Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61472986638546
cohesive_energy=3.5402784093299027
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.76878552828076e-19, 3.1904143312842e-19, 3.5451362380517994e-19, 3.8490691455216e-19, 4.1124990276838794e-19, 4.34250750526092e-19, 4.54423756524786e-19, 4.721582496865319e-19, 4.8775864357179e-19, 5.01463662499026e-19, 5.13475180724124e-19, 5.23953415910484e-19, 5.3303775742526395e-19, 5.40845164162746e-19, 5.47476573250872e-19, 5.53020104404512e-19, 5.57552662102098e-19, 5.61141537762258e-19, 5.6384601192045e-19, 5.6572055858223e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65558738742196e-19, 5.633317132209359e-19, 5.599334965802219e-19, 5.84600608037286e-19, 5.795938060560359e-19, 5.72792566244706e-19, 5.6385722715688795e-19, 5.52377631574278e-19, 5.3785229821043395e-19, 5.196643890612659e-19, 4.97054472402258e-19, 4.6907726401935e-19, 4.34540744496846e-19, 3.91945276505322e-19, 3.3936023720080794e-19, 2.7429744627070197e-19, 1.93491667734912e-19, 9.2610615975102e-20, 8.87163654485016e-20, -4.76745281389674e-20, -2.2119009738350397e-19, -4.441089433550939e-19, -7.3385297455419e-19, -1.1156388490233178e-18, -1.5097983336368279e-18, -2.14374437982468e-18, -2.6998919330187602e-18, -3.4383992306947195e-18, -3.0094965457729197e-18]
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: 347.2721356434556
Energy: 368.45290649898504
Energy: 359.9970802153669
Energy: 368.4529064989845
Energy: 368.4529064989845
Energy: 374.13929463440786
Energy: 368.4529064989845
Energy: 374.13929463440786
Energy: 359.99708021536804
Energy: 368.45290649898504
Energy: 347.2721356434556
Energy: 368.4529064989845
Energy: 368.4529064989845
Energy: 374.13929463440786
Energy: 368.4529064989845
Energy: 374.13929463440786

minimum gb energy = 347.2721356434556 eV
minimum distance =  2.24896205513958 Angstroms
sigma value = 1


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

Energy: 554.9202888042784
Energy: 563.5842370807458
Energy: 563.1824199766796
Energy: 563.5842370807466
Energy: 561.8158574871413
Energy: 563.6473345967281
Energy: 562.0674615961807
Energy: 563.6473345967274
Energy: 565.2202746888736
Energy: 564.9881099196149
Energy: 556.3289572516871
Energy: 564.9881099196149
Energy: 562.1498082156048
Energy: 564.2121098017878
Energy: 562.1407707879398
Energy: 564.2121098017878
Energy: 556.1635229809575
Energy: 564.8186696422296
Energy: 563.6866764613204
Energy: 564.8186696422296
Energy: 565.1041308657057
Energy: 563.8671588660842
Energy: 563.6263775618506
Energy: 563.867158866085
Energy: 561.9909611888164
Energy: 564.1568896737093
Energy: 558.3558039275779
Energy: 564.1568896737086
Energy: 565.0884734847318
Energy: 564.5908645128869
Energy: 561.9670344517202
Energy: 564.5908645128877
Energy: 560.4303914368638
Energy: 564.2193043544403
Energy: 564.7657326307819
Energy: 564.2193043544403
Energy: 562.0524872710433
Energy: 565.9037047053895
Energy: 561.8589463984215
Energy: 565.9037047053895
Energy: 563.0950001230642
Energy: 563.6015578551892
Energy: 561.366387923225
Energy: 563.6015578551892
Energy: 561.9597922314648
Energy: 563.7282426510699
Energy: 563.6070008633678
Energy: 563.7282426510699
Energy: 564.5775828583104
Energy: 563.2745139603866
Energy: 561.4641686021977
Energy: 563.2745139603874
Energy: 561.9727225416432
Energy: 563.9060838428868
Energy: 562.3335945997487
Energy: 563.9060838428868
Energy: 558.4660981908846
Energy: 565.0023645154304
Energy: 563.4561080079011
Energy: 565.0023645154304
Energy: 560.5928216425035
Energy: 565.184251117349
Energy: 565.2852007264011
Energy: 565.184251117349
Energy: 561.920594849167
Energy: 563.060646508385
Energy: 558.299374941953
Energy: 563.0606465083857
Energy: 561.756834580252
Energy: 565.2849973660288
Energy: 560.5959413569982
Energy: 565.284997366028
Energy: 557.3802044333368
Energy: 561.9003033309505
Energy: 564.6321664019964
Energy: 561.9003033309511
Energy: 559.6908370099718
Energy: 563.9346494128326
Energy: 563.1199466153075
Energy: 563.9346494128333
Energy: 562.1214892070781
Energy: 561.7567190596491
Energy: 555.8695403764979
Energy: 561.7567190596491
Energy: 562.0589730963945
Energy: 564.786228314917
Energy: 562.0439385390549
Energy: 564.786228314917
Energy: 561.0102633506384
Energy: 563.9569464010862
Energy: 561.9489014875141
Energy: 563.9569464010862
Energy: 565.1284235397659
Energy: 562.7051326581237
Energy: 563.6032628202415
Energy: 562.7051326581245
Energy: 562.137509323747
Energy: 562.8975877931533
Energy: 558.7771678493376
Energy: 562.8975877931533
Energy: 561.918680035016
Energy: 565.5640257130344
Energy: 563.9602836779216
Energy: 565.5640257130344
Energy: 565.0827578672491
Energy: 564.8587057834987
Energy: 561.0440377006246
Energy: 564.8587057834987
Energy: 562.017656953369
Energy: 564.2033357798742
Energy: 561.9375261104185
Energy: 564.2033357798742
Energy: 560.7812584489944
Energy: 564.0460070507611
Energy: 565.0542446499637
Energy: 564.0460070507603
Energy: 562.4033952273069
Energy: 562.4792449626771
Energy: 562.7162176388284
Energy: 562.4792449626771
Energy: 564.4677601232673
Energy: 562.4887657156958
Energy: 558.4859674923782
Energy: 562.488765715695
Energy: 561.9849309779981
Energy: 564.4431697597522
Energy: 560.6038104915361
Energy: 564.4431697597514
Energy: 558.4254321408827
Energy: 561.7403361891662
Energy: 564.7352914069799
Energy: 561.7403361891662

minimum gb energy = 554.9202888042784 eV
minimum distance =  2.27010895892275 Angstroms
sigma value = 1


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

Energy: 490.155686529937
Energy: 493.05212372126357
Energy: 495.5798182622644
Energy: 493.0521237212601
Energy: 497.6183694088077
Energy: 497.304964883267
Energy: 497.31183896715123
Energy: 497.304964883267
Energy: 493.1433844599753
Energy: 493.9706949377972
Energy: 486.7111788024834
Energy: 493.97069493779804
Energy: 496.40040132835463
Energy: 496.82437676610766
Energy: 492.94483663798655
Energy: 496.82437676610766
Energy: 489.7777424851519
Energy: 496.20760189358225
Energy: 494.65774565250814
Energy: 496.20760189358225
Energy: 493.2197934015181
Energy: 497.55690845626566
Energy: 495.0302693807121
Energy: 497.55690845626566
Energy: 492.800268780644
Energy: 495.64609741916667
Energy: 489.73788979816135
Energy: 495.64609741916667
Energy: 495.5168323685781
Energy: 496.83773549001893
Energy: 493.2131869280216
Energy: 496.8377354900198
Energy: 497.2000527989494
Energy: 495.91372213269796
Energy: 491.7168651155381
Energy: 495.91372213269796
Energy: 496.12409453223995
Energy: 496.7166972313359
Energy: 496.6675792994443
Energy: 496.7166972313359
Energy: 491.3772157456299
Energy: 496.26764163039053
Energy: 494.8302240871393
Energy: 496.26764163039053
Energy: 493.660780988097
Energy: 493.0673849873001
Energy: 496.18192431703915
Energy: 493.06738498730095
Energy: 496.5375348470529
Energy: 494.9222011421832
Energy: 488.8603970611981
Energy: 494.9222011421832
Energy: 495.7943651477766
Energy: 495.3303314694451
Energy: 491.62882880416504
Energy: 495.3303314694442
Energy: 488.7671123207979
Energy: 493.0447910588599
Energy: 496.47731376195907
Energy: 493.0447910588599
Energy: 494.018215749272
Energy: 494.61067983137167
Energy: 496.2512992636267
Energy: 494.61067983137167
Energy: 496.77540747600744
Energy: 493.05344141462047
Energy: 487.81713466960974
Energy: 493.0534414146213
Energy: 493.3134136572655
Energy: 493.1441828240572
Energy: 490.53909270589253
Energy: 493.1441828240572
Energy: 489.742351758437
Energy: 496.6931890812432
Energy: 493.2059946948243
Energy: 496.6931890812432
Energy: 495.9105735117693
Energy: 496.59815182859967
Energy: 496.26219502972737
Energy: 496.59815182859967
Energy: 493.18650227614506
Energy: 496.1858358982909
Energy: 491.3421350702662
Energy: 496.1858358982919
Energy: 495.002279911368
Energy: 496.7898820133799
Energy: 495.86190938366383
Energy: 496.78988201337904
Energy: 495.21953631612695
Energy: 496.75587463368004
Energy: 492.1636767454783
Energy: 496.75587463368004
Energy: 496.4498049334918
Energy: 494.3554986751637
Energy: 496.21553626310043
Energy: 494.3554986751637
Energy: 493.40524529451415
Energy: 495.0042959284955
Energy: 492.7120157912903
Energy: 495.0042959284955
Energy: 493.1770839258048
Energy: 492.7710461276137
Energy: 495.39694999930816
Energy: 492.77104612761286
Energy: 495.94778825375687
Energy: 495.60225761118
Energy: 488.86552906110785
Energy: 495.60225761118
Energy: 493.334030852898
Energy: 495.6674214073431
Energy: 493.27661998933144
Energy: 495.6674214073431
Energy: 489.31145529350266
Energy: 494.9592039423644
Energy: 493.17889866187727
Energy: 494.9592039423644

minimum gb energy = 486.7111788024834 eV
minimum distance =  2.26700825266822 Angstroms
sigma value = 25


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

Energy: 419.1080785663963
Energy: 424.5393155125879
Energy: 425.9513564358667
Energy: 424.5393155125889
Energy: 425.9058885157327
Energy: 428.82045883365714
Energy: 424.67130172986907
Energy: 428.82045883365714
Energy: 424.42042514197976
Energy: 424.62455663470547
Energy: 417.67967830972503
Energy: 424.6245566347065
Energy: 424.3673867814835
Energy: 428.85279201895605
Energy: 429.6638948707327
Energy: 428.85279201895605
Energy: 420.78867191840214
Energy: 428.4014717001317
Energy: 426.23758838336954
Energy: 428.4014717001317
Energy: 424.618028076992
Energy: 428.7044756981485
Energy: 426.80217896208705
Energy: 428.7044756981497
Energy: 427.7311851806122
Energy: 428.81313214340366
Energy: 421.5153744816558
Energy: 428.81313214340366
Energy: 428.264822746327
Energy: 429.294720600343
Energy: 424.51309699215
Energy: 429.294720600343
Energy: 424.72272931351586
Energy: 428.4481117814133
Energy: 425.17072397929223
Energy: 428.4481117814133
Energy: 427.72796390042834
Energy: 428.90845231250535
Energy: 427.47289729815935
Energy: 428.9084523125042
Energy: 425.72737248549544
Energy: 426.86658451910336
Energy: 424.8736407737315
Energy: 426.86658451910245
Energy: 424.9482538757753
Energy: 424.5604388301797
Energy: 428.3877874551625
Energy: 424.5604388301808
Energy: 427.81144184451887
Energy: 424.51028914094974
Energy: 419.15655403519196
Energy: 424.5102891409517
Energy: 429.48831117023616
Energy: 429.1879322944135
Energy: 422.7937621626091
Energy: 429.18793229441246
Energy: 417.69068643469166
Energy: 427.75213762908703
Energy: 427.21281142018887
Energy: 427.75213762908703
Energy: 421.39068692483517
Energy: 428.36238216460777
Energy: 428.26506508504264
Energy: 428.36238216460777
Energy: 427.92330660615966
Energy: 424.5483598740144
Energy: 421.1293744636728
Energy: 424.5483598740144
Energy: 428.2874225698171
Energy: 426.96656865611993
Energy: 426.7045438087745
Energy: 426.96656865611993
Energy: 420.97309713163975
Energy: 428.34075656655705
Energy: 428.06899939144137
Energy: 428.34075656655807
Energy: 428.68483953404376
Energy: 427.6091160550267
Energy: 428.1842764922605
Energy: 427.6091160550267
Energy: 422.9203166325474
Energy: 426.6159875770617
Energy: 425.04095920488606
Energy: 426.6159875770617
Energy: 424.6560396162276
Energy: 428.9823728882493
Energy: 428.2265133766588
Energy: 428.9823728882493
Energy: 428.0857279015657
Energy: 427.653228904421
Energy: 422.9578905258845
Energy: 427.653228904421
Energy: 424.5881392390769
Energy: 428.70654270412723
Energy: 422.8588385145998
Energy: 428.70654270412723
Energy: 419.8647954521478
Energy: 428.986180247623
Energy: 428.0107594321223
Energy: 428.98618024762413

minimum gb energy = 417.67967830972503 eV
minimum distance =  2.2242744941667 Angstroms
sigma value = 9


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

Energy: 350.0400886452781
Energy: 361.51033852970545
Energy: 360.29166752699047
Energy: 361.51033852970545
Energy: 361.3689746658778
Energy: 362.0885276290796
Energy: 360.8037298331357
Energy: 362.0885276290796
Energy: 356.64815552478854
Energy: 356.3011312851303
Energy: 352.06641994329937
Energy: 356.30113128586976
Energy: 360.3183462156417
Energy: 362.2194221301251
Energy: 360.83831086867525
Energy: 362.2194221301251
Energy: 352.92214339888295
Energy: 359.6330665965222
Energy: 359.86625158471645
Energy: 359.6330665965222
Energy: 357.8317241497557
Energy: 360.24017217515126
Energy: 361.0419692459597
Energy: 360.24017217515126
Energy: 355.4014448139009
Energy: 361.05608116493863
Energy: 361.71546793322824
Energy: 361.05608116493863
Energy: 360.9750978181884
Energy: 360.7693121183608
Energy: 360.4183168902681
Energy: 360.7693121183596
Energy: 357.1365654709659
Energy: 361.12142754594936
Energy: 356.83623552078916
Energy: 361.12142754594936
Energy: 358.1557851762616
Energy: 359.8645723085531
Energy: 356.27815257349613
Energy: 359.8645723085531
Energy: 350.33269235946847
Energy: 358.4890502183414
Energy: 359.2464394350832
Energy: 358.4890502183414
Energy: 354.47695033240507
Energy: 361.3792453337143
Energy: 359.4532647607153
Energy: 361.3792453337155
Energy: 361.3370071901415
Energy: 359.6809553676924
Energy: 353.69139148952377
Energy: 359.6809553676924
Energy: 360.3419705863251
Energy: 360.17262258319005
Energy: 352.90383091312333
Energy: 360.17262258319005
Energy: 352.8428429195841
Energy: 358.3516201552112
Energy: 359.17059914289507
Energy: 358.35162015521
Energy: 356.48274744162717
Energy: 360.4141843982428
Energy: 359.35493974236186
Energy: 360.4141843982428
Energy: 354.56872052043315
Energy: 360.29443391963173
Energy: 356.1038667937282
Energy: 360.29443391963173
Energy: 356.52345889855917
Energy: 360.6848602170782
Energy: 359.1578499058334
Energy: 360.6848602170782
Energy: 357.98698100908655
Energy: 361.0025647687872
Energy: 357.21297322583075
Energy: 361.0025647687884
Energy: 360.60574869024583
Energy: 358.4422398449332
Energy: 355.54890859926985
Energy: 358.4422398449332
Energy: 350.5907536195049
Energy: 360.1837018929793
Energy: 356.3697521725941
Energy: 360.1837018929793

minimum gb energy = 350.0400886452781 eV
minimum distance =  2.26282348451891 Angstroms
sigma value = 25


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

Energy: 424.0706006310054
Energy: 437.47761610203014
Energy: 437.80694609138004
Energy: 437.47761610203014
Energy: 432.19944705539916
Energy: 432.3571199883427
Energy: 437.4503552294967
Energy: 432.3571199883427
Energy: 435.72255914648434
Energy: 432.2511287269562
Energy: 427.30868134846634
Energy: 432.2511287269562
Energy: 437.0563581320468
Energy: 437.1022893959941
Energy: 437.15241862655546
Energy: 437.1022893959941
Energy: 426.9825250698742
Energy: 433.3079309700041
Energy: 436.5852059724441
Energy: 433.3079309700041
Energy: 437.6405698610398
Energy: 437.189133823656
Energy: 436.9111864769541
Energy: 437.189133823656
Energy: 429.637885482436
Energy: 432.54379995307715
Energy: 434.2259882814499
Energy: 432.54379995307715
Energy: 432.547288269128
Energy: 437.9111127650725
Energy: 436.91627786597775
Energy: 437.9111127650725
Energy: 434.3782318338174
Energy: 433.15706971419877
Energy: 430.3167364070905
Energy: 433.1570697142003
Energy: 437.78637244812256
Energy: 437.59618540365284
Energy: 429.48377231802084
Energy: 437.59618540365284
Energy: 428.31926413293917
Energy: 436.9125514455871
Energy: 437.98800419847817
Energy: 436.9125514455871
Energy: 427.3706480009098
Energy: 438.2804889385162
Energy: 437.04983932117875
Energy: 438.2804889385162
Energy: 432.08071621127004
Energy: 436.5049338544774
Energy: 427.0904640588648
Energy: 436.5049338544774
Energy: 436.9106229092961
Energy: 437.6601874731739
Energy: 435.89698765403864
Energy: 437.6601874731739
Energy: 435.2302129615035
Energy: 434.54370786512794
Energy: 432.3117013395876
Energy: 434.54370786512794
Energy: 432.07816145577004
Energy: 435.6181268406752
Energy: 430.601138443991
Energy: 435.6181268406767
Energy: 433.05991576525224
Energy: 432.49735946805146
Energy: 435.03192553245236
Energy: 432.49735946805004

minimum gb energy = 424.0706006310054 eV
minimum distance =  2.26404403600082 Angstroms
sigma value = 17


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

Energy: 504.8341888202952
Energy: 512.117954794108
Energy: 512.4831061956511
Energy: 512.117954794107
Energy: 510.3411992122514
Energy: 512.2656442871425
Energy: 508.762625323006
Energy: 512.2656442871425
Energy: 506.6494059751859
Energy: 510.8813014390541
Energy: 507.03633862755817
Energy: 510.8813014390541
Energy: 510.8029619513578
Energy: 512.2138260813433
Energy: 507.0446191079384
Energy: 512.2138260813433
Energy: 511.38589487917125
Energy: 507.9079823214012
Energy: 507.32818633867527
Energy: 507.9079823214004
Energy: 506.9601057095557
Energy: 511.1475697470704
Energy: 511.4096967721953
Energy: 511.14756974706944
Energy: 502.895560114449
Energy: 511.78661499660944
Energy: 510.2044225550674
Energy: 511.78661499660944
Energy: 505.84614718119064
Energy: 511.6689180236931
Energy: 509.8497693178756
Energy: 511.6689180236931
Energy: 508.51497316742547
Energy: 506.7445835463269
Energy: 501.48518190013397
Energy: 506.7445835463269
Energy: 511.96748810889216
Energy: 508.10010672499163
Energy: 504.599294880844
Energy: 508.10010672499163
Energy: 504.04285337759666
Energy: 511.89682583045226
Energy: 510.41559460458427
Energy: 511.89682583045226
Energy: 511.7914429984161
Energy: 509.84133684952684
Energy: 510.05493235447165
Energy: 509.84133684952684
Energy: 507.7779205107146
Energy: 510.7727213331882
Energy: 511.4894219866158
Energy: 510.7727213331882
Energy: 507.16170389521506
Energy: 510.0966536654584
Energy: 511.3368156857879
Energy: 510.0966536654584
Energy: 507.1496839421386
Energy: 509.33842043291537
Energy: 503.08021300739097
Energy: 509.33842043291537
Energy: 511.86594206376816
Energy: 510.4361077477966
Energy: 502.88386965873235
Energy: 510.43610774779745
Energy: 506.0736872631963
Energy: 511.2037068345442
Energy: 510.80574780956533
Energy: 511.2037068345442
Energy: 504.3252426018104
Energy: 510.8934923812461
Energy: 511.0671632963537
Energy: 510.89349238124527
Energy: 511.1833083811681
Energy: 510.44934260897645
Energy: 511.2498517707176
Energy: 510.44934260897645
Energy: 507.43409580953727
Energy: 510.8330944722687
Energy: 511.4126949950001
Energy: 510.8330944722687
Energy: 508.7488248512793
Energy: 511.81724219495766
Energy: 505.99610775010245
Energy: 511.81724219495686
Energy: 511.60551668509316
Energy: 508.9176052949193
Energy: 503.7661406084567
Energy: 508.9176052949193
Energy: 506.332555191917
Energy: 512.3737670776533
Energy: 510.6711331913788
Energy: 512.3737670776542
Energy: 501.57735727651936
Energy: 506.9147682349884
Energy: 511.9266095179653
Energy: 506.9147682349884
Energy: 511.51751524898515
Energy: 512.3806839448365
Energy: 511.7259017511302
Energy: 512.3806839448365
Energy: 511.5963176305089
Energy: 509.39019412761405
Energy: 504.44472408767973
Energy: 509.39019412761326
Energy: 509.9219603899353
Energy: 510.9070386687059
Energy: 511.00686217100315
Energy: 510.9070386687059
Energy: 509.45670322868364
Energy: 511.13380898170465
Energy: 505.3429618830125
Energy: 511.13380898170465
Energy: 507.10433016573165
Energy: 511.6858261362926
Energy: 505.28136033484907
Energy: 511.6858261362926
Energy: 502.68356141136604
Energy: 512.1441719026433
Energy: 511.26475116109907
Energy: 512.1441719026425

minimum gb energy = 501.48518190013397 eV
minimum distance =  2.2417034452646 Angstroms
sigma value = 53


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

Energy: 439.1338978351102
Energy: 448.59725712009555
Energy: 446.6889884338554
Energy: 448.59725712009555
Energy: 448.6392559040454
Energy: 449.93661245818987
Energy: 449.16047958429164
Energy: 449.93661245818987
Energy: 447.1289746016752
Energy: 449.2111811124744
Energy: 435.9480815739893
Energy: 449.2111811124744
Energy: 449.1621218059503
Energy: 442.23156458693455
Energy: 448.6572855607907
Energy: 442.23156458693455
Energy: 442.3139415486882
Energy: 444.70012941092386
Energy: 439.9537450312237
Energy: 444.70012941092386
Energy: 448.852822173864
Energy: 449.25558934989914
Energy: 439.35684085162944
Energy: 449.25558934989914
Energy: 443.16209264567215
Energy: 444.37726302193624
Energy: 445.77336222862493
Energy: 444.37726302193624
Energy: 442.8389729548966
Energy: 449.7514271782138
Energy: 444.2745850840359
Energy: 449.7514271782138
Energy: 442.45244608634044
Energy: 448.17163356819066
Energy: 435.7996134266867
Energy: 448.1716335681887
Energy: 444.21483365491997
Energy: 443.1434110957019
Energy: 447.8827517076302
Energy: 443.1434110957019
Energy: 449.611980072869
Energy: 449.01535413296557
Energy: 441.9573273851954
Energy: 449.01535413296557
Energy: 448.76354496587606
Energy: 449.2006061650053
Energy: 440.59235027842664
Energy: 449.2006061650053
Energy: 439.92493809328676
Energy: 447.66420322649304
Energy: 442.21199414506924
Energy: 447.66420322649304

minimum gb energy = 435.7996134266867 eV
minimum distance =  2.25229390245775 Angstroms
sigma value = 9


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

Energy: 588.563802344169
Energy: 599.0116583993114
Energy: 595.9578981518077
Energy: 599.0116583993107
Energy: 597.6295031375569
Energy: 599.1432897348403
Energy: 598.3922399621209
Energy: 599.143289734841
Energy: 596.7810377278927
Energy: 599.3219579917692
Energy: 593.6362709946352
Energy: 599.3219579917698
Energy: 598.4707405956924
Energy: 597.346145382997
Energy: 598.8827118994408
Energy: 597.346145382997
Energy: 597.3733504322029
Energy: 597.120227784043
Energy: 597.0867885441061
Energy: 597.120227784043
Energy: 598.7971023480092
Energy: 598.9999341730401
Energy: 596.4290859565143
Energy: 598.9999341730407
Energy: 590.1545456037711
Energy: 599.5720716317805
Energy: 594.4085909459884
Energy: 599.5720716317805
Energy: 590.172071509152
Energy: 599.5657817520164
Energy: 596.7226800479197
Energy: 599.565781752017
Energy: 597.8972809922785
Energy: 596.9590205786376
Energy: 591.836245926435
Energy: 596.9590205786376
Energy: 593.0553840600977
Energy: 599.0739908887078
Energy: 598.461198108003
Energy: 599.0739908887072
Energy: 595.5319247822898
Energy: 598.0262780910668
Energy: 595.3591168638399
Energy: 598.0262780910668
Energy: 597.0555079194339
Energy: 597.7891873102701
Energy: 592.2147337313194
Energy: 597.7891873102694
Energy: 592.2236482026378
Energy: 597.3892548204303
Energy: 596.1229894636057
Energy: 597.3892548204295
Energy: 595.4286144117574
Energy: 596.190838553229
Energy: 597.1641432620434
Energy: 596.1908385532284
Energy: 599.0470867445431
Energy: 599.5724966727552
Energy: 594.2947662550544
Energy: 599.572496672756
Energy: 595.841343732189
Energy: 598.6169187527843
Energy: 597.2203486412925
Energy: 598.6169187527843
Energy: 594.5290364115125
Energy: 596.5465818900955
Energy: 597.5711556774039
Energy: 596.5465818900955
Energy: 594.34672728466
Energy: 596.6258041158836
Energy: 589.0629687986182
Energy: 596.6258041158836
Energy: 595.9650701985146
Energy: 595.7004953056215
Energy: 593.9666036458466
Energy: 595.7004953056222
Energy: 592.000135888262
Energy: 598.2753520392092
Energy: 598.1287843730164
Energy: 598.2753520392092
Energy: 597.882023537775
Energy: 598.1026432070798
Energy: 598.2946750289819
Energy: 598.1026432070798
Energy: 595.4039783044225
Energy: 599.3909570952652
Energy: 598.7014092651926
Energy: 599.3909570952652
Energy: 595.7185057914703
Energy: 598.0163626134271
Energy: 598.9033198514411
Energy: 598.0163626134271
Energy: 594.275428134379
Energy: 594.2536454234786
Energy: 590.7301352761873
Energy: 594.2536454234786
Energy: 594.4520172507814
Energy: 598.330639959828
Energy: 589.4736370278785
Energy: 598.330639959828
Energy: 592.4306131228801
Energy: 596.0449008711145
Energy: 594.4571143320381
Energy: 596.0449008711145
Energy: 594.8778407625606
Energy: 595.5271371882158
Energy: 592.9946276058414
Energy: 595.5271371882158
Energy: 595.6810903466632
Energy: 599.2939670776552
Energy: 598.1010820333789
Energy: 599.2939670776552
Energy: 590.7950167935361
Energy: 599.7315569208102
Energy: 596.8511985569571
Energy: 599.7315569208102
Energy: 599.01053812194
Energy: 599.6550367726991
Energy: 592.0134118908171
Energy: 599.6550367726984
Energy: 595.4308123838933
Energy: 597.0435283802458
Energy: 589.8181523984539
Energy: 597.0435283802458
Energy: 594.9285130614232
Energy: 595.7816764408457
Energy: 596.8694710540548
Energy: 595.7816764408457
Energy: 596.3101217485945
Energy: 599.3968884536715
Energy: 593.4460170609411
Energy: 599.3968884536715
Energy: 595.894747074317
Energy: 596.236743820563
Energy: 596.6372227495577
Energy: 596.236743820563
Energy: 588.8058016315456
Energy: 594.2026005968887
Energy: 598.5828231239226
Energy: 594.2026005968895

minimum gb energy = 588.563802344169 eV
minimum distance =  2.26384880563639 Angstroms
sigma value = 73


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

Energy: 369.1393490599551
Energy: 378.1341306452085
Energy: 378.2435221060819
Energy: 378.1341306452085
Energy: 377.4312085079106
Energy: 377.0776746439557
Energy: 376.53466720411797
Energy: 377.0776746439557
Energy: 375.4009396568147
Energy: 377.1952005099408
Energy: 370.9907086311302
Energy: 377.1952005099408
Energy: 375.8153280069096
Energy: 376.1383969846652
Energy: 377.3771181256625
Energy: 376.1383969846652
Energy: 373.8007139245349
Energy: 377.32498291583937
Energy: 376.04085517628096
Energy: 377.32498291583937
Energy: 376.53102355614317
Energy: 376.7314658977322
Energy: 375.8710467017968
Energy: 376.7314658977322
Energy: 372.6069262700874
Energy: 377.48777989262334
Energy: 377.5456233664661
Energy: 377.48777989262334
Energy: 372.4423055226473
Energy: 377.5181921852724
Energy: 377.1085150870148
Energy: 377.5181921852724
Energy: 377.231430889137
Energy: 375.8805861049769
Energy: 376.1090259869295
Energy: 375.8805861049769
Energy: 375.4167569404783
Energy: 374.84974076398265
Energy: 377.5503460485064
Energy: 374.84974076398265
Energy: 373.8469056555717
Energy: 374.05974895191224
Energy: 373.7904091131164
Energy: 374.05974895191224
Energy: 373.7516587435648
Energy: 377.8446038599503
Energy: 370.51975691621914
Energy: 377.8446038599503
Energy: 371.3757938647655
Energy: 377.58680317375473
Energy: 375.6132633195812
Energy: 377.58680317375473
Energy: 371.84103233630236
Energy: 375.62951786729536
Energy: 374.8258360967694
Energy: 375.62951786729536
Energy: 374.1633515832543
Energy: 377.06064868145876
Energy: 376.8814780789543
Energy: 377.06064868145876
Energy: 376.3817906438062
Energy: 377.49776161835223
Energy: 373.728678866802
Energy: 377.49776161835223
Energy: 375.06121288669635
Energy: 377.80183688616586
Energy: 374.52180132322167
Energy: 377.80183688616586
Energy: 374.29573255550025
Energy: 377.49861570603497
Energy: 373.02351357886266
Energy: 377.49861570603497
Energy: 376.1025430276874
Energy: 377.24107109505024
Energy: 372.01716050337075
Energy: 377.24107109505024
Energy: 373.72249271795647
Energy: 377.8056198278382
Energy: 373.81005662223794
Energy: 377.8056198278382
Energy: 376.17515281561623
Energy: 377.29718055781126
Energy: 374.9727172806261
Energy: 377.29718055781126
Energy: 369.4207283620484
Energy: 377.1246274098292
Energy: 374.0269878339839
Energy: 377.1246274098292

minimum gb energy = 369.1393490599551 eV
minimum distance =  2.2837964638351 Angstroms
sigma value = 7


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

Energy: 529.094136837996
Energy: 529.7911471955947
Energy: 530.1569302575409
Energy: 529.7911471955939
Energy: 535.0454330438248
Energy: 533.6302365915981
Energy: 532.5725240878618
Energy: 533.6302365915981
Energy: 531.5201897066182
Energy: 533.3226049568211
Energy: 528.7830969166131
Energy: 533.3226049568211
Energy: 530.0050540373051
Energy: 534.1267438585675
Energy: 530.3938750140778
Energy: 534.1267438585675
Energy: 534.0755646090229
Energy: 533.4901277858365
Energy: 526.247748944959
Energy: 533.4901277858365
Energy: 534.7123151908864
Energy: 533.5387577511045
Energy: 526.5049381477459
Energy: 533.5387577511045
Energy: 528.9426807210075
Energy: 532.9667619382226
Energy: 534.7807792932799
Energy: 532.9667619382226
Energy: 529.0048683547009
Energy: 534.9632003067795
Energy: 534.3483849124556
Energy: 534.9632003067795
Energy: 533.615468677054
Energy: 535.1262622906792
Energy: 530.0274898394171
Energy: 535.12626229068
Energy: 532.092378088047
Energy: 535.4185613257757
Energy: 534.5184247267309
Energy: 535.4185613257757
Energy: 533.4130406367682
Energy: 531.1723388621647
Energy: 528.2924379956784
Energy: 531.172338862164
Energy: 534.132066685512
Energy: 534.3141822006884
Energy: 524.9054410472205
Energy: 534.3141822006876
Energy: 533.5514531248397
Energy: 531.0854005271989
Energy: 530.7040872929118
Energy: 531.0854005271989
Energy: 534.4641139008588
Energy: 535.3973634768298
Energy: 531.8926633532608
Energy: 535.3973634768298
Energy: 534.7957941133424
Energy: 535.3250678449523
Energy: 529.1456816112185
Energy: 535.3250678449515
Energy: 526.747042191246
Energy: 534.4712988536846
Energy: 534.1329524455294
Energy: 534.4712988536846
Energy: 525.7619326828477
Energy: 534.8819168196222
Energy: 533.5730343780514
Energy: 534.8819168196222
Energy: 534.1337278015362
Energy: 531.8156884840413
Energy: 527.1496681760084
Energy: 531.8156884840413
Energy: 533.6640038850348
Energy: 532.3785178751264
Energy: 533.89216772218
Energy: 532.3785178751264
Energy: 532.6554336238702
Energy: 534.5719531625471
Energy: 531.1164423115279
Energy: 534.5719531625471
Energy: 533.6728779934123
Energy: 534.7287603972997
Energy: 526.4097767351855
Energy: 534.7287603972997
Energy: 529.277647752847
Energy: 533.7151028429043
Energy: 533.8290492058344
Energy: 533.7151028429043
Energy: 528.6699372855347
Energy: 531.2272387371994
Energy: 534.3353211195562
Energy: 531.2272387371994
Energy: 530.3463178724161
Energy: 534.7199329409439
Energy: 532.8673200111468
Energy: 534.7199329409439
Energy: 531.954991375776
Energy: 535.433944286504
Energy: 533.9634219543814
Energy: 535.433944286504
Energy: 532.269510177822
Energy: 533.7843306460874
Energy: 534.6264831375045
Energy: 533.7843306460874
Energy: 529.8242771172272
Energy: 532.6328086895167
Energy: 525.0985051952375
Energy: 532.6328086895159
Energy: 532.5494617199732
Energy: 535.3612340968681
Energy: 533.1494930114891
Energy: 535.3612340968681
Energy: 534.841195827001
Energy: 535.4102935109865
Energy: 534.1949033583131
Energy: 535.4102935109865
Energy: 530.9522858124108
Energy: 535.1203872680873
Energy: 528.8487021032232
Energy: 535.120387268088
Energy: 528.1194114175146
Energy: 530.4060836729844
Energy: 530.9397375922457
Energy: 530.4060836729844

minimum gb energy = 524.9054410472205 eV
minimum distance =  2.2814603326098 Angstroms
sigma value = 29


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

Energy: 387.66491567847186
Energy: 398.0018336482853
Energy: 392.43057142203196
Energy: 398.00183364828473
Energy: 399.10894337646124
Energy: 398.09205730868564
Energy: 399.49597844227196
Energy: 398.0920573086854
Energy: 392.93054738291374
Energy: 399.99856237791835
Energy: 384.0945909784996
Energy: 399.99856237791835
Energy: 388.4978012824708
Energy: 397.1969876888107
Energy: 394.8102126408339
Energy: 397.19698768881045
Energy: 395.7164301743872
Energy: 396.91625958331986
Energy: 388.30489255270476
Energy: 396.91625958332065
Energy: 398.05364952177786
Energy: 392.83279596850355
Energy: 388.23218669464666
Energy: 392.8327959685041
Energy: 383.8646019074947
Energy: 400.8904886522264
Energy: 395.61517919660673
Energy: 400.8904886522266
Energy: 393.8045694557918
Energy: 395.33503166626804
Energy: 390.58967049421153
Energy: 395.33503166626775
Energy: 388.32252127618966
Energy: 401.4419240421354
Energy: 395.4481307374796
Energy: 401.4419240421354

minimum gb energy = 383.8646019074947 eV
minimum distance =  2.25232252010082 Angstroms
sigma value = 5


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

Energy: 555.0341255606482
Energy: 561.0702861706436
Energy: 564.8791414226943
Energy: 561.0702861706436
Energy: 564.0020004798397
Energy: 565.2179930393387
Energy: 565.4698098634718
Energy: 565.2179930393387
Energy: 563.3177076874357
Energy: 565.3156609126332
Energy: 565.3112068221815
Energy: 565.3156609126341
Energy: 560.1022091657395
Energy: 565.6231582375376
Energy: 565.9464777489414
Energy: 565.6231582375376
Energy: 564.5917285791637
Energy: 562.4001299715059
Energy: 556.8027255465641
Energy: 562.4001299715065
Energy: 562.9286672123674
Energy: 561.609209592716
Energy: 555.9813292022992
Energy: 561.6092095927166
Energy: 565.1059991698364
Energy: 561.1428745563486
Energy: 564.5645839399403
Energy: 561.1428745563486
Energy: 561.5024868106972
Energy: 565.3556899755414
Energy: 563.0207340640635
Energy: 565.3556899755414
Energy: 565.8712492786466
Energy: 565.3632526292539
Energy: 562.9902988894447
Energy: 565.3632526292547
Energy: 556.1587132947448
Energy: 561.3181571682762
Energy: 561.4946469376048
Energy: 561.3181571682762
Energy: 565.1405076973762
Energy: 564.71612668226
Energy: 564.3682699199231
Energy: 564.7161266822592
Energy: 557.5170701230223
Energy: 561.5549776530363
Energy: 561.4284068246127
Energy: 561.5549776530356
Energy: 558.089773159954
Energy: 564.7196969918612
Energy: 560.990646734985
Energy: 564.7196969918612
Energy: 563.7385011024417
Energy: 566.0292415795393
Energy: 559.7133948487785
Energy: 566.0292415795393
Energy: 562.7709716294147
Energy: 563.8865518517142
Energy: 558.3702692872504
Energy: 563.8865518517142
Energy: 564.1003063469302
Energy: 563.9290089182716
Energy: 564.1350623819303
Energy: 563.9290089182724
Energy: 565.0780769394269
Energy: 563.8468976629057
Energy: 557.1442262914413
Energy: 563.8468976629064
Energy: 565.485076381679
Energy: 561.2395269523988
Energy: 562.899335713965
Energy: 561.2395269523988
Energy: 561.3930129235167
Energy: 566.1648567375806
Energy: 561.6829240588556
Energy: 566.1648567375806
Energy: 561.8422091186902
Energy: 566.146526390656
Energy: 560.1554091008755
Energy: 566.146526390656
Energy: 556.8554161795457
Energy: 564.3835548688453
Energy: 564.3175765377799
Energy: 564.383554868846
Energy: 556.9838585932788
Energy: 562.2804294243658
Energy: 564.7050441839137
Energy: 562.2804294243666
Energy: 561.7064363505381
Energy: 562.9959209157245
Energy: 561.4711755157613
Energy: 562.9959209157237
Energy: 563.183672678134
Energy: 564.2947027120457
Energy: 564.8361892087523
Energy: 564.2947027120464
Energy: 563.7654219614525
Energy: 564.896862409897
Energy: 565.3505806545213
Energy: 564.896862409897
Energy: 564.8788308770985
Energy: 564.7153702106763
Energy: 556.1726155293918
Energy: 564.7153702106763
Energy: 564.597792730741
Energy: 562.1085118943296
Energy: 560.8794703652892
Energy: 562.1085118943296
Energy: 564.4505249812439
Energy: 563.1776518328321
Energy: 563.0769356015393
Energy: 563.1776518328321
Energy: 566.0044137227914
Energy: 561.8161729769191
Energy: 558.4136331722607
Energy: 561.8161729769184
Energy: 558.8045775621615
Energy: 560.8148067779854
Energy: 563.98195236002
Energy: 560.8148067779862
Energy: 558.7190667106795
Energy: 565.8102466983759
Energy: 565.0516754692047
Energy: 565.8102466983759
Energy: 564.870304618313
Energy: 563.9266878529149
Energy: 565.2474574924472
Energy: 563.9266878529149
Energy: 558.2354453680803
Energy: 565.2561593958444
Energy: 561.6450367436589
Energy: 565.2561593958429

minimum gb energy = 555.0341255606482 eV
minimum distance =  2.28037197134149 Angstroms
sigma value = 1


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

Energy: 401.35665503240097
Energy: 406.54570226828304
Energy: 411.41691112035926
Energy: 406.54570226828304
Energy: 411.4164799249911
Energy: 408.83440237872844
Energy: 410.9798239168617
Energy: 408.83440237872844
Energy: 411.85384574635464
Energy: 411.87740306592895
Energy: 409.07934676647585
Energy: 411.87740306592895
Energy: 405.2727063291636
Energy: 411.83382355706476
Energy: 410.53874519001647
Energy: 411.83382355706476
Energy: 411.55732314841003
Energy: 410.5926299420625
Energy: 403.58128907067186
Energy: 410.5926299420615
Energy: 407.1157486516309
Energy: 409.92833173386725
Energy: 405.1059108078981
Energy: 409.92833173386725
Energy: 407.1691190664857
Energy: 409.9803211943862
Energy: 412.2333684796734
Energy: 409.9803211943872
Energy: 409.67839810727736
Energy: 411.53954622941257
Energy: 405.0102853625254
Energy: 411.5395462294115
Energy: 409.92868699303517
Energy: 408.9556814201931
Energy: 406.7253541920493
Energy: 408.9556814201931
Energy: 403.17298370697745
Energy: 411.14355971194783
Energy: 410.40937077638307
Energy: 411.14355971194783
Energy: 410.1532825285264
Energy: 409.53856561199217
Energy: 407.115417095079
Energy: 409.53856561199217
Energy: 401.2491975244151
Energy: 409.2273237671347
Energy: 411.07453592771265
Energy: 409.2273237671347
Energy: 401.38305917829894
Energy: 406.4951970489405
Energy: 410.63676010692507
Energy: 406.49519704894146
Energy: 411.9274836713234
Energy: 409.53781797061646
Energy: 412.03359075104447
Energy: 409.5378179706154
Energy: 407.0317416970336
Energy: 407.54931969506237
Energy: 411.5774702071478
Energy: 407.54931969506237
Energy: 405.13509968520447
Energy: 411.86125628712193
Energy: 412.16331349517907
Energy: 411.861256287123
Energy: 411.46804961484355
Energy: 410.37295775324714
Energy: 402.97203415438145
Energy: 410.37295775324714
Energy: 407.32047698369865
Energy: 410.22737830537767
Energy: 403.1504196998905
Energy: 410.22737830537767
Energy: 410.16903543827857
Energy: 411.6387371874113
Energy: 404.7812572402635
Energy: 411.6387371874113
Energy: 411.1830960541023
Energy: 410.3988554820953
Energy: 408.8391344899731
Energy: 410.39885548209423
Energy: 404.4870683283642
Energy: 408.48375473559514
Energy: 411.12794555145604
Energy: 408.48375473559514
Energy: 403.2880594226916
Energy: 410.6931016844561
Energy: 409.74190534910537
Energy: 410.6931016844561
Energy: 410.30092050583266
Energy: 410.67332426448195
Energy: 411.1172580875664
Energy: 410.67332426448195
Energy: 402.5286383583542
Energy: 408.99160166219
Energy: 409.4010265327965
Energy: 408.99160166219

minimum gb energy = 401.2491975244151 eV
minimum distance =  2.27126519912782 Angstroms
sigma value = 17


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

Energy: 651.368750413739
Energy: 656.3885480443255
Energy: 660.8824613654423
Energy: 656.3885480443255
Energy: 660.7571213872319
Energy: 656.3140286512431
Energy: 656.597080570239
Energy: 656.3140286512426
Energy: 655.2814943639092
Energy: 656.285157753154
Energy: 659.5718243355583
Energy: 656.2851577531534
Energy: 655.4233056619373
Energy: 657.2230646550821
Energy: 658.2766959404486
Energy: 657.2230646550821
Energy: 660.2052224653567
Energy: 659.6444745057163
Energy: 652.016458338522
Energy: 659.6444745057163
Energy: 656.8137379882838
Energy: 658.4609824321439
Energy: 653.9090256887575
Energy: 658.4609824321439
Energy: 658.5794791621254
Energy: 659.3227595939394
Energy: 660.6243662100529
Energy: 659.3227595939394
Energy: 658.2017532294661
Energy: 659.5501945162218
Energy: 655.8670393156808
Energy: 659.5501945162231
Energy: 660.9813216525258
Energy: 660.4443653537645
Energy: 655.0759511982367
Energy: 660.4443653537645
Energy: 656.1026227432415
Energy: 659.12475530873
Energy: 658.3042561623296
Energy: 659.12475530873
Energy: 661.109943596379
Energy: 659.9013678840846
Energy: 656.7211174280584
Energy: 659.9013678840846
Energy: 651.8299255582573
Energy: 659.6403718217654
Energy: 660.067464663368
Energy: 659.6403718217662
Energy: 652.4999776091622
Energy: 659.7128697865813
Energy: 659.8697242025805
Energy: 659.7128697865813
Energy: 661.2144830236748
Energy: 656.4465745580204
Energy: 659.8706199224024
Energy: 656.4465745580204
Energy: 653.2995213237398
Energy: 659.0766096611071
Energy: 659.9751105189068
Energy: 659.0766096611071
Energy: 658.0110057776915
Energy: 659.2681483139027
Energy: 655.7974099722743
Energy: 659.2681483139047
Energy: 657.4636887220928
Energy: 660.0550269304964
Energy: 657.6030518452268
Energy: 660.0550269304964
Energy: 658.3318050849032
Energy: 656.4477795167351
Energy: 656.2587447653873
Energy: 656.4477795167344
Energy: 657.3046965152575
Energy: 656.5741093734941
Energy: 654.0471789009046
Energy: 656.5741093734941
Energy: 659.2030698243875
Energy: 658.5187882115054
Energy: 650.8412192780387
Energy: 658.518788211506
Energy: 656.4310516231776
Energy: 659.425972556563
Energy: 655.8201416400724
Energy: 659.4259725565638
Energy: 658.8506016261405
Energy: 656.2736486682045
Energy: 655.3539930353779
Energy: 656.2736486682045
Energy: 659.1944043320478
Energy: 660.0510746279962
Energy: 658.7875188687946
Energy: 660.051074627997
Energy: 652.5608185219131
Energy: 659.5494469675572
Energy: 660.2164272399422
Energy: 659.5494469675572
Energy: 656.7304121617022
Energy: 658.3439181542808
Energy: 659.1081348954102
Energy: 658.3439181542792
Energy: 656.1787446105549
Energy: 656.3023318645071
Energy: 658.2939573223746
Energy: 656.3023318645065
Energy: 654.2598772822083
Energy: 658.0955179755441
Energy: 659.8807353926753
Energy: 658.0955179755441
Energy: 659.0096185011796
Energy: 660.7198388066167
Energy: 657.4592726068503
Energy: 660.7198388066167
Energy: 660.2247270565676
Energy: 660.6511873704522
Energy: 654.3971301803107
Energy: 660.6511873704528
Energy: 655.8475074066512
Energy: 658.5008183115548
Energy: 659.6765517626135
Energy: 658.5008183115548
Energy: 660.3567790274639
Energy: 659.6138813298099
Energy: 653.7721240142768
Energy: 659.6138813298107
Energy: 656.8296647590432
Energy: 658.5074553113611
Energy: 653.0569585820507
Energy: 658.5074553113643
Energy: 659.1782879399324
Energy: 656.5788697861757
Energy: 660.4219211890098
Energy: 656.5788697861761
Energy: 659.4069829035847
Energy: 656.4838690760346
Energy: 653.0004986511591
Energy: 656.4838690760346
Energy: 657.2973573294172
Energy: 660.7844765215964
Energy: 655.166403106169
Energy: 660.7844765215964
Energy: 656.1082487345494
Energy: 660.9472520165209
Energy: 659.8911995515111
Energy: 660.9472520165209
Energy: 658.3882303707657
Energy: 659.4218719143237
Energy: 659.9906534051454
Energy: 659.4218719143237
Energy: 652.9620529269866
Energy: 659.3043790240989
Energy: 658.2384509304259
Energy: 659.3043790240984

minimum gb energy = 650.8412192780387 eV
minimum distance =  2.28425062858281 Angstroms
sigma value = 89


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

Energy: 381.2258636255533
Energy: 383.5230232206544
Energy: 383.8096719008544
Energy: 383.5230232206544
Energy: 382.6365863287271
Energy: 381.48365951586163
Energy: 378.9481707646923
Energy: 381.48365951586163
Energy: 376.2887355529696
Energy: 382.80035513226323
Energy: 384.47281311339077
Energy: 382.80035513226323
Energy: 376.7762441766748
Energy: 383.6170991455071
Energy: 383.95860194855726
Energy: 383.6170991455071
Energy: 381.5520468375187
Energy: 383.8085125780496
Energy: 373.02686035266447
Energy: 383.8085125780496
Energy: 382.81126557951904
Energy: 383.3588840656557
Energy: 372.9072779214953
Energy: 383.3588840656557
Energy: 379.1151522788543
Energy: 382.4917453970252
Energy: 380.2701463720448
Energy: 382.4917453970252
Energy: 383.46363671409284
Energy: 382.8072436808485
Energy: 377.85655237833106
Energy: 382.8072436808485
Energy: 384.4069833854349
Energy: 381.42514280224236
Energy: 377.8105215844945
Energy: 381.42514280224236
Energy: 378.704101083744
Energy: 378.9310686734739
Energy: 384.61180919632864
Energy: 378.9310686734739
Energy: 384.9632314525622
Energy: 382.99760516823267
Energy: 376.03469291715004
Energy: 382.99760516823267
Energy: 373.0325964667021
Energy: 381.3696354375806
Energy: 383.7406042692423
Energy: 381.3696354375806
Energy: 373.1519145975029
Energy: 378.88621605213575
Energy: 382.5732098397085
Energy: 378.88621605213405
Energy: 381.85906428743317
Energy: 383.55419781183656
Energy: 383.38168582979637
Energy: 383.55419781183656
Energy: 380.57522399879775
Energy: 378.87473545698623
Energy: 383.6025833878976
Energy: 378.8747354572991

minimum gb energy = 372.9072779214953 eV
minimum distance =  2.29476845522615 Angstroms
sigma value = 13


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

Energy: 592.6363331303226
Energy: 602.440023541843
Energy: 599.1456265014913
Energy: 602.4400235418436
Energy: 600.772768368595
Energy: 601.719787032248
Energy: 602.0035271205285
Energy: 601.719787032248
Energy: 600.0793104616848
Energy: 601.397256576027
Energy: 599.2080174451132
Energy: 601.3972565760276
Energy: 595.6297057317406
Energy: 598.9385667654303
Energy: 601.9566104264322
Energy: 598.9385667654291
Energy: 601.7917423952058
Energy: 600.4563321675598
Energy: 596.3294534582385
Energy: 600.4563321675598
Energy: 602.1489614001242
Energy: 601.9867222332631
Energy: 596.3073320906734
Energy: 601.9867222332623
Energy: 601.7140452058709
Energy: 598.4351162174778
Energy: 599.9167668679218
Energy: 598.4351162174778
Energy: 602.5487448269516
Energy: 598.9777771153558
Energy: 593.7869780284137
Energy: 598.9777771153565
Energy: 599.4338992847913
Energy: 599.2370506607997
Energy: 599.499826530321
Energy: 599.2370506608004
Energy: 601.2776307395313
Energy: 600.6962657219566
Energy: 602.809332218821
Energy: 600.6962657219566
Energy: 599.2171458360075
Energy: 602.003258232834
Energy: 595.1038547184943
Energy: 602.0032582328334
Energy: 601.2158854509304
Energy: 602.1105786404898
Energy: 603.7705389093632
Energy: 602.1105786404898
Energy: 602.8724760735209
Energy: 598.6010423602726
Energy: 602.421938810348
Energy: 598.6010423602718
Energy: 601.8461411368231
Energy: 601.9323314270669
Energy: 598.6532723347976
Energy: 601.9323314270674
Energy: 599.3089010780407
Energy: 599.2876466419739
Energy: 602.0255463427536
Energy: 599.2876466419739
Energy: 599.3368054278875
Energy: 600.2711560893061
Energy: 601.0339520546266
Energy: 600.2711560893061
Energy: 604.2800802933252
Energy: 599.4022956977971
Energy: 599.5029229188935
Energy: 599.4022956977984
Energy: 593.0050425304547
Energy: 602.616293226459
Energy: 599.2352659920713
Energy: 602.616293226459
Energy: 597.8862531898882
Energy: 599.2716672213737
Energy: 600.5850837977458
Energy: 599.2716672213745
Energy: 598.0624467205305
Energy: 601.4855737579568
Energy: 598.9102774707867
Energy: 601.4855737579568
Energy: 595.4959615287625
Energy: 601.4443012629783
Energy: 602.1449012569675
Energy: 601.4443012629775
Energy: 602.0488511056818
Energy: 602.8655361518439
Energy: 596.3253091158997
Energy: 602.8655361518439
Energy: 601.8899179667769
Energy: 599.1517257611454
Energy: 596.2939996972237
Energy: 599.1517257611446
Energy: 598.1574880076402
Energy: 601.3339024341351
Energy: 602.7775651678041
Energy: 601.3339024341359
Energy: 599.0834077308763
Energy: 599.5174061480309
Energy: 595.3664230134548
Energy: 599.5174061480294
Energy: 599.4267637396468
Energy: 599.1469406847216
Energy: 593.7352245634312
Energy: 599.1469406847224
Energy: 601.8623188624596
Energy: 601.2621685454515
Energy: 603.1996415005542
Energy: 601.2621685454515
Energy: 600.2524079995851
Energy: 599.3995915553811
Energy: 594.8715882695668
Energy: 599.3995915553803
Energy: 600.9291457766008
Energy: 598.6944292061127
Energy: 599.4285031132893
Energy: 598.6944292061141
Energy: 596.7888544275024
Energy: 599.5405966918574
Energy: 602.4264929666563
Energy: 599.5405966918582
Energy: 599.4146132380325
Energy: 601.538482970313
Energy: 597.7357971204658
Energy: 601.5384829703108
Energy: 599.1498161786934
Energy: 599.346962246058
Energy: 603.133514410399
Energy: 599.3469622460572
Energy: 599.6431697780537
Energy: 602.2523941463634
Energy: 599.372935236683
Energy: 602.2523941463634
Energy: 604.5634662531845
Energy: 599.249156618088
Energy: 602.1213963285007
Energy: 599.2491566180902
Energy: 595.0405555198292
Energy: 601.7432402832668
Energy: 599.4377703366299
Energy: 601.7432402832668

minimum gb energy = 592.6363331303226 eV
minimum distance =  2.30272704107614 Angstroms
sigma value = 37


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

Energy: 343.10850501914376
Energy: 353.3245875883154
Energy: 351.94194419333763
Energy: 353.3245875883154
Energy: 349.63599731328304
Energy: 354.01514436652826
Energy: 349.7780612173674
Energy: 354.01514436652826
Energy: 347.4152567063519
Energy: 352.5223755915882
Energy: 349.8410079070305
Energy: 352.5223755915882
Energy: 350.49468139659984
Energy: 355.3822504918692
Energy: 354.3586399872434
Energy: 355.3822504918692
Energy: 354.2639512926556
Energy: 354.3786410093405
Energy: 345.5147957412248
Energy: 354.3786410093405
Energy: 353.2527476975958
Energy: 353.0753945195854
Energy: 353.0008998035843
Energy: 353.0753945195854
Energy: 347.83680935931386
Energy: 353.341008351808
Energy: 354.3590625594703
Energy: 353.341008351808
Energy: 353.70541021516874
Energy: 352.0128278070398
Energy: 347.09118965790077
Energy: 352.0128278070398
Energy: 353.2100677295049
Energy: 351.19370361297905
Energy: 347.6922493660825
Energy: 351.19370361297905
Energy: 349.9164458926293
Energy: 349.88050896322136
Energy: 355.4435428237846
Energy: 349.8805089632263
Energy: 351.94194419333763
Energy: 353.3245875883154
Energy: 343.10850501914376
Energy: 353.32458758831666
Energy: 349.7780612173674
Energy: 354.01514436652826
Energy: 349.6359973132745
Energy: 354.01514436652826
Energy: 349.8410079070318
Energy: 352.5223755915882
Energy: 347.4152567063519
Energy: 352.5223755915882
Energy: 354.3586399872446
Energy: 355.3822504918692
Energy: 350.49468139659984
Energy: 355.3822504918692
Energy: 345.514795741226
Energy: 354.3786410093405
Energy: 354.2639512926556
Energy: 354.3786410093405
Energy: 353.0008998035843
Energy: 353.0753945195854
Energy: 353.2527476975958
Energy: 353.0753945195854
Energy: 354.35906255947157
Energy: 353.341008351808
Energy: 347.83680935932125
Energy: 353.341008351808
Energy: 347.091189657902
Energy: 352.0128278070398
Energy: 353.70541021516874
Energy: 352.0128278070398
Energy: 347.6922493660825
Energy: 351.19370361297786
Energy: 353.2100677295049
Energy: 351.19370361297905
Energy: 355.44354282378583
Energy: 349.88050896322136
Energy: 349.9164458926293
Energy: 349.88050896322136

minimum gb energy = 343.10850501914376 eV
minimum distance =  2.32027613143192 Angstroms
sigma value = 25


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

Energy: 442.4281112707558
Energy: 446.6464515154708
Energy: 447.2535897351526
Energy: 446.6464515154708
Energy: 452.18262240445426
Energy: 446.94678351363746
Energy: 450.43606706651104
Energy: 446.94678351363643
Energy: 448.98424378401495
Energy: 446.49790626786944
Energy: 446.8706856701215
Energy: 446.49790626786944
Energy: 441.70024478306516
Energy: 449.8805946165458
Energy: 449.5157263027346
Energy: 449.8805946165448
Energy: 451.87696450970077
Energy: 449.4724262518574
Energy: 446.60906553504043
Energy: 449.4724262518574
Energy: 444.9958829228341
Energy: 446.12602758791473
Energy: 451.026781131803
Energy: 446.12602758791377
Energy: 444.9478510202554
Energy: 447.6113410317066
Energy: 452.07502770370274
Energy: 447.6113410317066
Energy: 451.2654537008199
Energy: 448.6970666016277
Energy: 444.07009117807223
Energy: 448.6970666016277
Energy: 449.93165398678445
Energy: 449.29555306266457
Energy: 452.3312485873704
Energy: 449.2955530626636
Energy: 447.2046756725545
Energy: 448.18981047566973
Energy: 450.3395550850408
Energy: 448.18981047566973
Energy: 450.9388040392305
Energy: 447.9425401099224
Energy: 439.8671315474452
Energy: 447.9425401099224
Energy: 447.5800465404615
Energy: 449.02026777032904
Energy: 450.9071088215212
Energy: 449.02026777032904
Energy: 447.2302460096265
Energy: 449.32627809571505
Energy: 449.97514235894647
Energy: 449.32627809571505
Energy: 447.88806784361736
Energy: 447.3867831033266
Energy: 441.7458453770222
Energy: 447.3867831033266
Energy: 446.9321165608856
Energy: 450.3130435081757
Energy: 446.0319668255217
Energy: 450.3130435081757
Energy: 446.9921649814819
Energy: 449.6486075878139
Energy: 444.266965228686
Energy: 449.6486075878139
Energy: 446.3825817827175
Energy: 448.8476681718747
Energy: 444.4816523046473
Energy: 448.8476681718747
Energy: 443.5063281731595
Energy: 448.99318749462725
Energy: 448.0180545522941
Energy: 448.99318749462725
Energy: 450.3915947770483
Energy: 450.4985087854486
Energy: 448.01111779553537
Energy: 450.4985087854486
Energy: 450.46489598924387
Energy: 448.3897960774299
Energy: 447.02695727351215
Energy: 448.3897960774299
Energy: 443.3544939194118
Energy: 445.6037688959222
Energy: 451.26199290929765
Energy: 445.60376889591646
Energy: 451.1792656678121
Energy: 446.4412458893227
Energy: 445.4163079129881
Energy: 446.44124588932374
Energy: 446.2541204672389
Energy: 449.46729233155514
Energy: 449.948349433201
Energy: 449.46729233155605
Energy: 439.87502099565654
Energy: 448.3512007423625
Energy: 449.8268569261623
Energy: 448.3512007423614
Energy: 453.14852736108236
Energy: 449.44047852719666
Energy: 447.1535854826623
Energy: 449.44047852719666
Energy: 441.48078267238304
Energy: 449.31175287476134
Energy: 449.1598542544852
Energy: 449.3117528747623

minimum gb energy = 439.8671315474452 eV
minimum distance =  2.30686334941597 Angstroms
sigma value = 41


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

Energy: 542.0735446086053
Energy: 547.7675973436501
Energy: 544.7218751000704
Energy: 547.7675973436509
Energy: 550.7235003275639
Energy: 545.8800027321478
Energy: 544.67651275501
Energy: 545.8800027321485
Energy: 547.5580873806201
Energy: 546.5941036196521
Energy: 544.4524194834787
Energy: 546.5941036196521
Energy: 540.1624416668056
Energy: 546.8043661349067
Energy: 546.6759626816591
Energy: 546.8043661349067
Energy: 549.7022185115154
Energy: 543.6909622364985
Energy: 543.4373011281075
Energy: 543.6909622364979
Energy: 542.3866268009599
Energy: 546.4179740241117
Energy: 544.005441193824
Energy: 546.4179740241117
Energy: 546.2913646022685
Energy: 546.5009972678693
Energy: 549.4233181832703
Energy: 546.5009972678693
Energy: 549.1126362500777
Energy: 545.6607522320093
Energy: 541.6279491106171
Energy: 545.6607522320093
Energy: 542.9676532217263
Energy: 547.0862491982538
Energy: 549.0210504432947
Energy: 547.0862491982531
Energy: 542.8463843156147
Energy: 544.005197472585
Energy: 548.503374576797
Energy: 544.0051974725874
Energy: 548.227803303603
Energy: 546.0301742930855
Energy: 545.0050877348591
Energy: 546.0301742930862
Energy: 544.420333549843
Energy: 547.015547835128
Energy: 549.5891024823347
Energy: 547.0155478351288
Energy: 544.3510874609259
Energy: 544.4196283013722
Energy: 545.3565980423333
Energy: 544.419628301373
Energy: 544.9810224952138
Energy: 544.7661376839364
Energy: 538.894229233426
Energy: 544.7661376839349
Energy: 546.800097463262
Energy: 544.567713711983
Energy: 547.5198462346713
Energy: 544.567713711979
Energy: 546.495609643221
Energy: 544.5646809049983
Energy: 539.8171545059174
Energy: 544.5646809049763
Energy: 544.5682337097107
Energy: 544.5366256404396
Energy: 542.4518716638992
Energy: 544.5366256404404
Energy: 547.4323428704691
Energy: 544.0936228850206
Energy: 549.6461509589017
Energy: 544.0936228850206
Energy: 544.4522075364135
Energy: 546.865821027484
Energy: 539.9678393971546
Energy: 546.865821027484
Energy: 543.9549289496897
Energy: 546.9406701510757
Energy: 539.8896176647859
Energy: 546.9406701510757
Energy: 543.9210632101693
Energy: 544.2943479667999
Energy: 546.9693991561371
Energy: 544.2943479667999
Energy: 546.9444193356794
Energy: 543.4783940428057
Energy: 542.6893502128473
Energy: 543.4783940428057
Energy: 543.5960325489028
Energy: 543.6222090695256
Energy: 542.4195845517008
Energy: 543.6222090695264
Energy: 541.7424835200779
Energy: 543.7059347596814
Energy: 548.1250015748612
Energy: 543.7059347596814
Energy: 549.6431400604721
Energy: 543.674747655932
Energy: 545.6088502278837
Energy: 543.6747476559328
Energy: 541.041079549594
Energy: 547.1238281106238
Energy: 546.341408885829
Energy: 547.1238281106238
Energy: 543.8308084783503
Energy: 544.1019070797507
Energy: 544.5823520207517
Energy: 544.1019070797507
Energy: 550.1792713071546
Energy: 547.237610147852
Energy: 547.3677823120222
Energy: 547.2376101478512
Energy: 538.7718052126413
Energy: 546.7920341144287
Energy: 547.4364160207766
Energy: 546.7920341144294
Energy: 538.5607320418621
Energy: 544.5644045642653
Energy: 544.7968893223521
Energy: 544.5644045642629
Energy: 546.951836172435
Energy: 546.5314277739349
Energy: 544.5924058552664
Energy: 546.5314277739349
Energy: 539.4274638688247
Energy: 544.3645141834486
Energy: 546.3536559400704
Energy: 544.3645141834495

minimum gb energy = 538.5607320418621 eV
minimum distance =  2.3037667709935 Angstroms
sigma value = 15


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

Energy: 635.5634682053839
Energy: 644.7600553051835
Energy: 642.2429722473743
Energy: 644.7600553051855
Energy: 645.6592325720203
Energy: 642.4986097589169
Energy: 642.1157294763519
Energy: 642.4986097589169
Energy: 644.0896933254688
Energy: 644.3197479774934
Energy: 642.1903976258312
Energy: 644.3197479774927
Energy: 638.1242802110464
Energy: 644.493327942925
Energy: 643.1272945990784
Energy: 644.493327942925
Energy: 647.2788900399465
Energy: 641.3624267446968
Energy: 641.6997530211952
Energy: 641.3624267446961
Energy: 644.2354243777908
Energy: 644.0987901050195
Energy: 641.5435012540867
Energy: 644.0987901050189
Energy: 638.3848064569432
Energy: 641.2654638759508
Energy: 641.2252284564906
Energy: 641.2654638759523
Energy: 642.7944891362876
Energy: 643.9566270019114
Energy: 639.2750473726267
Energy: 643.9566270019114
Energy: 640.3328929102938
Energy: 642.795428008908
Energy: 643.3290700262068
Energy: 642.795428008908
Energy: 640.4299246562014
Energy: 641.3613986549118
Energy: 641.053035992332
Energy: 641.3613986549124
Energy: 642.3235468526132
Energy: 644.5916607229966
Energy: 642.3728691206301
Energy: 644.5916607229966
Energy: 640.5889782125888
Energy: 641.7848647416039
Energy: 646.2490131927127
Energy: 641.784864741602
Energy: 643.2352318097154
Energy: 643.821780574787
Energy: 642.9948978391694
Energy: 643.821780574787
Energy: 642.2335870741052
Energy: 643.6583980093385
Energy: 637.2418491156736
Energy: 643.6583980093393
Energy: 644.5276739239097
Energy: 644.1091141503094
Energy: 644.9897176636943
Energy: 644.1091141503094
Energy: 642.2902633710333
Energy: 642.8356914039628
Energy: 637.2065647943241
Energy: 642.8356914039628
Energy: 642.6436202745072
Energy: 642.41081148539
Energy: 637.0444127439935
Energy: 642.4108114853892
Energy: 642.2994735477495
Energy: 642.2358217856312
Energy: 641.2797656602833
Energy: 642.2358217856317
Energy: 642.5386184128995
Energy: 642.4324047903627
Energy: 635.9259053350211
Energy: 642.4324047903627
Energy: 643.4760754161714
Energy: 644.3228350801872
Energy: 637.811990493091
Energy: 644.3228350801879
Energy: 644.6588493094814
Energy: 642.7666705036816
Energy: 645.8566104503543
Energy: 642.7666705036822
Energy: 642.3831975011659
Energy: 644.668548064325
Energy: 638.1400726909138
Energy: 644.668548064325
Energy: 641.5020942812791
Energy: 643.1080499338972
Energy: 637.876516622286
Energy: 643.108049933896
Energy: 641.716368467803
Energy: 644.5935115456913
Energy: 645.5328184113679
Energy: 644.5935115456913
Energy: 642.1496952096484
Energy: 643.7272025719402
Energy: 639.3398770629931
Energy: 643.7272025719388
Energy: 645.5809032531039
Energy: 641.3655499284635
Energy: 643.5827087578817
Energy: 641.3655499284635
Energy: 639.4531094517795
Energy: 642.5646243539443
Energy: 646.5341849659911
Energy: 642.5646243539435
Energy: 646.4738976820303
Energy: 643.7785451775369
Energy: 640.3150469173394
Energy: 643.7785451775363
Energy: 638.8936925060851
Energy: 644.7321099817057
Energy: 645.7264736967791
Energy: 644.7321099817044
Energy: 640.880254768631
Energy: 644.8842323926925
Energy: 641.5899720159388
Energy: 644.8842323926925
Energy: 646.8776377137937
Energy: 642.9495972158132
Energy: 640.7995676800383
Energy: 642.9495972158132
Energy: 637.2914776709533
Energy: 642.191674254109
Energy: 642.0799199895866
Energy: 642.1916742541083
Energy: 638.7697270373403
Energy: 642.1622648385212
Energy: 643.3247881530548
Energy: 642.1622648385212
Energy: 648.3313622601855
Energy: 643.8747907945169
Energy: 643.0897619182124
Energy: 643.8747907945182
Energy: 639.6613810108863
Energy: 642.4673787752824
Energy: 644.6790434837227
Energy: 642.4673787752824
Energy: 643.7930914519133
Energy: 642.870112324989
Energy: 643.1399936036855
Energy: 642.8701123249896
Energy: 638.327113292885
Energy: 644.2494523608552
Energy: 642.3569205926963
Energy: 644.2494523608547

minimum gb energy = 635.5634682053839 eV
minimum distance =  2.32999981539962 Angstroms
sigma value = 85


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

Energy: 365.1066172210124
Energy: 370.2358382347121
Energy: 371.3491764938657
Energy: 370.2358382347121
Energy: 376.89236458784023
Energy: 370.3564230068726
Energy: 372.0757498318168
Energy: 370.3564230068726
Energy: 369.9871916159999
Energy: 370.5347451814012
Energy: 370.9174749471112
Energy: 370.5347451814012
Energy: 365.4614547925909
Energy: 370.8684286091624
Energy: 373.6728831321194
Energy: 370.86842860916187
Energy: 373.2816387273552
Energy: 373.0655707220494
Energy: 370.4126238420637
Energy: 373.0655707220494
Energy: 369.2341794005928
Energy: 372.47228890715076
Energy: 370.58426859137097
Energy: 372.47228890715076
Energy: 367.3488136604103
Energy: 371.28137307818025
Energy: 371.61924035002687
Energy: 371.28137307818025
Energy: 375.8624537739454
Energy: 372.1084732357962
Energy: 370.14144450418524
Energy: 372.1084732357962
Energy: 373.19746795400937
Energy: 371.897516011639
Energy: 374.49549879854527
Energy: 371.8975160116384
Energy: 372.8834293553513
Energy: 372.33772035020974
Energy: 375.18734351930954
Energy: 372.33772035020974
Energy: 370.4126199717326
Energy: 371.5328043368873
Energy: 370.4437060690284
Energy: 371.5328043368873
Energy: 369.2587763620749
Energy: 373.06680907039544
Energy: 372.88663901156093
Energy: 373.06680907039544
Energy: 374.4693323003442
Energy: 370.82048922906654
Energy: 370.5569594333293
Energy: 370.82048922906597
Energy: 371.84282175393105
Energy: 372.880694994252
Energy: 366.3753681424676
Energy: 372.880694994252
Energy: 369.37252465295785
Energy: 372.2917100122807
Energy: 371.0910531279012
Energy: 372.2917100122807
Energy: 373.520555597025
Energy: 372.80454923922474
Energy: 367.29859259708576
Energy: 372.80454923922474
Energy: 371.01677251132134
Energy: 372.1370244151406
Energy: 367.8265933785149
Energy: 372.1370244151406
Energy: 370.48809154597564
Energy: 370.7134157663286
Energy: 369.721778631177
Energy: 370.71341576632744
Energy: 372.36079553925566
Energy: 371.4435697749093
Energy: 368.0770158770182
Energy: 371.4435697749087
Energy: 371.53007286297026
Energy: 371.1335310932753
Energy: 366.96815461176175
Energy: 371.1335310932764
Energy: 372.0067061462439
Energy: 370.88213110542125
Energy: 376.85028072035675
Energy: 370.88213110542125
Energy: 371.32152144295577
Energy: 371.54963808482705
Energy: 365.4765973720227
Energy: 371.54963808482705
Energy: 372.1187163258256
Energy: 370.9347586309641
Energy: 370.9897113183716
Energy: 370.93475863096467
Energy: 370.5162881025443
Energy: 370.4762041535476
Energy: 376.3331296437366
Energy: 370.47620415354817
Energy: 371.20957375504594
Energy: 375.2680784927082
Energy: 365.11128416590094
Energy: 375.2680784927082
Energy: 370.3484209321879
Energy: 373.0547387336938
Energy: 373.49058879561113
Energy: 373.0547387336938
Energy: 370.3820218163284
Energy: 371.7636013912713
Energy: 373.00316661974415
Energy: 371.7636013912719
Energy: 374.64097069315665
Energy: 372.6259088259159
Energy: 367.3573037450949
Energy: 372.62590882591473
Energy: 373.43647764473695
Energy: 371.92167318811937
Energy: 375.95849291249976
Energy: 371.92167318811937
Energy: 370.1640291525879
Energy: 371.91925232099294
Energy: 369.04394351035415
Energy: 371.91925232099294
Energy: 369.98534616793677
Energy: 374.88922593726153
Energy: 367.4981406550786
Energy: 374.88922593726153
Energy: 370.73203616357165
Energy: 370.2084732486558
Energy: 375.2728228799122
Energy: 370.20847324865645
Energy: 374.14837296551536
Energy: 370.2728992062797
Energy: 369.3338781172679
Energy: 370.2728992062797
Energy: 373.67287161103684
Energy: 370.099108219302
Energy: 369.3494602965565
Energy: 370.099108219302
Energy: 366.3118521709875
Energy: 373.1482381707448
Energy: 370.68901460772634
Energy: 373.14823817074534
Energy: 369.7182536434527
Energy: 373.02557430474616
Energy: 370.36879833551177
Energy: 373.02557430474616
Energy: 370.2475135865175
Energy: 370.36498688392146
Energy: 370.3571008132385
Energy: 370.364986883922
Energy: 367.53138401446927
Energy: 370.994555165617
Energy: 371.3374114991742
Energy: 370.99455516561994
Energy: 372.4747120783133
Energy: 372.6211604640477
Energy: 370.65661958843054
Energy: 372.62116046404714
Energy: 368.76262904224575
Energy: 372.53467585792896
Energy: 372.0409854262832
Energy: 372.53467585792896
Energy: 364.5942197209721
Energy: 371.57775550278313
Energy: 372.27961008394857
Energy: 371.57775550278313
Energy: 376.86613685979324
Energy: 372.6173091573674
Energy: 370.7815658259431
Energy: 372.6173091573674
Energy: 365.270912168929
Energy: 371.5220610572848
Energy: 371.0425802323361
Energy: 371.5220610572853

minimum gb energy = 364.5942197209721 eV
minimum distance =  2.30265504327187 Angstroms
sigma value = 113


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

Energy: 392.8935712492481
Energy: 400.07258932849516
Energy: 413.28251875824134
Energy: 400.0715501575463
Energy: 412.90076940020646
Energy: 409.26753606694245
Energy: 410.8757547817481
Energy: 409.26753606694206
Energy: 393.85562636777456
Energy: 405.6211101574728
Energy: 413.7476275814272
Energy: 405.6211101574728
Energy: 392.86546470426646
Energy: 407.7921960381519
Energy: 412.9120642880285
Energy: 407.7921960381519
Energy: 413.170243593835
Energy: 405.82129981920497
Energy: 413.2769248786671
Energy: 405.82129981920497
Energy: 393.9585999113905
Energy: 410.4734547994135
Energy: 411.7462214294112
Energy: 410.4734547994131

minimum gb energy = 392.86546470426646 eV
minimum distance =  2.27679593865061 Angstroms
sigma value = 1