0.9804197978476674
Energy: 0.8994503129601034
Energy: 0.8332527828491217
Energy: 0.91815763318841
Energy: 0.9804197978466513
Energy: 0.8994503129621353
Energy: 0.8332527828455657
Energy: 0.8509924980643117
Energy: 0.8506398335433488
Energy: 0.8984016017101966
Energy: 0.8225078190729311
Energy: 0.8509924980643117
Energy: 0.8506398335451268
Energy: 0.8984016017277222
Energy: 0.8946742459436605
Energy: 0.9023098707532896
Energy: 0.873264087132747
Energy: 0.9069226884458602
Energy: 0.8946742459469625
Energy: 0.9023098707487176
Energy: 0.8732640871375728
Energy: 0.8632167405226664
Energy: 0.8416314082493157
Energy: 0.8535952390956392
Energy: 0.8460383911107195
Energy: 0.8632167405226664
Energy: 0.8416314082485536
Energy: 0.853595239098941
Energy: 0.8731426000517577
Energy: 0.8766323496049885
Energy: 0.8779856419453193
Energy: 0.8496486285687348
Energy: 0.8731426000532816
Energy: 0.8766323496126083
Energy: 0.8779856419559869
Energy: 0.8724485798706327
Energy: 0.8397433281444591
Energy: 0.8942802740915515
Energy: 0.8543418353837904
Energy: 0.872448579866315
Energy: 0.8397433281434432
Energy: 0.8942802740879956
Energy: 0.8729488547308571
Energy: 0.8441692015027166
Energy: 0.899267695367589
Energy: 0.8501334065513405
Energy: 0.8729488547295872
Energy: 0.8441692014981678
Energy: 0.8992676953698749
Energy: 0.8724669164606299
Energy: 0.8463839772661131
Energy: 0.8901432101848861
Energy: 0.8637645383913489
Energy: 0.8724669164591059
Energy: 0.8463839772650971
Energy: 0.8901432101846322
Energy: 0.8729414667195482
Energy: 0.8776820121588658
Energy: 0.8455324277372864
Energy: 0.8497917814649755
Energy: 0.872941466722596
Energy: 0.8776820121634377
Energy: 0.8455324275712442
Energy: 0.8659885519338395
Energy: 0.8450441420748617
Energy: 0.8703254854030109
Energy: 0.8547884457411667
Energy: 0.8659885519368874
Energy: 0.8450441420756236
Energy: 0.8703254854045348
Energy: 0.8996378680788113
Energy: 0.8767282075119498
Energy: 0.8859693662249551
Energy: 0.8460863471479277
Energy: 0.8996378680780494
Energy: 0.8767282075159906
Energy: 0.8859693662226693
Energy: 0.8695964470669012
Energy: 0.8550499999564666
Energy: 0.8708456811878637
Energy: 0.8426368219173315
Energy: 0.8695964470651233
Energy: 0.8550499999511558
Energy: 0.8708456811904035
Energy: 0.905078314796966
Energy: 0.8463332362186138
Energy: 0.8687351391249488
Energy: 0.8461132233056451
Energy: 0.9050783148002679
Energy: 0.8463332362168358
Energy: 0.8687351391320374
Energy: 0.8695617902842828
Energy: 0.8275297534395392
Energy: 0.9001684706339745
Energy: 0.8625471233414458
Energy: 0.8695617902875616
Energy: 0.8275297534420791
Energy: 0.9001684705925966
Energy: 0.8819577806120287
Energy: 0.8465060812505151
Energy: 0.8594214938083462
Energy: 0.8569074762125959
Energy: 0.8819577806153305
Energy: 0.846506081254071
Energy: 0.8594214938182518
Energy: 0.8664861934023685
Energy: 0.8587458591958241
Energy: 0.8749758154418745
Energy: 0.8570681723069709
Energy: 0.8664861933955108
Energy: 0.8587458591930301
Energy: 0.8749758153548012
Energy: 0.8462136483923478
Energy: 0.8491769860799803
Energy: 0.8595356705418093
Energy: 0.8494208377291728
Energy: 0.846213648384474
Energy: 0.8491769860721066
Energy: 0.8595356705446033

minimum gb energy = 0.8193573707116393 eV
minimum distance =  2.57685046421714 Angstroms
sigma value = 365


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

Energy: 0.7954355182238053
Energy: 0.6770772782026102
Energy: 0.8063698104331662
Energy: 0.6770772782014648
Energy: 0.7954355182249506
Energy: 0.6770772782014648
Energy: 0.8063698104325936
Energy: 0.7954355182238053
Energy: 0.6770772782008921
Energy: 1.2200337574438815
Energy: 0.6770772782031829
Energy: 0.795435518224378
Energy: 0.6770772782008921
Energy: 0.8063698104320209
Energy: 0.7954355182249506
Energy: 0.6770772782008921
Energy: 1.2200337574404454
Energy: 0.6770772782008921
Energy: 0.7954355182226599
Energy: 0.6770772782026102
Energy: 0.9008166805837643
Energy: 0.7954355182249506
Energy: 0.6770772782026102
Energy: 0.9008166805837643
Energy: 0.6770772782008921
Energy: 0.7954355182255233
Energy: 0.6770772782008921
Energy: 0.8063698104320209
Energy: 0.7954355182238053
Energy: 0.6770772782014648
Energy: 1.2200337574438815
Energy: 0.6770772782026102
Energy: 0.7954355182238053
Energy: 0.6770772782014648
Energy: 0.9008166805837643
Energy: 0.795435518224378
Energy: 0.6770772782003195
Energy: 1.2200337574415907
Energy: 0.6770772782008921
Energy: 0.7954355182249506
Energy: 0.6770772782026102
Energy: 0.9197089585498209
Energy: 0.7954355182232327
Energy: 0.6770772782026102
Energy: 0.9197089585509661
Energy: 0.6770772782014648
Energy: 0.7954355182260959
Energy: 0.6770772782014648
Energy: 0.8063698104320209
Energy: 0.7954355182238053
Energy: 0.6770772782014648
Energy: 1.2200337574444542
Energy: 0.6770772782026102
Energy: 0.7954355182238053
Energy: 0.6770772782008921
Energy: 0.9197089585515389
Energy: 0.7954355182249506
Energy: 0.6770772782008921
Energy: 1.2200337574415907
Energy: 0.6770772782014648
Energy: 0.7954355182238053
Energy: 0.6770772782031829
Energy: 0.7890329257347012
Energy: 0.795435518224378
Energy: 0.6770772782026102
Energy: 0.7890329257604579
Energy: 0.6770772782008921
Energy: 0.7954355182249506
Energy: 0.6770772782008921
Energy: 0.8063698104320209
Energy: 0.7954355182255233
Energy: 0.6770772782014648
Energy: 1.2200337574438815
Energy: 0.6770772782031829
Energy: 0.7954355182232327
Energy: 0.6770772782014648
Energy: 0.789032925723248
Energy: 0.7954355182232327
Energy: 0.6770772782003195
Energy: 0.7890329258577579
Energy: 0.6770772782008921
Energy: 0.7954355182238053
Energy: 0.6770772782031829
Energy: 1.2200337574450268
Energy: 0.795435518224378
Energy: 0.6770772782026102
Energy: 1.2200337574410183
Energy: 0.6770772782014648
Energy: 0.7954355182260959
Energy: 0.6770772782014648
Energy: 0.8063698104320209
Energy: 0.7954355182238053
Energy: 0.6770772782014648
Energy: 1.2200337574444542
Energy: 0.6770772782031829
Energy: 0.795435518224378
Energy: 0.6770772782008921
Energy: 1.2200337574410183
Energy: 0.7954355182238053
Energy: 0.6770772782008921
Energy: 0.7890329258571851
Energy: 0.6770772782014648
Energy: 0.7954355182226599
Energy: 0.6770772782031829
Energy: 1.2200337574444542
Energy: 0.7954355182226599
Energy: 0.6770772782026102
Energy: 1.2200337574410183
Energy: 0.6770772782008921
Energy: 0.7954355182266686
Energy: 0.6770772782014648
Energy: 0.8063698104325936
Energy: 0.7954355182238053
Energy: 0.6770772782014648
Energy: 1.2200337574438815
Energy: 0.6770772782031829
Energy: 0.795435518224378
Energy: 0.6770772782014648
Energy: 1.2200337574415907
Energy: 0.7954355182249506
Energy: 0.6770772782003195
Energy: 0.9197089585498209
Energy: 0.6770772782008921
Energy: 0.7954355182232327
Energy: 0.6770772782031829
Energy: 1.2200337574438815
Energy: 0.7954355182249506
Energy: 0.6770772782026102
Energy: 1.2200337574410183
Energy: 0.6770772782014648
Energy: 0.7954355182255233
Energy: 0.6770772782014648
Energy: 0.8063698104320209
Energy: 0.795435518224378
Energy: 0.6770772782008921
Energy: 1.2200337574444542
Energy: 0.6770772782031829
Energy: 0.7954355182238053
Energy: 0.6770772782008921
Energy: 1.2200337574415907

minimum gb energy = 0.6770772782003195 eV
minimum distance =  2.51756046170187 Angstroms
sigma value = 23