Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.487144187092781
cohesive_energy=4.453657130216031
mass=58.6934
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: -8.48587586902969e-25 eV

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

Energy: 0.01851956559907091
Energy: 0.018745001370958688
Energy: 1.2633925345913153
Energy: 0.018745001370958688
Energy: 0.018745001370958688
Energy: 1.292095882796404
Energy: 0.018745001370958688
Energy: 1.292095882796404
Energy: 1.2633925345913153
Energy: 0.018745001370958688
Energy: 0.01851956559907091
Energy: 0.018745001370958688
Energy: 0.018745001370958688
Energy: 1.292095882796404
Energy: 0.018745001371632746
Energy: 1.292095882796404

minimum gb energy = 0.01851956559907091 eV
minimum distance =  2.41276403072574 Angstroms
sigma value = 1


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

Energy: 1.5052236406028983
Energy: 1.5926710675564906
Energy: 1.4237985533161723
Energy: 1.5926710675564906
Energy: 1.466192203145369
Energy: 1.55192839946637
Energy: 1.4718368416213936
Energy: 1.55192839946637
Energy: 1.3999672802130878
Energy: 1.5749666133048654
Energy: 1.4468988539692196
Energy: 1.5749666133048654
Energy: 1.4349945607009198
Energy: 1.6060969714875395
Energy: 1.4189941398951151
Energy: 1.606096971488357
Energy: 1.438731197050966
Energy: 1.5946901246629481
Energy: 1.4454603385382319
Energy: 1.5946901246629481
Energy: 1.381115821207792
Energy: 1.5435904527637918
Energy: 1.3763161588644974
Energy: 1.5435904527637918
Energy: 1.4708514064874256
Energy: 1.5754108393631665
Energy: 1.3831109085017241
Energy: 1.5754108393631665
Energy: 1.2962431561289849
Energy: 1.5940436062290066
Energy: 1.373449080637952
Energy: 1.5940436062281889
Energy: 1.4208534132078872
Energy: 1.450819244055382
Energy: 1.46093465570452
Energy: 1.450819244055382
Energy: 1.3723385751544543
Energy: 1.5746928265198537
Energy: 1.287130944553254
Energy: 1.5746928265198537
Energy: 1.448684634608924
Energy: 1.5517478990834184
Energy: 1.420870784059716
Energy: 1.5517478990834184
Energy: 1.4196819510080172
Energy: 1.5940429537888543
Energy: 1.3871452833337794
Energy: 1.5940429537888543
Energy: 1.4459043388735981
Energy: 1.574374713120792
Energy: 1.4705950225820341
Energy: 1.574374713120792
Energy: 1.4459854947475619
Energy: 1.5815160316612205
Energy: 1.4102420728532838
Energy: 1.5815160316612205
Energy: 1.4495763732252418
Energy: 1.5925856778277583
Energy: 1.4451150993871953
Energy: 1.5925856778277583
Energy: 1.4488680219533883
Energy: 1.592655766841439
Energy: 1.4450364767517454
Energy: 1.592655766841439
Energy: 1.4472315151049793
Energy: 1.5749449332663517
Energy: 1.3336123539000737
Energy: 1.574944933267169
Energy: 1.4714172430110108
Energy: 1.5456796354713338
Energy: 1.4669813552443138
Energy: 1.5456796354713338
Energy: 1.374576435266921
Energy: 1.5933709289746578
Energy: 1.3874450458736869
Energy: 1.5933709289746578
Energy: 1.4662129150247556
Energy: 1.450550954887411
Energy: 1.4250400563442702
Energy: 1.450550954887411
Energy: 1.3734132393135918
Energy: 1.5746672322201836
Energy: 1.3305266901494277
Energy: 1.5746672322201836
Energy: 1.4195302789565878
Energy: 1.4576042023800733
Energy: 1.4501186871008749
Energy: 1.4576042023800733
Energy: 1.4486701668444621
Energy: 1.595035446111063
Energy: 1.366770786250227
Energy: 1.595035446111063
Energy: 1.4204498259702882
Energy: 1.5751479261907542
Energy: 1.3813456907344581
Energy: 1.5751479261907542
Energy: 1.3830219903442997
Energy: 1.541691327976168
Energy: 1.4705397190127782
Energy: 1.541691327976168
Energy: 1.4436736753652615
Energy: 1.5941798385843953
Energy: 1.3648703221063738
Energy: 1.5941798385843953
Energy: 1.443061992643511
Energy: 1.541166637932122
Energy: 1.4205600910668617
Energy: 1.5411666379329398
Energy: 1.3646065374034693
Energy: 1.5740538728221845
Energy: 1.4469498910405003
Energy: 1.5740538728221845
Energy: 1.4651490282846305
Energy: 1.5322871657567645
Energy: 1.4481917195114358
Energy: 1.532287165757582
Energy: 1.4674357304563954
Energy: 1.5928839842533713
Energy: 1.4244028265858124
Energy: 1.5928839842533713
Energy: 1.4586422581242482
Energy: 1.583922619742306
Energy: 1.4459844536917197
Energy: 1.583922619742306
Energy: 1.4251666884311758
Energy: 1.5760067368970934
Energy: 1.445950148530064
Energy: 1.5760067368970934
Energy: 1.4390538370668975
Energy: 1.6049964543341115
Energy: 1.421071649174352
Energy: 1.6049964543349289

minimum gb energy = 1.287130944553254 eV
minimum distance =  2.23201310720683 Angstroms
sigma value = 1


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

Energy: 1.6745831352464844
Energy: 1.700030235528929
Energy: 1.50900375157527
Energy: 1.700030235528929
Energy: 1.5158745935010711
Energy: 1.6416923140452944
Energy: 1.5203399215202644
Energy: 1.6416923140452944
Energy: 1.4575302545936628
Energy: 1.6985394108083134
Energy: 1.520270102386195
Energy: 1.6985394108092455
Energy: 1.461499418791316
Energy: 1.5022234029966557
Energy: 1.4505316417536742
Energy: 1.5022234029966557
Energy: 1.4614273022577144
Energy: 1.6727108096652534
Energy: 1.5189471725095445
Energy: 1.6727108096652534
Energy: 1.517621029443864
Energy: 1.6733860055072658
Energy: 1.4990389703990716
Energy: 1.6733860055072658
Energy: 1.5157024147440155
Energy: 1.5003879085270775
Energy: 1.4469564220582805
Energy: 1.5003879085270775
Energy: 1.35260675115273
Energy: 1.6984301122304095
Energy: 1.457564151335262
Energy: 1.6984301122304095
Energy: 1.4720284563443018
Energy: 1.5436165325255435
Energy: 1.5205765687664716
Energy: 1.5436165325255435
Energy: 1.4620483637031532
Energy: 1.6990689488283754
Energy: 1.4104135733141845
Energy: 1.6990689488274435
Energy: 1.5153705880388155
Energy: 1.6131718403151158
Energy: 1.5215036110217273
Energy: 1.6131718403141837
Energy: 1.4125414024239016
Energy: 1.6869233427457864
Energy: 1.520194251962556
Energy: 1.6869233427457864
Energy: 1.5361632211084149
Energy: 1.672507238538642
Energy: 1.4253617562025473
Energy: 1.672507238538642
Energy: 1.5362232480757136
Energy: 1.6724661471150148
Energy: 1.462421520774511
Energy: 1.6724661471150148
Energy: 1.4126564423887098
Energy: 1.6868088834134805
Energy: 1.520021219354629
Energy: 1.6868088834134805
Energy: 1.515552490544464
Energy: 1.613141994748412
Energy: 1.5205512232213256
Energy: 1.613141994748412
Energy: 1.462052526726365
Energy: 1.6996717743512242
Energy: 1.387408698582802
Energy: 1.6996717743512242
Energy: 1.4719978343981182
Energy: 1.543687918631905
Energy: 1.520325286366255
Energy: 1.543687918631905
Energy: 1.352608939203635
Energy: 1.6983382896496055
Energy: 1.4383349090048418
Energy: 1.6983382896496055
Energy: 1.5154989946904354
Energy: 1.5004595302664796
Energy: 1.4414893258059462
Energy: 1.500459530265548
Energy: 1.5259102497468098
Energy: 1.6731359830756587
Energy: 1.4367282812540751
Energy: 1.6731359830756587
Energy: 1.4615060571058474
Energy: 1.6727474383978989
Energy: 1.4243863165927269
Energy: 1.6727474383978989
Energy: 1.46143175377718
Energy: 1.5024708440881893
Energy: 1.4468633425600044
Energy: 1.5024708440881893
Energy: 1.457892833134036
Energy: 1.699010694103705
Energy: 1.5202747388901332
Energy: 1.699010694103705
Energy: 1.5159829222286365
Energy: 1.6413211947812267
Energy: 1.52040047753324
Energy: 1.6413211947812267
Energy: 1.6745831352464844
Energy: 1.700030235528929
Energy: 1.5090028044201163
Energy: 1.700030235528929
Energy: 1.5158745935010711
Energy: 1.6416923140452944
Energy: 1.5203399215202644
Energy: 1.6416923140452944
Energy: 1.4575302545945947
Energy: 1.6985394108092455
Energy: 1.5086344124719073
Energy: 1.6985394108092455
Energy: 1.461499418791316
Energy: 1.5022234029966557
Energy: 1.4414925731472723
Energy: 1.5022234029966557

minimum gb energy = 1.35260675115273 eV
minimum distance =  2.22880665833285 Angstroms
sigma value = 25


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

Energy: 1.5996780180205858
Energy: 1.7892816150101851
Energy: 1.6114495516870257
Energy: 1.7892816150101851
Energy: 1.6257801721770817
Energy: 1.691290322958943
Energy: 1.5649037887602446
Energy: 1.691290322958943
Energy: 1.5475719177852167
Energy: 1.83145429553506
Energy: 1.5654950932600844
Energy: 1.83145429553506
Energy: 1.563920311099316
Energy: 1.5937097224325225
Energy: 1.5150453416609477
Energy: 1.5937097224314392
Energy: 1.5155999161754086
Energy: 1.7922102930744634
Energy: 1.5031873156377613
Energy: 1.7922102930744634
Energy: 1.629929799213885
Energy: 1.8310406055771449
Energy: 1.5138212123795134
Energy: 1.831040605578228
Energy: 1.5661846301704554
Energy: 1.5720678824022432
Energy: 1.5493737694083292
Energy: 1.5720678824022432
Energy: 1.6731672007483547
Energy: 1.792214215661051
Energy: 1.4485549672769125
Energy: 1.792214215661051
Energy: 1.5487879018986126
Energy: 1.701279648830207
Energy: 1.5661625902303753
Energy: 1.7012796488312905
Energy: 1.5667494372782573
Energy: 1.8314968084347851
Energy: 1.4991162311723871
Energy: 1.8314968084347851
Energy: 1.5396613488888005
Energy: 1.7901316038241035
Energy: 1.564326234680553
Energy: 1.7901316038241035
Energy: 1.516801254532725
Energy: 1.7896215564747968
Energy: 1.5642254569125515
Energy: 1.7896215564747968
Energy: 1.5654386923650905
Energy: 1.7173657543775502
Energy: 1.5012712746979981
Energy: 1.7173657543775502
Energy: 1.5494746930594727
Energy: 1.643651665485037
Energy: 1.6258438608615091
Energy: 1.643651665485037
Energy: 1.5447123103766995
Energy: 1.7902736761964053
Energy: 1.4456312454498685
Energy: 1.790273676197489
Energy: 1.564790234442806
Energy: 1.5746393879377174
Energy: 1.5155309152919723
Energy: 1.5746393879377174
Energy: 1.4254215585192882
Energy: 1.8311850887902044
Energy: 1.4252704378950238
Energy: 1.8311850887902044
Energy: 1.5151738907625056
Energy: 1.713147824555155
Energy: 1.6113334884876425
Energy: 1.713147824555155
Energy: 1.5607538427423058
Energy: 1.7178397227911388
Energy: 1.5148787154109562
Energy: 1.7178397227911388
Energy: 1.5135719083680446
Energy: 1.8304090774146675
Energy: 1.567583784960983
Energy: 1.8304090774146675
Energy: 1.5791181092332909
Energy: 1.6964544752583115
Energy: 1.5656036996222067
Energy: 1.6964544752583115
Energy: 1.5966719293668963
Energy: 1.790402915848954
Energy: 1.6233619261755992
Energy: 1.790402915848954
Energy: 1.5668064122757719
Energy: 1.7110288959771436
Energy: 1.5645078966402202
Energy: 1.7110288959771436
Energy: 1.5044678545315315
Energy: 1.8359149536787163
Energy: 1.5668288715316234
Energy: 1.8359149536787163
Energy: 1.5651248705498968
Energy: 1.5846126670912892
Energy: 1.5136857988039771
Energy: 1.5846126670923726

minimum gb energy = 1.4252704378950238 eV
minimum distance =  2.2363281133803 Angstroms
sigma value = 9


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

Energy: 1.6990851730552292
Energy: 1.6984045376371326
Energy: 1.7260914832768228
Energy: 1.6984045376371326
Energy: 1.6229398746436137
Energy: 1.8017191735090101
Energy: 1.6694709467672
Energy: 1.8017191735090101
Energy: 1.517352281719759
Energy: 1.6820644780591154
Energy: 1.6788527210541453
Energy: 1.6820644780591154
Energy: 1.6753674798548215
Energy: 1.8271046411764646
Energy: 1.5430757493358034
Energy: 1.8271046411751721
Energy: 1.7523976931613334
Energy: 1.8016341189322818
Energy: 1.6733798840470877
Energy: 1.8016341189322818
Energy: 1.5000456852503123
Energy: 1.6789813183061402
Energy: 1.5451833384516307
Energy: 1.6789813183061402
Energy: 1.6708237862066184
Energy: 1.5430103024551831
Energy: 1.5448076374437087
Energy: 1.5430103024551831
Energy: 1.643875779571694
Energy: 1.6789333828163684
Energy: 1.5308790523837477
Energy: 1.6789333828163684
Energy: 1.6724947863328095
Energy: 1.801969232919198
Energy: 1.6730057888840713
Energy: 1.8019692329179346
Energy: 1.672368230060485
Energy: 1.691619918714353
Energy: 1.5452414899120697
Energy: 1.691619918714353
Energy: 1.586918026018579
Energy: 1.8045969358281044
Energy: 1.6477498105858073
Energy: 1.8045969358281044
Energy: 1.67482686406297
Energy: 1.7351041514902683
Energy: 1.5430882554496381
Energy: 1.7351041514902683
Energy: 1.4999875874753914
Energy: 1.6954068413820111
Energy: 1.642169086210351
Energy: 1.6954068413820111
Energy: 1.6137593508963843
Energy: 1.6786020955597651
Energy: 1.6702831746710496
Energy: 1.6786020955597651
Energy: 1.4999939171698016
Energy: 1.695059350296797
Energy: 1.6431742303073935
Energy: 1.695059350296797
Energy: 1.6749128231128299
Energy: 1.7350547675688253
Energy: 1.5426914981627675
Energy: 1.7350547675688253
Energy: 1.5858692048969338
Energy: 1.8045639631712285
Energy: 1.6790310831094593
Energy: 1.8045639631712285
Energy: 1.6814029349403208
Energy: 1.69160027313102
Energy: 1.54549451966683
Energy: 1.69160027313102
Energy: 1.6722498328395063
Energy: 1.8020567386362492
Energy: 1.6728935013014894
Energy: 1.8020567386362492
Energy: 1.6438441111386024
Energy: 1.678931736447316
Energy: 1.5308806861792752
Energy: 1.678931736447316
Energy: 1.6705796345298145
Energy: 1.5430241916873528
Energy: 1.5445305937435898
Energy: 1.5430241916873528

minimum gb energy = 1.4999875874753914 eV
minimum distance =  2.31293963500408 Angstroms
sigma value = 25


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

Energy: 1.605081087063344
Energy: 1.9815928881983607
Energy: 1.7754161107372668
Energy: 1.9815928881983607
Energy: 1.5833207247411847
Energy: 1.8205597528308863
Energy: 1.5687022825261872
Energy: 1.8205597528308863
Energy: 1.5689556425847824
Energy: 1.7208687510225564
Energy: 1.5682720589154338
Energy: 1.7208687510225564
Energy: 1.6049314811719637
Energy: 1.693774345402294
Energy: 1.770950658956099
Energy: 1.693774345402294
Energy: 1.767255580424087
Energy: 1.5834142664165414
Energy: 1.6226738743679607
Energy: 1.5834142664165414
Energy: 1.5694672826555112
Energy: 1.8313411944578266
Energy: 1.5704242354810052
Energy: 1.8313411944578266
Energy: 1.6230434114915322
Energy: 1.6918535754766408
Energy: 1.5686532921752647
Energy: 1.6918535754782393
Energy: 1.7487933473966661
Energy: 1.570177214637789
Energy: 1.6081622365522243
Energy: 1.5701772146409863
Energy: 1.5682126805373175
Energy: 1.8191149958820068
Energy: 1.5856884199189676
Energy: 1.8191149958820068
Energy: 1.81025878711415
Energy: 1.7227863477007768
Energy: 1.5708500073101566
Energy: 1.7227863477007768
Energy: 1.6638794024992234
Energy: 1.691896671282395
Energy: 1.9418099948174017
Energy: 1.691896671282395
Energy: 1.5690489959025895
Energy: 1.6206186238874762
Energy: 1.809938112081286
Energy: 1.6206186238874762
Energy: 1.7531218949997267
Energy: 1.721396308192619
Energy: 1.568253789792566
Energy: 1.721396308192619
Energy: 1.5682010965828255
Energy: 1.6931271119726905
Energy: 1.6056528910001382
Energy: 1.6931271119726905
Energy: 1.6237951461145261
Energy: 1.6934464198569175
Energy: 1.7488386199814354
Energy: 1.693446419855319
Energy: 1.5851763270724488
Energy: 1.7322368222086704
Energy: 1.5694339744647057
Energy: 1.7322368222070719
Energy: 1.5687748680421376
Energy: 1.714923799228901
Energy: 1.8097332343034782
Energy: 1.714923799228901

minimum gb energy = 1.5682010965828255 eV
minimum distance =  2.29494741470675 Angstroms
sigma value = 17


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

Energy: 1.7664458214343193
Energy: 1.765010367824768
Energy: 1.99270560347729
Energy: 1.765010367824768
Energy: 1.8439424351587155
Energy: 1.7211460980405482
Energy: 1.6081208283833628
Energy: 1.7211460980405482
Energy: 1.8100330255644659
Energy: 1.7611254820560382
Energy: 1.6079057609366483
Energy: 1.7611254820560382
Energy: 1.6101898191754112
Energy: 1.953485177025385
Energy: 1.7330756300247112
Energy: 1.953485177025385
Energy: 1.8462918292031956
Energy: 1.7302520462388242
Energy: 1.6595331442520116
Energy: 1.7302520462388242
Energy: 1.6231494886959548
Energy: 1.6630259829258636
Energy: 1.8079170598972374
Energy: 1.6630259829258636
Energy: 1.614773868127397
Energy: 1.7902207234372627
Energy: 1.6082202370787921
Energy: 1.7902207234372627
Energy: 1.808345763057122
Energy: 1.6286585178484285
Energy: 1.6200987331343508
Energy: 1.628658517849334
Energy: 1.6278098530393523
Energy: 1.7958841094385694
Energy: 1.840929334866224
Energy: 1.7958841094385694
Energy: 1.956267485211131
Energy: 1.7183828404880483
Energy: 1.608161136788625
Energy: 1.7183828404880483
Energy: 1.6144146536750204
Energy: 1.7760715427023481
Energy: 1.8156582367591672
Energy: 1.7760715427023481
Energy: 1.6208674628330988
Energy: 1.7178237950952358
Energy: 1.6206393712759182
Energy: 1.7178237950952358
Energy: 1.8411724893972563
Energy: 1.6215751111278582
Energy: 1.6204409475147248
Energy: 1.6215751111278582
Energy: 1.6082140576634179
Energy: 1.7873053693669851
Energy: 1.8233577268212344
Energy: 1.7873053693651746
Energy: 1.7467233611796227
Energy: 1.7209649353751495
Energy: 1.6239856537379276
Energy: 1.7209649353751495
Energy: 1.8103198031041283
Energy: 1.6283656580640646
Energy: 1.8087232353793872
Energy: 1.6283656580640646
Energy: 1.6082904553741282
Energy: 1.7741569901747694
Energy: 1.9344916613298493
Energy: 1.774156990173864
Energy: 1.7953747043910464
Energy: 1.7590390164927185
Energy: 1.6232205310061731
Energy: 1.7590390164927185
Energy: 1.6452205856760278
Energy: 1.796979975050272
Energy: 1.7155241581170526
Energy: 1.796979975050272
Energy: 1.608155699159283
Energy: 1.7631788041542873
Energy: 1.6107144261145092
Energy: 1.7631788041533818
Energy: 1.7083326350007795
Energy: 1.7609601479511572
Energy: 1.809077190641413
Energy: 1.7609601479511572
Energy: 1.6082211495816605
Energy: 1.8788291367241736
Energy: 1.9568649523382406
Energy: 1.8788291367241736
Energy: 1.8270009736439676
Energy: 1.8188995289191205
Energy: 1.6078031111214657
Energy: 1.8188995289191205
Energy: 1.6199995584313645
Energy: 1.7205123181504538
Energy: 1.833423034363479
Energy: 1.7205123181495485
Energy: 1.619691038229816
Energy: 1.7616173303164755
Energy: 1.832269679564719
Energy: 1.7616173303164755
Energy: 1.834000327138144
Energy: 1.761013340992439
Energy: 1.6091949766606148
Energy: 1.761013340992439
Energy: 1.6083861477057464
Energy: 1.8400258792360111
Energy: 1.991724033025213
Energy: 1.8400258792351059
Energy: 1.8063635665028746
Energy: 1.6686688054150602
Energy: 1.8109282661501316
Energy: 1.6686688054150602
Energy: 1.9367578602655697
Energy: 1.826721142909225
Energy: 1.6145223036588923
Energy: 1.826721142909225
Energy: 1.620413461102809
Energy: 1.8461418954249562
Energy: 1.798364984924505
Energy: 1.8461418954249562

minimum gb energy = 1.6078031111214657 eV
minimum distance =  2.21201763569226 Angstroms
sigma value = 53


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

Energy: 1.7374608549014365
Energy: 1.7340523584216725
Energy: 2.0743180329270574
Energy: 1.7340523584216725
Energy: 1.8408770555127465
Energy: 1.802864762794995
Energy: 1.7169590363943505
Energy: 1.802864762794995
Energy: 1.5416348103702437
Energy: 1.5396047855794939
Energy: 1.7363637273581785
Energy: 1.5396047855794939
Energy: 1.5416061546238813
Energy: 1.5406501082794464
Energy: 1.7366903573126233
Energy: 1.5406501082794464
Energy: 2.0017902542468633
Energy: 1.7200343415055162
Energy: 1.8450981098849852
Energy: 1.720034341503432
Energy: 1.5408275387352077
Energy: 1.5401546723577206
Energy: 2.0743180329270574
Energy: 1.5401546723577206
Energy: 1.7174944769168106
Energy: 1.802864762794995
Energy: 1.7127861148626615
Energy: 1.802864762794995
Energy: 1.5416348103702437
Energy: 1.5396047855794939
Energy: 1.7363637273581785
Energy: 1.5396047855794939
Energy: 1.5416061546238813
Energy: 1.5406501082794464
Energy: 1.5671252295199034
Energy: 1.5406501082794464
Energy: 2.0017902542468633
Energy: 1.6814421247255311
Energy: 1.8450981098849852
Energy: 1.6814421247255311
Energy: 1.7374608549014365
Energy: 1.7340523584216725
Energy: 2.0743180329270574
Energy: 1.7340523584216725
Energy: 1.8408770555127465
Energy: 1.802864762794995
Energy: 1.701262758247876
Energy: 1.802864762794995
Energy: 1.5416348103702437
Energy: 1.5396047855794939
Energy: 1.7363637273581785
Energy: 1.5396047855794939

minimum gb energy = 1.5396047855794939 eV
minimum distance =  2.27784152004124 Angstroms
sigma value = 9


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

Energy: 1.6817895835057854
Energy: 1.9112268470884914
Energy: 2.0355601533432526
Energy: 1.911226847089263
Energy: 1.9049675635908403
Energy: 1.7689365722892871
Energy: 1.6843360622973877
Energy: 1.7689365722892871
Energy: 1.6735426410128076
Energy: 1.6676670083467002
Energy: 1.6864371874113315
Energy: 1.6676670083482432
Energy: 1.8632954276487093
Energy: 1.9769049376673888
Energy: 1.686261173213598
Energy: 1.9769049376673888
Energy: 1.8929552514169319
Energy: 1.7618218367547567
Energy: 1.684490177847217
Energy: 1.7618218367539853
Energy: 1.6673876158839667
Energy: 1.6669009483642991
Energy: 1.8644131842866418
Energy: 1.6669009483635275
Energy: 2.1513072260626207
Energy: 1.7572188434231286
Energy: 1.685294580305043
Energy: 1.7572188434231286
Energy: 1.680764649863004
Energy: 1.7921078872171088
Energy: 1.8744365990694587
Energy: 1.7921078872178804
Energy: 1.6760869476136986
Energy: 1.9902188512523267
Energy: 1.6790617502120628
Energy: 1.9902188512523267
Energy: 1.6753648388010074
Energy: 1.7597557934461603
Energy: 1.6862809216378198
Energy: 1.7597557934469317
Energy: 1.6801630944483352
Energy: 1.794846005481665
Energy: 2.1390057941887197
Energy: 1.794846005481665
Energy: 1.889086317158407
Energy: 1.9006541822419731
Energy: 1.679358669405458
Energy: 1.9006541822419731
Energy: 1.6762994485656126
Energy: 1.7899152555201479
Energy: 2.0107189616714916
Energy: 1.7899152555193762
Energy: 1.869530473478521
Energy: 1.8750044630029363
Energy: 1.6877886806822535
Energy: 1.8750044627261482
Energy: 1.6822125489319428
Energy: 1.8803475619378358
Energy: 1.8714698220708283
Energy: 1.8803475619386072
Energy: 1.6775308057736342
Energy: 1.9896572705539404
Energy: 1.8718482818648075
Energy: 1.9896572705539404
Energy: 1.7734915399177453
Energy: 1.8807768055694243
Energy: 1.6817547916873805
Energy: 1.8807768055694243
Energy: 1.681904737980168
Energy: 1.7581978238880764
Energy: 1.8910396483220384
Energy: 1.7581978238880764
Energy: 1.8779750581395802
Energy: 1.790548232864829
Energy: 1.670162159869145
Energy: 1.790548232864829
Energy: 1.6807156182470446
Energy: 1.7761266579281103
Energy: 1.7884811872220525
Energy: 1.7761266579281103
Energy: 1.8733284104303705
Energy: 1.9788117837675652
Energy: 1.8671496074270637
Energy: 1.9788117837683363
Energy: 1.7969153255588575
Energy: 1.8657125699006718
Energy: 1.6753723153450724
Energy: 1.8657125699006718
Energy: 1.678962309571198
Energy: 1.8845170239380495
Energy: 1.6762288109342722
Energy: 1.8845170239380495
Energy: 2.1558303160715475
Energy: 1.793380679574438
Energy: 1.6793020893170707
Energy: 1.793380679574438
Energy: 1.6855694137431998
Energy: 1.9114918439778066
Energy: 2.045466553741805
Energy: 1.9114918439778066
Energy: 1.7791472935845256
Energy: 1.6673290109876788
Energy: 1.6741226882543998
Energy: 1.6673290109884504
Energy: 1.877050381736669
Energy: 1.8832027722746936
Energy: 1.8622895016640642
Energy: 1.8832027722746936
Energy: 1.697383716524607
Energy: 1.977822632309633
Energy: 1.8628009571713355
Energy: 1.977822632309633
Energy: 1.7804243683174201
Energy: 1.6673228022601216
Energy: 1.6733459629115348
Energy: 1.667322802260893
Energy: 1.684622709419592
Energy: 1.9103198948164175
Energy: 2.0383335701354115
Energy: 1.9103198948164175
Energy: 2.041265859105027
Energy: 1.7938319367564646
Energy: 1.6786862919712582
Energy: 1.7938319367564646
Energy: 1.684047263431306
Energy: 1.759741590047324
Energy: 1.6747544234568936
Energy: 1.759741590047324
Energy: 1.6865337293253349
Energy: 1.8673954120044138
Energy: 1.6739347074180722
Energy: 1.8673954120044138
Energy: 1.8630396572107346
Energy: 1.9806163400051082
Energy: 1.863859242959864
Energy: 1.9806163400043368
Energy: 1.684428296987382
Energy: 1.9212381606165865
Energy: 2.1505977251496136
Energy: 1.9212381606165865

minimum gb energy = 1.6669009483635275 eV
minimum distance =  2.22583214090461 Angstroms
sigma value = 73


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

Energy: 1.7901209258439588
Energy: 1.7870214462250897
Energy: 2.095147544202076
Energy: 1.7870214462250897
Energy: 1.8025356940665027
Energy: 1.8209416030038528
Energy: 1.6858475167049656
Energy: 1.8209416030038528
Energy: 1.7002802253063427
Energy: 1.6823422191792687
Energy: 1.6883405422942486
Energy: 1.6823422191792687
Energy: 1.6870313803936787
Energy: 1.919292932779453
Energy: 1.6999621086058456
Energy: 1.919292932779453
Energy: 1.7787989548867953
Energy: 1.8235163934061331
Energy: 1.689244258012752
Energy: 1.8235163934061331
Energy: 1.7040273347964148
Energy: 1.6910158764618257
Energy: 1.999736939888549
Energy: 1.6910158764618257
Energy: 2.122177742120839
Energy: 1.9127740994854705
Energy: 1.6917134997341374
Energy: 1.912774099486694
Energy: 1.686094616591823
Energy: 1.6741162184473064
Energy: 1.9861111352168723
Energy: 1.6741162184473064
Energy: 2.0789999598577884
Energy: 1.676404382842427
Energy: 1.6807275888476345
Energy: 1.676404382842427
Energy: 1.6949318223801846
Energy: 1.820265585165836
Energy: 1.6935852179625834
Energy: 1.820265585165836
Energy: 1.6869619507354963
Energy: 1.6761037590888073
Energy: 1.9904485047596987
Energy: 1.6761037590888073
Energy: 1.880298993556929
Energy: 1.69592469840485
Energy: 1.6862277086089337
Energy: 1.69592469840485
Energy: 1.7008997016720802
Energy: 1.8015055079372424
Energy: 1.989048379625355
Energy: 1.8015055079372424
Energy: 2.0434313056127174
Energy: 1.9017162694763141
Energy: 1.7059654182326989
Energy: 1.9017162694763141
Energy: 1.6785912133389247
Energy: 1.9379684445282308
Energy: 1.9698667642615462
Energy: 1.9379684445282308
Energy: 1.9898702536254447
Energy: 1.6749698617935862
Energy: 1.6867325511912528
Energy: 1.6749698617935862
Energy: 1.7912861958328765
Energy: 1.7867145764227599
Energy: 1.700208778579896
Energy: 1.7867145764227599
Energy: 1.7893799742069547
Energy: 1.6970026301734586
Energy: 1.6998037958480732
Energy: 1.6970026301734586
Energy: 1.682882708987985
Energy: 1.6743711740756781
Energy: 1.6871663151102052
Energy: 1.6743711740756781
Energy: 1.6871168079616827
Energy: 1.8264872046854197
Energy: 2.039024427381597
Energy: 1.8264872046854197
Energy: 2.0224658307785797
Energy: 1.6891189321123063
Energy: 1.7101574602506384
Energy: 1.6891189321123063
Energy: 1.6998417571775335
Energy: 1.819934693921875
Energy: 1.8263620644916168
Energy: 1.819934693920651

minimum gb energy = 1.6741162184473064 eV
minimum distance =  2.23552291888792 Angstroms
sigma value = 7


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

Energy: 1.7130378947017084
Energy: 1.7124068491781832
Energy: 2.1084966675049857
Energy: 1.7124068491781832
Energy: 2.0970277644064392
Energy: 1.7921238285189014
Energy: 1.6903530980170622
Energy: 1.7921238285189014
Energy: 1.6928172414126794
Energy: 1.7117418678704783
Energy: 1.717092473200788
Energy: 1.7117418678704783
Energy: 1.73740284989812
Energy: 1.8187094936305683
Energy: 1.69109078799973
Energy: 1.8187094936305683
Energy: 1.692360774405133
Energy: 1.7951392487849758
Energy: 1.707971360491395
Energy: 1.7951392487849758
Energy: 1.6861016579816783
Energy: 1.7132769110525272
Energy: 2.0351593233834024
Energy: 1.7132769110525272
Energy: 1.8766666292507623
Energy: 1.8685416846169434
Energy: 1.7090379739642265
Energy: 1.8685416846169434
Energy: 1.6861321631212907
Energy: 1.7133537188417054
Energy: 2.0698206621314723
Energy: 1.7133537188417054
Energy: 1.897012450070131
Energy: 1.8048560048143591
Energy: 1.6958732116492055
Energy: 1.8048560048134936
Energy: 1.6852624855515008
Energy: 1.8317500864040013
Energy: 1.8557691766653095
Energy: 1.8317500864040013
Energy: 1.7269649025359615
Energy: 1.9484161274901852
Energy: 1.726786508653657
Energy: 1.9484161274910505
Energy: 1.7348228708887297
Energy: 1.7963913275749066
Energy: 1.7459946739724073
Energy: 1.7963913275749066
Energy: 1.7232062681504678
Energy: 1.7160036457812242
Energy: 1.742481450190513
Energy: 1.7160036457812242
Energy: 1.7159868219724235
Energy: 1.707040137742704
Energy: 1.7448910117028213
Energy: 1.707040137742704
Energy: 1.6822035172376433
Energy: 1.9652280365185248
Energy: 1.8987166314485056
Energy: 1.9652280365185248
Energy: 2.1729357778592475
Energy: 1.7058155459893019
Energy: 1.7043379896298905
Energy: 1.7058155459893019
Energy: 1.6814897873067318
Energy: 1.7956851990222806
Energy: 1.7746451625820507
Energy: 1.7956851990222806
Energy: 1.7053412684297722
Energy: 1.9497995929343788
Energy: 1.7431968293391094
Energy: 1.9497995929335135
Energy: 1.6815218805458847
Energy: 1.7144188705308128
Energy: 1.7432035526674727
Energy: 1.7144188705308128
Energy: 1.6844048247654133
Energy: 1.7997003904744964
Energy: 1.7424347755172258
Energy: 1.7997003904744964
Energy: 1.7277880019629412
Energy: 1.9511588661837713
Energy: 1.6956070124393294
Energy: 1.9511588661837713
Energy: 1.6854148614485307
Energy: 1.7118616064810133
Energy: 1.8625896313560728
Energy: 1.7118616064810133
Energy: 2.047726500652463
Energy: 1.8048227002354842
Energy: 1.7194810192439365
Energy: 1.8048227002354842
Energy: 1.7152607282380143
Energy: 1.7137898721873388
Energy: 2.033197323212193
Energy: 1.7137898721873388
Energy: 1.7186428391270934
Energy: 1.8009497039598428
Energy: 1.726956678627289
Energy: 1.8009497039598428
Energy: 1.7365461911638698
Energy: 1.712792123700067
Energy: 1.7189743968748066
Energy: 1.7127921236992016
Energy: 1.6926833508682042
Energy: 1.823625666354365
Energy: 1.8718770155753766
Energy: 1.823625666354365
Energy: 1.7381525681754253
Energy: 1.7949318964784862
Energy: 1.6911344678096498
Energy: 1.7949318964784862
Energy: 1.6941958393238215
Energy: 1.7130463834488538
Energy: 1.9024512942023513
Energy: 1.7130463834488538
Energy: 1.715272216298253
Energy: 1.714516006357414
Energy: 1.6902886091691984
Energy: 1.714516006357414
Energy: 1.6939010982800111
Energy: 1.712988846035
Energy: 1.9853356003794418
Energy: 1.712988846035

minimum gb energy = 1.6814897873067318 eV
minimum distance =  2.22034230902055 Angstroms
sigma value = 29


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

Energy: 1.6512836872888752
Energy: 1.6379907639988887
Energy: 1.6051575630382797
Energy: 1.6379907639988887
Energy: 1.6020266842988358
Energy: 1.6543242452433427
Energy: 1.6497137722606419
Energy: 1.6543242452433427
Energy: 1.6076872113050849
Energy: 1.7320133280204917
Energy: 1.818051438359544
Energy: 1.7320133280207928
Energy: 1.651612097687608
Energy: 1.6044327861198462
Energy: 1.649577518916305
Energy: 1.6044327861198462
Energy: 1.651325329845769
Energy: 1.707469115511451
Energy: 1.6079314125148216
Energy: 1.707469115511451
Energy: 1.6397889709171212
Energy: 1.7329805323168854
Energy: 1.6397890284848229
Energy: 1.7329805323171867
Energy: 1.6076863855635966
Energy: 1.707434233208244
Energy: 1.6513645614682324
Energy: 1.707434233208244
Energy: 1.6496483131927402
Energy: 1.6043377589222843
Energy: 1.6516200099091711
Energy: 1.6043377589222843
Energy: 1.818063941005131
Energy: 1.732005016965308
Energy: 1.6729806340812206
Energy: 1.7320050169650067

minimum gb energy = 1.6020266842988358 eV
minimum distance =  2.26919620868909 Angstroms
sigma value = 5


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

Energy: 1.616200948306931
Energy: 1.6062349552502448
Energy: 1.8821827346216378
Energy: 1.6062349552502448
Energy: 1.8523126765486793
Energy: 1.696219045000982
Energy: 1.5470492542646797
Energy: 1.696219045000982
Energy: 1.562874921996275
Energy: 1.601738431917346
Energy: 1.853974309913308
Energy: 1.6017384319165286
Energy: 1.564558616398414
Energy: 1.6851099289521545
Energy: 1.5828600753303994
Energy: 1.6851099289521545
Energy: 1.5803590584416
Energy: 1.6941468156936779
Energy: 1.9734699664663242
Energy: 1.6941468156936779
Energy: 1.5933425577001954
Energy: 1.6147678164872294
Energy: 1.5670644458032088
Energy: 1.6147678164872294
Energy: 1.5761368920277947
Energy: 1.7031652248178115
Energy: 1.563898772248797
Energy: 1.7031652248178115
Energy: 1.5741919747881874
Energy: 1.6168781863809611
Energy: 1.5595547773208387
Energy: 1.6168781863809611
Energy: 1.579861307437681
Energy: 1.8199736503292026
Energy: 1.5777663723275237
Energy: 1.8199736503292026
Energy: 1.591460899882258
Energy: 1.6925116134051208
Energy: 1.6151573420562537
Energy: 1.6925116134051208
Energy: 1.5543488463138215
Energy: 1.6168021180288854
Energy: 1.559357664732305
Energy: 1.6168021180288854
Energy: 1.5704987215640462
Energy: 1.62377992055189
Energy: 1.7477958984819604
Energy: 1.62377992055189
Energy: 1.6064247571264851
Energy: 1.6128447931920853
Energy: 1.6164385646662205
Energy: 1.6128447931920853
Energy: 1.5714931904014635
Energy: 1.6128606216551247
Energy: 1.645075487629892
Energy: 1.6128606216551247
Energy: 1.9747580427454219
Energy: 1.688670732013396
Energy: 1.5596199097840162
Energy: 1.688670732013396
Energy: 1.5860544008853046
Energy: 1.5926041802122968
Energy: 1.830078421164644
Energy: 1.5926041802114792
Energy: 1.8648235267296718
Energy: 1.6956761225200903
Energy: 1.5471133416670264
Energy: 1.6956761225200903
Energy: 1.5751628861373541
Energy: 1.6127306780946067
Energy: 1.6935233551303388
Energy: 1.6127306780946067
Energy: 1.591053308853798
Energy: 1.7047450860505544
Energy: 1.570583576658479
Energy: 1.7047450860505544
Energy: 1.55786963487874
Energy: 1.6736462335527613
Energy: 1.5970047639606095
Energy: 1.6736462335527613
Energy: 1.549343703331791
Energy: 1.614754619234312
Energy: 1.5865420687054927
Energy: 1.614754619234312
Energy: 1.58815712263681
Energy: 1.6909976082276954
Energy: 1.5795782974887032
Energy: 1.6909976082276954
Energy: 1.5514885543070138
Energy: 1.6150388052728035
Energy: 1.5498261811606278
Energy: 1.6150388052728035
Energy: 1.7460841829569322
Energy: 1.6170318476866292
Energy: 1.558628112428586
Energy: 1.6170318476866292
Energy: 1.7561014959069514
Energy: 1.596442174279844
Energy: 1.5740298019174288
Energy: 1.5964421742806614
Energy: 1.5907477616104448
Energy: 1.6129376647449691
Energy: 1.5726091722843565
Energy: 1.6129376647449691
Energy: 1.553302623038027
Energy: 1.6762227137643368
Energy: 1.7182309167670096
Energy: 1.6762227137651544
Energy: 1.6090152481034297
Energy: 1.6514594322019471
Energy: 1.5839490114202512
Energy: 1.6514594322019471
Energy: 1.5575143840429435
Energy: 1.6892548507169531
Energy: 1.7450936949010347
Energy: 1.6892548507169531
Energy: 1.861398120762136
Energy: 1.6122474985733517
Energy: 1.5742314041591643
Energy: 1.6122474985725341
Energy: 1.5579960679735227
Energy: 1.5976280616136547
Energy: 1.7354045058346255
Energy: 1.5976280616136547
Energy: 1.8601674882845018
Energy: 1.6475345202694374
Energy: 1.5674224465246314
Energy: 1.6475345202702547
Energy: 1.5907556162719365
Energy: 1.6172460639137727
Energy: 1.552047191795652
Energy: 1.6172460639137727

minimum gb energy = 1.5470492542646797 eV
minimum distance =  2.2179851707628 Angstroms
sigma value = 1


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

Energy: 1.5446773761216797
Energy: 1.5436617911005657
Energy: 1.5401348783140647
Energy: 1.5436617911005657
Energy: 1.5849666154623312
Energy: 1.568490040652963
Energy: 1.5088680939040888
Energy: 1.568490040652963
Energy: 1.4751665558771234
Energy: 1.5435786316700228
Energy: 2.043455090233978
Energy: 1.5435786316700228
Energy: 1.5070481133561435
Energy: 1.6464000390858196
Energy: 1.4961520264894799
Energy: 1.6464000390858196
Energy: 1.4761073415516417
Energy: 1.6899031105073739
Energy: 1.5111967480795467
Energy: 1.6899031105073739
Energy: 1.4731863340969196
Energy: 1.5499194131279026
Energy: 1.4957285788347265
Energy: 1.5499194131279026
Energy: 1.4760152931648085
Energy: 1.6901712981490653
Energy: 1.5487718655397815
Energy: 1.6901712981490653
Energy: 1.4757865842611309
Energy: 1.5498953337048516
Energy: 1.5730845958553352
Energy: 1.5498953337037211
Energy: 1.5430714309499232
Energy: 1.5418689933143592
Energy: 1.542660634507454
Energy: 1.5418689933143592
Energy: 1.5431321639029398
Energy: 1.5418914202573646
Energy: 1.5519871467365536
Energy: 1.5418914202573646
Energy: 1.4757720047050336
Energy: 1.5500002800188641
Energy: 1.5825546687607828
Energy: 1.5500002800188641
Energy: 1.4757941757977777
Energy: 1.690164992058453
Energy: 1.5050920639341516
Energy: 1.690164992058453
Energy: 1.4739227616701516
Energy: 1.550272344573515
Energy: 1.4953626657312937
Energy: 1.5502723445746454
Energy: 1.4763270877275398
Energy: 1.6895551210767048
Energy: 1.7364190995992073
Energy: 1.6895551210767048
Energy: 1.5068572604061654
Energy: 1.6466853788974882
Energy: 1.4960736880857275
Energy: 1.6466853788974882
Energy: 1.475685399810126
Energy: 1.5436294356643783
Energy: 1.6073987972468622
Energy: 1.5436294356643783
Energy: 1.5858538632890333
Energy: 1.5687752243713213
Energy: 1.5087123242479124
Energy: 1.5687752243713213
Energy: 1.5446773761216797
Energy: 1.5436617911005657
Energy: 1.8343014200911572
Energy: 1.5436617911005657
Energy: 1.5849666154623312
Energy: 1.568490040652963
Energy: 1.508868093905219
Energy: 1.568490040652963
Energy: 1.4751665558771234
Energy: 1.5435786316700228
Energy: 2.0434550902328477
Energy: 1.5435786316700228
Energy: 1.5070481133561435
Energy: 1.6464000390858196
Energy: 1.4961520264894799
Energy: 1.6464000390858196
Energy: 1.4761073415516417
Energy: 1.6899031105073739
Energy: 1.5111967480818072
Energy: 1.6899031105073739
Energy: 1.4731863340957894
Energy: 1.5499194131279026
Energy: 1.4957285788347265
Energy: 1.5499194131279026
Energy: 1.4760152931648085
Energy: 1.6901712981490653
Energy: 1.5487718655397815
Energy: 1.6901712981490653

minimum gb energy = 1.4731863340957894 eV
minimum distance =  2.23452674823634 Angstroms
sigma value = 17


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

Energy: 1.5233174958602573
Energy: 1.5231194332313929
Energy: 1.8103927454647923
Energy: 1.5231194332313929
Energy: 1.7346507665351565
Energy: 1.5065253896433386
Energy: 1.4825802984178778
Energy: 1.5065253896440374
Energy: 1.4791255235261092
Energy: 1.5057760905522286
Energy: 1.8340454322164945
Energy: 1.5057760905522286
Energy: 1.525178679673385
Energy: 1.4714131453075092
Energy: 1.4767510443638205
Energy: 1.4714131453075092
Energy: 1.469644858670274
Energy: 1.621022928910376
Energy: 1.5324535015338963
Energy: 1.6210229289110747
Energy: 1.4648498948246733
Energy: 1.4892369388669822
Energy: 1.4958333944643076
Energy: 1.4892369388467221
Energy: 1.488816210775553
Energy: 1.598285033333778
Energy: 1.5055197127901057
Energy: 1.598285033333778
Energy: 1.4638645580007048
Energy: 1.7899243896852581
Energy: 1.4769263423365833
Energy: 1.7899243896859567
Energy: 1.5205074503767542
Energy: 1.7879891914157822
Energy: 1.5233850315301936
Energy: 1.7879891914157822
Energy: 1.5236261577821746
Energy: 1.5821869441229997
Energy: 1.481504711028669
Energy: 1.5821869441229997
Energy: 1.4787216916151367
Energy: 1.5527636493458983
Energy: 1.4733637909072788
Energy: 1.5527636493458983
Energy: 1.4823853239742142
Energy: 1.5906533102229377
Energy: 1.4900857710727775
Energy: 1.590653310222239
Energy: 1.4625698037606372
Energy: 1.7778945221258042
Energy: 1.4886138584101736
Energy: 1.7778945221258042
Energy: 1.483530737806449
Energy: 1.6192410199173404
Energy: 1.5210850609906512
Energy: 1.6192410199173404
Energy: 1.4818523607398426
Energy: 1.4805042564958457
Energy: 1.5347064542022346
Energy: 1.480504256516804
Energy: 1.4789100187562345
Energy: 1.5074023954996265
Energy: 1.4968918204662345
Energy: 1.5074023954989277
Energy: 1.5019146143322393
Energy: 1.4800921867851307
Energy: 1.4882952828822213
Energy: 1.4800921867858292
Energy: 1.4709831266160232
Energy: 1.5230694489214425
Energy: 1.4908729991647902
Energy: 1.5230694489214425
Energy: 1.7391297653918119
Energy: 1.5936982451629553
Energy: 1.4775189409622347
Energy: 1.593698245162257
Energy: 1.4902674156637146
Energy: 1.5068010935649265
Energy: 1.5402588019956676
Energy: 1.5068010935649265
Energy: 1.4984262013928205
Energy: 1.4954383686152755
Energy: 1.4718610569517365
Energy: 1.4954383686159742
Energy: 1.4716496667019743
Energy: 1.5233956271827387
Energy: 1.5710954928669207
Energy: 1.5233956271827387
Energy: 1.5126562429830277
Energy: 1.492174367602235
Energy: 1.4922734157102213
Energy: 1.4921743676015364
Energy: 1.4784940446467634
Energy: 1.600879161257416
Energy: 1.733637163547566
Energy: 1.6008791612567173
Energy: 1.502674164072553
Energy: 1.5241494853952378
Energy: 1.4731727810931565
Energy: 1.5241494853952378
Energy: 1.4905597555474432
Energy: 1.6232205573807108
Energy: 1.5341626398723687
Energy: 1.6232205573807108
Energy: 1.7168985399480874
Energy: 1.575747638587968
Energy: 1.4808953748109814
Energy: 1.575747638587968
Energy: 1.5406326340076937
Energy: 1.7633534624626463
Energy: 1.4763777063559225
Energy: 1.7633534624626463
Energy: 1.5464489375140327
Energy: 1.618556855324644
Energy: 1.4702179128903112
Energy: 1.6185568553239456
Energy: 1.490710632833573
Energy: 1.5709464074297084
Energy: 1.5366409446091942
Energy: 1.5709464074304071
Energy: 1.4755210002941304
Energy: 1.6187433589748572
Energy: 1.484691341887136
Energy: 1.6187433589748572
Energy: 1.476546245573283
Energy: 1.7618667319271402
Energy: 1.473987928749808
Energy: 1.7618667319271402
Energy: 1.4807820675800434
Energy: 1.5869252138257681
Energy: 1.7457432110281346
Energy: 1.5869252138250696
Energy: 1.549510342550083
Energy: 1.7829958857816435
Energy: 1.4922513486822728
Energy: 1.7829958857816435
Energy: 1.471148023112927
Energy: 1.524525152998772
Energy: 1.5168035702066465
Energy: 1.5245251529994706
Energy: 1.512124881787372
Energy: 1.6002433558100688
Energy: 1.4872477474107684
Energy: 1.6002433558100688
Energy: 1.4923445966432634
Energy: 1.4888167995047608
Energy: 1.4691768829576142
Energy: 1.4888167994872952
Energy: 1.52145420558771
Energy: 1.622554639735048
Energy: 1.4926839950123778
Energy: 1.622554639735048

minimum gb energy = 1.4625698037606372 eV
minimum distance =  2.22954022334407 Angstroms
sigma value = 89


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

Energy: 1.3542731567330055
Energy: 1.3536743618700344
Energy: 1.7253710122648283
Energy: 1.3536743618718625
Energy: 1.3689968722386205
Energy: 1.3957096335245949
Energy: 1.3718868139348475
Energy: 1.3957096335245949
Energy: 1.369289263272765
Energy: 1.5969688134994031
Energy: 2.244372419322563
Energy: 1.5969688134994031
Energy: 1.3471404223616164
Energy: 1.3957161078849596
Energy: 1.3716098822700962
Energy: 1.3957161078849596
Energy: 1.3710660853850882
Energy: 1.4987351985286297
Energy: 1.44613761199456
Energy: 1.4987351985286297
Energy: 1.3681139998267056
Energy: 1.3555695738885447
Energy: 1.3579692439383777
Energy: 1.3555695738885447
Energy: 1.3692109319182861
Energy: 1.5964673263748805
Energy: 1.3536045295843455
Energy: 1.5964673263748805
Energy: 1.366155015957984
Energy: 1.8046245331562387
Energy: 1.3717357151247087
Energy: 1.8046245331562387
Energy: 1.3716306344523874
Energy: 1.4987194657910463
Energy: 1.3498693911015822
Energy: 1.4987194657928742
Energy: 1.3969869893948528
Energy: 1.3544288751895583
Energy: 1.3699089228254764
Energy: 1.3544288751895583
Energy: 1.3530759121284617
Energy: 1.3971334602999304
Energy: 1.368370167907827
Energy: 1.3971334602981025
Energy: 1.3533174340726508
Energy: 1.5975260430885658
Energy: 1.371775120628483
Energy: 1.5975260430885658
Energy: 1.3683302551868473
Energy: 1.358854869784578
Energy: 1.362898855282887
Energy: 1.358854869784578
Energy: 1.3565104433357962
Energy: 1.4950849092734422
Energy: 1.3564994664098142
Energy: 1.4950849092716143
Energy: 1.3498640427585549
Energy: 1.3588906065086304
Energy: 1.3681963089727418
Energy: 1.3588906065086304

minimum gb energy = 1.3471404223616164 eV
minimum distance =  2.2485209795827 Angstroms
sigma value = 13


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

Energy: 1.4521895663220072
Energy: 1.306303084495199
Energy: 1.6548139975221403
Energy: 1.306303084471448
Energy: 1.4822001096705724
Energy: 1.5517502185845167
Energy: 1.2782799248161238
Energy: 1.5517502185845167
Energy: 1.3008117137978907
Energy: 1.287854759731861
Energy: 1.5383819017692417
Energy: 1.2878547597027472
Energy: 1.2988352402923686
Energy: 1.4356677533526057
Energy: 1.2826734059232845
Energy: 1.4356677533518396
Energy: 1.302131405148676
Energy: 1.394585629127943
Energy: 1.3501413243601113
Energy: 1.3945856291287093
Energy: 1.2770296047959835
Energy: 1.4359222048561056
Energy: 1.4229436215163127
Energy: 1.4359222048576377
Energy: 1.3022130294393146
Energy: 1.3953746745351816
Energy: 1.5549284886008963
Energy: 1.3953746745344155
Energy: 1.2780218942764496
Energy: 1.5509006154487677
Energy: 1.4230525373784237
Energy: 1.5509006154487677
Energy: 1.3051298225983097
Energy: 1.4089622552081025
Energy: 1.7523447359212956
Energy: 1.4089622552073362
Energy: 1.5426764349701108
Energy: 1.6449090974482943
Energy: 1.2828962922003295
Energy: 1.6449090974482943
Energy: 1.3083285819973975
Energy: 1.4189770348079833
Energy: 1.2894544882331458
Energy: 1.4189770348079833
Energy: 1.849387082675291
Energy: 1.4178216309545344
Energy: 1.2710002256459794
Energy: 1.4178216309545344
Energy: 1.344118516668076
Energy: 1.2992379649597243
Energy: 1.2754748403679468
Energy: 1.2992379649597243
Energy: 1.783537565723811
Energy: 1.4186460464309583
Energy: 1.2758396882489014
Energy: 1.4186460464309583
Energy: 1.3091328791391301
Energy: 1.2875021349166575
Energy: 1.2771218857433726
Energy: 1.2875021349166575
Energy: 1.4023070543090073
Energy: 1.4190875023700398
Energy: 1.2859893886735332
Energy: 1.4190875023700398
Energy: 1.2972906978576895
Energy: 1.3840772812810647
Energy: 1.2887756321031174
Energy: 1.3840772812810647
Energy: 1.2937052235421245
Energy: 1.5758725804095426
Energy: 1.4353264128826964
Energy: 1.5758725804095426
Energy: 1.2937325653796399
Energy: 1.308819881896363
Energy: 1.4353522569224262
Energy: 1.308819881896363
Energy: 1.2941951375726215
Energy: 1.5668238206675127
Energy: 1.4354341719412964
Energy: 1.5668238206667464
Energy: 1.314977711478759
Energy: 1.4069936857119933
Energy: 1.43542514483258
Energy: 1.4069936857119933
Energy: 1.2938548253602564
Energy: 1.3827143081601478
Energy: 1.2886262606097167
Energy: 1.3827143081616802
Energy: 1.4275922408315744
Energy: 1.4190198489576573
Energy: 1.2877900813773409
Energy: 1.4190198489576573
Energy: 1.3114307892075132
Energy: 1.286962327434054
Energy: 1.276108292875613
Energy: 1.286962327434054
Energy: 1.8932135628008704
Energy: 1.4185281012170288
Energy: 1.2708540279816387
Energy: 1.4185281012162627
Energy: 1.465386427753039
Energy: 1.325127674055451
Energy: 1.273699192327474
Energy: 1.325127674056217
Energy: 1.7293416732106628
Energy: 1.64497242089125
Energy: 1.2716698687479802
Energy: 1.64497242089125
Energy: 1.310831323110652
Energy: 1.4192659787660007
Energy: 1.3092442925131347
Energy: 1.4192659787660007
Energy: 1.423138406945263
Energy: 1.6488248966074166
Energy: 1.2793794651118366
Energy: 1.6488248966074166
Energy: 1.3022414322810933
Energy: 1.3955666529977746
Energy: 1.6459226161353557
Energy: 1.3955666529977746
Energy: 1.2755126432489095
Energy: 1.551436304091973
Energy: 1.4230257298361508
Energy: 1.5514363040912067
Energy: 1.2953867823861183
Energy: 1.3953570538539841
Energy: 1.6677083624948308
Energy: 1.3953570538539841
Energy: 1.2774185805127192
Energy: 1.318065043331934
Energy: 1.4228567658003368
Energy: 1.3180650433327004
Energy: 1.298376111404075
Energy: 1.3925337389048271
Energy: 1.6858921128730784
Energy: 1.3925337389048271
Energy: 1.4079348045573565
Energy: 1.5513469942497653
Energy: 1.2793537036609743
Energy: 1.5513469942497653

minimum gb energy = 1.2708540279816387 eV
minimum distance =  2.21186998670117 Angstroms
sigma value = 37


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

Energy: 1.2184982962119026
Energy: 1.2172567570393598
Energy: 1.1818828290856476
Energy: 1.2172567570393598
Energy: 1.2808592923019932
Energy: 1.2170914245402693
Energy: 1.1632010779765454
Energy: 1.2170914245402693
Energy: 1.1764513413062856
Energy: 1.388089985270836
Energy: 1.9898506684780262
Energy: 1.388089985270836
Energy: 1.1558472947872211
Energy: 1.217365158594485
Energy: 1.1631849311708544
Energy: 1.217365158594485
Energy: 1.1616686928250601
Energy: 1.2170631036181487
Energy: 1.1583415847976934
Energy: 1.2170631036181487
Energy: 1.1484895517643892
Energy: 1.2170974991738857
Energy: 1.1576908564032755
Energy: 1.2170974991738857
Energy: 1.198106746482522
Energy: 1.4315612484792046
Energy: 1.5650685758450014
Energy: 1.4315612484792046
Energy: 1.162935944239193
Energy: 1.2182246260081138
Energy: 1.222115892018894
Energy: 1.2182246260081138
Energy: 1.1619016188680127
Energy: 1.217567887847727
Energy: 1.5649957797864156
Energy: 1.217567887847727
Energy: 1.611658809775007
Energy: 1.370907724081376
Energy: 1.1577614849608557
Energy: 1.3709077240800578
Energy: 1.198110951852143
Energy: 1.271957949463981
Energy: 1.1624546762302288
Energy: 1.271957949463981
Energy: 1.6151089457630843
Energy: 1.2176423342835039
Energy: 1.1632392512010463
Energy: 1.2176423342835039
Energy: 1.1536756901727483
Energy: 1.2171660130291404
Energy: 1.1484483697575656
Energy: 1.2171660130291404
Energy: 1.5672360449128107
Energy: 1.4209258664253088
Energy: 1.1611326273997442
Energy: 1.4209258664253088
Energy: 1.216638780610275
Energy: 1.2727585943185233
Energy: 1.1611563204505544
Energy: 1.2727585943185233
Energy: 1.2171871731698636
Energy: 1.37010299929846
Energy: 1.163622317475177
Energy: 1.37010299929846
Energy: 1.1536148732891847
Energy: 1.370210187493715
Energy: 1.1567609284627824
Energy: 1.370210187493715
Energy: 1.1538618048128562
Energy: 1.420346972707032
Energy: 1.1619902326655822
Energy: 1.420346972707032
Energy: 1.1633929286378002
Energy: 1.2199424475668939
Energy: 1.1554891658720412
Energy: 1.2199424475668939
Energy: 1.1544234022120738
Energy: 1.2177999319809987
Energy: 1.1536380667713726
Energy: 1.2177999319796806

minimum gb energy = 1.1484483697575656 eV
minimum distance =  2.26142049245773 Angstroms
sigma value = 25


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

Energy: 1.1127676218171303
Energy: 1.0520478286211037
Energy: 1.2158920633045407
Energy: 1.0520478286200743
Energy: 1.3997400471448496
Energy: 1.0778947722773675
Energy: 1.0573622403561718
Energy: 1.077894772276385
Energy: 1.0485252617715253
Energy: 1.048049170615418
Energy: 1.3930579801907372
Energy: 1.048049170615418
Energy: 1.0763299565507207
Energy: 1.3718057751302126
Energy: 1.0567528701198574
Energy: 1.3718057751302126
Energy: 1.0557760579208924
Energy: 1.3731950036900824
Energy: 1.0199623300143779
Energy: 1.3731950036900824
Energy: 1.0165708771958397
Energy: 1.3715939476116283
Energy: 1.057254979985008
Energy: 1.3715939476116283
Energy: 1.0568573649251438
Energy: 1.047876756198682
Energy: 1.1051423163718994
Energy: 1.047876756198682
Energy: 1.0124947521062555
Energy: 1.111755605245923
Energy: 1.050564237763296
Energy: 1.111755605245923
Energy: 1.0555823116336691
Energy: 1.0781888499485608
Energy: 1.3978678317515467
Energy: 1.0781888499485608
Energy: 1.0156138336714529
Energy: 1.3523308197964763
Energy: 1.1145377533336163
Energy: 1.3523308198067694
Energy: 1.0570072491613154
Energy: 1.0480726718170579
Energy: 1.6700616475406591
Energy: 1.0480726718170579
Energy: 1.3703692213341703
Energy: 1.514896223303868
Energy: 1.050554075906129
Energy: 1.514896223303868
Energy: 1.055680061461508
Energy: 1.0784539422139743
Energy: 1.3473496748593758
Energy: 1.0784539422129449
Energy: 1.388002022497176
Energy: 1.4643488280217234
Energy: 1.0574626658803468
Energy: 1.4643488280217234
Energy: 1.0570213717976913
Energy: 1.0484078798502037
Energy: 1.0196308007202934
Energy: 1.0484078798502037
Energy: 1.3851000611320419
Energy: 1.514715545846055
Energy: 1.055216021954775
Energy: 1.514715545846055
Energy: 1.055674748160742
Energy: 1.1115687117456112
Energy: 1.0124475701635316
Energy: 1.1115687117466404
Energy: 1.3752684871285068
Energy: 1.3729692415903485
Energy: 1.0575138278416947
Energy: 1.372969241579026
Energy: 1.1202314421388269
Energy: 1.0490002811992243
Energy: 1.0215845377941761
Energy: 1.0490002811992243
Energy: 1.6656264576156896
Energy: 1.5140033305786202
Energy: 1.0619412533477128
Energy: 1.5140033305796494
Energy: 1.055731963157638
Energy: 1.5123909239103344
Energy: 1.0124707998017652
Energy: 1.5123909239103344
Energy: 1.0479195191314832
Energy: 1.078338053608422
Energy: 1.0541138654649376
Energy: 1.0783380536094511
Energy: 1.056788504021127
Energy: 1.1727515440989986
Energy: 1.3998221955830483
Energy: 1.1727515440989986
Energy: 1.0163380265814206
Energy: 1.2393008107656391
Energy: 1.054689439988414
Energy: 1.2393008107656391
Energy: 1.0542567738026767
Energy: 1.512964377190809
Energy: 1.3879361789583173
Energy: 1.5129643771856622
Energy: 1.0166592859084118
Energy: 1.1125710361444276
Energy: 1.0580896047747965
Energy: 1.1125710361444276

minimum gb energy = 1.0124475701635316 eV
minimum distance =  2.26544286717601 Angstroms
sigma value = 41


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

Energy: 1.4578894662441093
Energy: 0.9713691404352243
Energy: 1.366041015551068
Energy: 0.9713691404352243
Energy: 1.4857573102506163
Energy: 0.9495542027324052
Energy: 0.9368681120214137
Energy: 0.9495542027324052
Energy: 0.9697169401049264
Energy: 0.9337349903956004
Energy: 1.654888215060818
Energy: 0.9337349903964441
Energy: 1.2338652539962827
Energy: 1.196924220048041
Energy: 0.9371365829605787
Energy: 1.196924220048041
Energy: 0.9314929644792489
Energy: 1.2344749893877514
Energy: 1.3756846354219343
Energy: 1.2344749893877514
Energy: 0.9632120243633217
Energy: 1.1963493331322692
Energy: 0.9370623189693283
Energy: 1.1963493331322692
Energy: 0.9357884879665097
Energy: 1.1975674763838247
Energy: 0.961114224337364
Energy: 1.1975674763812933
Energy: 0.9131554468737466
Energy: 0.9700720589721454
Energy: 0.9327472304608996
Energy: 0.9700720589721454
Energy: 0.9398414062451922
Energy: 0.9718354110507684
Energy: 1.3626234742447771
Energy: 0.9718354109478945
Energy: 0.9107101358187987
Energy: 1.1862967760288063
Energy: 0.9709512724943357
Energy: 1.1862967760279626
Energy: 0.9358442328073072
Energy: 0.9499309332980493
Energy: 1.6777748052285892
Energy: 0.9499309332988932
Energy: 0.9142591821183016
Energy: 1.2138408321025491
Energy: 1.4586308102999836
Energy: 1.2138408321067684
Energy: 0.9402727147259408
Energy: 1.075497529071386
Energy: 1.6804910777082738
Energy: 1.0754975290696984
Energy: 1.221192225318185
Energy: 1.084636094777816
Energy: 0.9706121789503962
Energy: 1.084636094777816
Energy: 0.9361197851251616
Energy: 0.9498358695657563
Energy: 1.4703726097197019
Energy: 0.9498358695657563
Energy: 1.2421623567133437
Energy: 1.2120524423613548
Energy: 0.9326848220045059
Energy: 1.2120524423613548
Energy: 0.9401027054137322
Energy: 1.0716281614671777
Energy: 1.3222368553059984
Energy: 1.0716281614612706
Energy: 1.2227024333113359
Energy: 1.0737487619895962
Energy: 0.9370409292124969
Energy: 1.0737487619887525
Energy: 0.9360178616032702
Energy: 0.9703318328341191
Energy: 0.9149877684568554
Energy: 0.9703318328349628
Energy: 1.23896452710414
Energy: 1.212701580800833
Energy: 0.9434571975666417
Energy: 1.212701580800833
Energy: 0.9741086357122718
Energy: 1.0702875778318093
Energy: 0.9140309225889264
Energy: 1.0702875778326533
Energy: 1.6727072437475154
Energy: 1.0983707085928185
Energy: 0.937187737216727
Energy: 1.0983707085936623
Energy: 1.461200066495754
Energy: 1.214601527084037
Energy: 0.9194468264147853
Energy: 1.214601527084037
Energy: 1.4591532970062928
Energy: 1.307574441324945
Energy: 0.9397527143077765
Energy: 1.3075744414227561
Energy: 0.9742223574763459
Energy: 1.0754821890859567
Energy: 0.9107324172245199
Energy: 1.0754821890851127
Energy: 1.4649589768063005
Energy: 1.0963247180139508
Energy: 0.9372134802769606
Energy: 1.0963247180147946
Energy: 0.9361210429428913
Energy: 1.2124773521721852
Energy: 1.2355576012086098
Energy: 1.2124773521721852
Energy: 0.9316927176945756
Energy: 1.0716752349400729
Energy: 0.9439242729683853
Energy: 1.0716752349375411
Energy: 0.9400718148656703
Energy: 1.0754356962822775
Energy: 1.2231197491467625
Energy: 1.0754356962822775
Energy: 0.917855223991777
Energy: 1.1260343174000558
Energy: 0.9411123121172733
Energy: 1.1260343174000558
Energy: 0.9440425304130132
Energy: 1.2127534555985215
Energy: 1.2544801776328969
Energy: 1.2127534555985215
Energy: 0.9125634208552642
Energy: 1.0715357202794216
Energy: 0.9790063519092073
Energy: 1.0715357202802653

minimum gb energy = 0.9107101358187987 eV
minimum distance =  2.26062205254851 Angstroms
sigma value = 15


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

Energy: 1.3128935241158501
Energy: 0.8760125834955769
Energy: 1.3050017191859256
Energy: 0.8760125834977214
Energy: 1.5100436303278106
Energy: 0.8722058504550169
Energy: 0.8732078637841139
Energy: 0.8722058504585912
Energy: 0.9042935542151931
Energy: 0.870947972797701
Energy: 1.5492366713038839
Energy: 0.8709479727969861
Energy: 1.3283808645140645
Energy: 0.8731789813105224
Energy: 0.8732158861518612
Energy: 0.873178981312667
Energy: 0.8696075727346864
Energy: 0.9709796327089338
Energy: 0.8601249051643
Energy: 0.9709796327089338
Energy: 1.320812920266423
Energy: 0.8730831117833319
Energy: 0.8730384176036062
Energy: 0.8730831117833319
Energy: 0.8723777617639199
Energy: 1.0928008047483024
Energy: 0.8766017441136552
Energy: 1.0928008047483024
Energy: 1.0710801030261552
Energy: 1.0926106542744305
Energy: 0.8731984095664851
Energy: 1.0926106542730007
Energy: 0.8751383847129678
Energy: 0.8895495515481521
Energy: 1.218017696604202
Energy: 0.8895495515481521
Energy: 0.8339294483070061
Energy: 0.8714973261608271
Energy: 0.8701693783794813
Energy: 0.8714973261636866
Energy: 0.8723981612528658
Energy: 0.8730652496973362
Energy: 1.3292697472944037
Energy: 0.8730652496959064
Energy: 0.8327523289275377
Energy: 0.8715165989002648
Energy: 0.9052452166592839
Energy: 0.8715165988952608
Energy: 0.8747982257745083
Energy: 0.8896074490684819
Energy: 1.6691863142530867
Energy: 0.8896074490684819
Energy: 0.8600764120141584
Energy: 0.8760635958157406
Energy: 1.313552355390279
Energy: 0.8760635958150256
Energy: 0.8725447303184772
Energy: 0.8728569160626903
Energy: 1.681374614591039
Energy: 0.8728569160655498
Energy: 1.0990939398916664
Energy: 1.0802716856974972
Energy: 0.9051590101223654
Energy: 1.0802716856946377
Energy: 0.8749192010449535
Energy: 0.8883484023188851
Energy: 1.497506866994958
Energy: 0.8883484023196
Energy: 1.117535394130852
Energy: 0.9651213077481362
Energy: 0.8703373964294274
Energy: 0.9651213077481362
Energy: 0.8724448027073343
Energy: 0.8714225832520143
Energy: 1.318514878799534
Energy: 0.8714225832512994
Energy: 1.1166692032164194
Energy: 1.080534905035443
Energy: 0.8729790439064133
Energy: 1.0805349050368727
Energy: 0.8751738946060247
Energy: 0.9064218561677722
Energy: 1.096080624237088
Energy: 0.9064218561677722
Energy: 1.1308615816147758
Energy: 0.8873383644597648
Energy: 0.878256681604917
Energy: 0.8873383644540459
Energy: 0.8725939451305572
Energy: 0.8703787676502835
Energy: 0.858637847473278
Energy: 0.8703787676502835
Energy: 1.5540185150574588
Energy: 1.0807241048882699
Energy: 0.8732094048856001
Energy: 1.0807241048875549
Energy: 0.9074714112181018
Energy: 0.9054588907040938
Energy: 0.8563997380602015
Energy: 0.9054588907040938
Energy: 1.5093913465374595
Energy: 0.8869678329586403
Energy: 0.8782914697791709
Energy: 0.8869678329586403
Energy: 1.3153252338056158
Energy: 0.8704287359543145
Energy: 0.8567750828193098
Energy: 0.8704287359543145
Energy: 1.6771388292163938
Energy: 1.0791609058570641
Energy: 0.8732273624932163
Energy: 1.0791609058563494
Energy: 0.9073436423856318
Energy: 0.9977248413483242
Energy: 0.8325125528266366
Energy: 0.9977248413483242
Energy: 1.3276691791870223
Energy: 0.8878770660447262
Energy: 0.878277020359332
Energy: 0.8878770660447262
Energy: 0.8726654062921597
Energy: 0.9657712567193869
Energy: 1.1155833086530078
Energy: 0.9657712567221814
Energy: 1.3132470791808044
Energy: 0.8704811130603362
Energy: 0.8731530403587416
Energy: 0.8704811130567619
Energy: 0.8751335238702256
Energy: 0.9961146625051313
Energy: 1.1159407743242575
Energy: 0.9961146625051313
Energy: 0.8467591432405193
Energy: 0.9051475652847834
Energy: 0.878211398351737
Energy: 0.9051475652847834
Energy: 0.8508503284115074
Energy: 0.964290917839018
Energy: 1.1292264337758406
Energy: 0.9642909178383032
Energy: 0.8375537751475518
Energy: 0.8699366795966916
Energy: 0.8756641841146897
Energy: 0.8699366795966916
Energy: 0.875144937030452
Energy: 0.9989808065108382
Energy: 1.5577775673040732
Energy: 0.9989808065108382

minimum gb energy = 0.8325125528266366 eV
minimum distance =  2.25617807351785 Angstroms
sigma value = 85


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

Energy: 1.2244136518049251
Energy: 0.8477138930291269
Energy: 0.899588465345376
Energy: 0.8477138930291269
Energy: 1.5251237589098805
Energy: 0.842691065186525
Energy: 0.7990681156903119
Energy: 0.842691065177845
Energy: 1.1793518055004917
Energy: 0.8424715569840557
Energy: 1.607025369898616
Energy: 0.8424715569834357
Energy: 1.4871835556256108
Energy: 0.8428988517379846
Energy: 0.7987378316801588
Energy: 0.8428988517379846
Energy: 0.8414311512556999
Energy: 0.7962637239158926
Energy: 0.7435990374705739
Energy: 0.7962637239158926
Energy: 1.3214572432454135
Energy: 0.8435527486474237
Energy: 0.7987064613399572
Energy: 0.8435527486480437
Energy: 0.7950465100914869
Energy: 1.0335225484122825
Energy: 0.7963113120027716
Energy: 1.0335225484122825
Energy: 1.1557358911850601
Energy: 0.8418328230831527
Energy: 0.7987448587154199
Energy: 0.8418328230831527
Energy: 0.797933672096042
Energy: 0.9887576728249201
Energy: 1.0166523777744432
Energy: 0.9887576728249201
Energy: 0.9514602783869288
Energy: 1.033363997248192
Energy: 0.7958506977716902
Energy: 1.033363997248812
Energy: 0.8001918525338892
Energy: 0.8426795420219184
Energy: 1.2017021356453583
Energy: 0.8426795420219184
Energy: 0.7438595340080422
Energy: 0.8418278399652767
Energy: 0.8420248074400339
Energy: 0.8418278399646566
Energy: 0.797987274333473
Energy: 0.8172748221671845
Energy: 1.3660147465545989
Energy: 0.8172748221671845
Energy: 0.7428251573048891
Energy: 0.8429618238769345
Energy: 1.1800716136241867
Energy: 0.8429618238763146
Energy: 0.8009845338751512
Energy: 0.8426635805766238
Energy: 1.6436561413113138
Energy: 0.8426635805766238
Energy: 0.7441451490504959
Energy: 0.8479475544315491
Energy: 1.2248749987841174
Energy: 0.8479475544315491
Energy: 0.798158940540646
Energy: 0.8172968384796563
Energy: 1.6437491879834754
Energy: 0.8172968384796563
Energy: 0.9584665756389472
Energy: 0.8428517152416953
Energy: 1.1802205753165242
Energy: 0.8428517152416953
Energy: 0.8000597065426194
Energy: 0.8427776159528401
Energy: 1.4865089558327236
Energy: 0.8427776159528401
Energy: 0.9718154266122708
Energy: 0.8481428278566843
Energy: 0.8422449069401831
Energy: 0.8481428278566843
Energy: 0.7979577476778126
Energy: 0.8172402198395107
Energy: 1.3115260694429187
Energy: 0.8172402198395107
Energy: 0.9726115840289676
Energy: 1.0092678856225916
Energy: 0.7958522615751874
Energy: 1.0092678856225916
Energy: 0.7998662038586156
Energy: 0.8413034870228788
Energy: 1.1547942692080113
Energy: 0.8413034870234988
Energy: 0.9908657233393723
Energy: 0.8721778295417303
Energy: 0.7983843829650281
Energy: 0.8721778295417303
Energy: 0.7981506545630139
Energy: 0.8413595128947213
Energy: 0.9513711934245572
Energy: 0.8413595128947213
Energy: 1.3776084173869951
Energy: 1.009468615508332
Energy: 0.7997922131210111
Energy: 1.009468615508332
Energy: 0.8441849739714677
Energy: 0.8413254500448
Energy: 0.74399633005277
Energy: 0.84132545004418
Energy: 1.3832079938884991
Energy: 0.8723952742923193
Energy: 0.7985914539010576
Energy: 0.8723952742923193
Energy: 1.1823936906498533
Energy: 1.0099778703662912
Energy: 0.7450127240747424
Energy: 1.0099778703662912
Energy: 1.6439564149209442
Energy: 1.0092432532961566
Energy: 0.800406405542856
Energy: 1.0092432532961566
Energy: 1.2271921401179444
Energy: 0.8414403136791663
Energy: 0.744536757931518
Energy: 0.8414403136797861
Energy: 1.5122208469561758
Energy: 0.8724943545960385
Energy: 0.7990054188606869
Energy: 0.8724943545966586
Energy: 1.1823634065550344
Energy: 1.0100730176034614
Energy: 0.7425800961533345
Energy: 1.0100730176034614
Energy: 1.4864403708289229
Energy: 1.0092982667776313
Energy: 0.8005980581448263
Energy: 1.0092982667770112
Energy: 0.8444059879918122
Energy: 0.841352897760322
Energy: 0.9717951690473297
Energy: 0.8413528977597019
Energy: 1.1637996300720725
Energy: 0.8686176410550533
Energy: 0.799110618078796
Energy: 0.8686176410550533
Energy: 0.798160442027223
Energy: 1.0092495677464026
Energy: 0.9732751513102336
Energy: 1.0092495677464026
Energy: 1.1564791358135476
Energy: 0.8411304856887368
Energy: 0.8001031337437473
Energy: 0.841130485688117
Energy: 0.7997257811051289
Energy: 0.841331319565113
Energy: 0.9935667901515388
Energy: 0.8413313195657329
Energy: 0.7611894859206416
Energy: 0.8963522431299028
Energy: 0.7998862521891993
Energy: 0.8963522431299028
Energy: 0.7977671485189626
Energy: 1.0092535399742943
Energy: 1.3670774314123564
Energy: 1.0092535399742943
Energy: 0.7463784723537314
Energy: 0.8412099442781846
Energy: 0.8473432674202116
Energy: 0.8412099442781846
Energy: 0.7998049358541472
Energy: 0.8412278052413514
Energy: 1.3832193867530687
Energy: 0.8412278052419715

minimum gb energy = 0.7425800961533345 eV
minimum distance =  2.26917452111259 Angstroms
sigma value = 113


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

Energy: 0.020946917041201257
Energy: 0.023951222133500934
Energy: 1.094988347004819
Energy: 0.023951222133500934
Energy: 1.094214187435
Energy: 0.3714219328378525
Energy: 0.372117799713135
Energy: 0.3714219328382762
Energy: 0.02094691704072463
Energy: 0.023951222133500934
Energy: 1.0949760282850902
Energy: 0.023951222133500934
Energy: 1.094214187435
Energy: 0.3714219328382762
Energy: 0.37211779980162885
Energy: 0.3714219328382762
Energy: 0.020946917041201257
Energy: 0.023951222133977563
Energy: 1.0949917739972814
Energy: 0.023951222133500934
Energy: 1.094214187435
Energy: 0.3714219328382762
Energy: 0.3721177997569317
Energy: 0.3714219328378525

minimum gb energy = 0.02094691704072463 eV
minimum distance =  2.45075687949457 Angstroms
sigma value = 1