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
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 347.2622606875921
Energy: 349.1484928333446
Energy: 369.07738807707744
Energy: 349.1484928333446
Energy: 349.1484928333446
Energy: 349.5114251168027
Energy: 349.1484928333446
Energy: 349.5114251168027
Energy: 369.0773880770352
Energy: 349.1484928333446
Energy: 347.2622606875921
Energy: 349.1484928333446
Energy: 349.1484928333446
Energy: 349.5114251168027
Energy: 349.1484928333446
Energy: 349.5114251168027

minimum gb energy = 347.2622606875921 eV
minimum distance =  2.38999167549118 Angstroms
sigma value = 1


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

Energy: 548.7837296248231
Energy: 551.5584011196048
Energy: 563.0342519624917
Energy: 551.558401119604
Energy: 551.8213206978527
Energy: 552.8335674399974
Energy: 551.9133434633867
Energy: 552.8335674399966
Energy: 556.7587542773454
Energy: 554.0407834050407
Energy: 551.9806750523234
Energy: 554.0407834050415
Energy: 554.911241708044
Energy: 549.9247459769322
Energy: 552.0654149959813
Energy: 549.9247459769322
Energy: 555.0228954184147
Energy: 551.2110468816007
Energy: 553.3536152309707
Energy: 551.2110468816007
Energy: 552.1833928408032
Energy: 552.7872152359843
Energy: 554.9225434308569
Energy: 552.7872152359843
Energy: 551.7912770488972
Energy: 554.2997018745922
Energy: 551.962897677476
Energy: 554.2997018745915
Energy: 554.6706922124846
Energy: 551.4931870992114
Energy: 557.7086425872063
Energy: 551.4931870992114
Energy: 552.0271681522179
Energy: 551.8639292946209
Energy: 553.9774681496938
Energy: 551.8639292946217
Energy: 554.9895038811327
Energy: 553.8468366134744
Energy: 557.4791624291774
Energy: 553.8468366134744
Energy: 553.9932353271789
Energy: 553.239728689253
Energy: 552.1203220756337
Energy: 553.2397286892545
Energy: 557.7182235499134
Energy: 551.270173397618
Energy: 552.2341534094106
Energy: 551.270173397618
Energy: 551.8910604624018
Energy: 554.2604171321707
Energy: 551.8862065627188
Energy: 554.2604171321699
Energy: 552.0257719047592
Energy: 552.7118962786672
Energy: 553.5019910734163
Energy: 552.7118962786672
Energy: 553.9575179347886
Energy: 551.2994798081758
Energy: 552.0923883713363
Energy: 551.2994798081766
Energy: 554.8860458023917
Energy: 551.2960924381833
Energy: 552.0718911773996
Energy: 551.2960924381833
Energy: 552.2190035489236
Energy: 554.1283232662577
Energy: 555.4340013160905
Energy: 554.1283232662577
Energy: 551.9193939773695
Energy: 554.272156357731
Energy: 551.6578327259706
Energy: 554.272156357731
Energy: 559.5386104628265
Energy: 551.2909916153028
Energy: 551.642546097017
Energy: 551.2909916153021
Energy: 551.7026714613645
Energy: 552.0298717424316
Energy: 552.0435799288623
Energy: 552.0298717424324
Energy: 555.0970941385024
Energy: 554.0506162169776
Energy: 557.5191323537416
Energy: 554.0506162169776
Energy: 552.0343252794121
Energy: 549.8671834359925
Energy: 554.5084282595366
Energy: 549.8671834359925
Energy: 553.3092774943843
Energy: 551.2730718039421
Energy: 554.9590208567397
Energy: 551.2730718039421
Energy: 554.8988636349984
Energy: 554.1446667047211
Energy: 551.9730266662846
Energy: 554.1446667047211
Energy: 552.1903481411355
Energy: 552.7977708083595
Energy: 552.0242826435157
Energy: 552.7977708083595
Energy: 554.7680431617313
Energy: 551.1499417649201
Energy: 554.590963673802
Energy: 551.1499417649201
Energy: 554.1987937446211
Energy: 552.7285633048436
Energy: 552.038902760599
Energy: 552.7285633048436
Energy: 557.5147246350601
Energy: 554.0360049534166
Energy: 552.0517475318331
Energy: 554.0360049534158
Energy: 551.7198995680061
Energy: 552.8647314333753
Energy: 553.2684095246484
Energy: 552.864731433376
Energy: 548.9351789939041
Energy: 551.3025721611873
Energy: 557.6645528074789
Energy: 551.3025721611873
Energy: 551.7638068551364
Energy: 552.9111945971763
Energy: 551.9000771605737
Energy: 552.9111945971763
Energy: 554.6619686187893
Energy: 553.9933508925376
Energy: 552.0186691516969
Energy: 553.9933508925376
Energy: 554.9402711878575
Energy: 549.8685443045952
Energy: 552.0415533657906
Energy: 549.8685443045958

minimum gb energy = 548.7837296248231 eV
minimum distance =  2.29801631238653 Angstroms
sigma value = 1


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

Energy: 482.45789848969883
Energy: 481.13270609428696
Energy: 492.9068734749349
Energy: 481.13270609428696
Energy: 485.1896355088306
Energy: 482.9753837276724
Energy: 485.06397475478167
Energy: 482.9753837276732
Energy: 488.20288555172607
Energy: 481.1284820221529
Energy: 485.210547131564
Energy: 481.1284820221529
Energy: 485.1877543273246
Energy: 483.0684675397843
Energy: 484.5568424265134
Energy: 483.0684675397835
Energy: 485.4806277073036
Energy: 484.4815990722287
Energy: 487.45395807302464
Energy: 484.4815990722277
Energy: 485.0341523922615
Energy: 484.44980786714666
Energy: 487.43224760914393
Energy: 484.44980786714666
Energy: 484.5637486840057
Energy: 483.09934488839133
Energy: 483.5279624684553
Energy: 483.09934488839224
Energy: 488.1951642762874
Energy: 481.0816341433387
Energy: 486.6723481643582
Energy: 481.08163414333785
Energy: 485.4325754005034
Energy: 481.84352819274994
Energy: 484.83543566617885
Energy: 481.84352819274915
Energy: 484.86247108545894
Energy: 481.2701129508054
Energy: 490.84450300496655
Energy: 481.2701129508045
Energy: 485.07548235424053
Energy: 484.7928772591933
Energy: 485.06131438895454
Energy: 484.7928772591933
Energy: 486.6068993108479
Energy: 482.71219504198694
Energy: 485.18935614677343
Energy: 482.71219504198694
Energy: 481.7457460606678
Energy: 484.5973506566195
Energy: 487.3459802180688
Energy: 484.5973506566195
Energy: 482.0210482246053
Energy: 484.36778189435654
Energy: 486.6243940775029
Energy: 484.36778189435563
Energy: 486.8782021986861
Energy: 482.71372927012436
Energy: 483.78724959868913
Energy: 482.71372927012436
Energy: 485.1307670258027
Energy: 484.8708414850825
Energy: 483.482929679492
Energy: 484.8708414850825
Energy: 484.7489193218932
Energy: 481.09575223331495
Energy: 489.9028187143671
Energy: 481.09575223331416
Energy: 485.43471701918054
Energy: 481.83392469263026
Energy: 485.0215547819894
Energy: 481.83392469263026
Energy: 488.1231522751284
Energy: 481.0762103751084
Energy: 488.35331585882255
Energy: 481.0762103751084
Energy: 484.58709781084497
Energy: 483.10180205681013
Energy: 485.1619624280462
Energy: 483.1018020568094
Energy: 485.1051833437751
Energy: 484.5368538658925
Energy: 486.8399080369196
Energy: 484.5368538658933
Energy: 485.49098167606047
Energy: 484.535140602464
Energy: 486.5900105365871
Energy: 484.535140602464
Energy: 485.3774574778718
Energy: 483.23625867672456
Energy: 483.5688351934638
Energy: 483.23625867672456
Energy: 488.11364289818397
Energy: 481.1294264980281
Energy: 483.5497919796222
Energy: 481.1294264980281
Energy: 485.0213061629496
Energy: 482.9909972204762
Energy: 485.0659430861467
Energy: 482.9909972204753
Energy: 482.4578984896979
Energy: 481.13270609428696
Energy: 494.14220919259867
Energy: 481.13270609428696
Energy: 485.1896355088306
Energy: 482.9753837276724
Energy: 485.06397475478263
Energy: 482.97538372767144
Energy: 488.2028855517269
Energy: 481.1284820221529
Energy: 485.21054713156576
Energy: 481.1284820221529
Energy: 485.1877543273255
Energy: 483.0684675397843
Energy: 485.23810076884587
Energy: 483.0684675397843

minimum gb energy = 481.0762103751084 eV
minimum distance =  2.29218246103686 Angstroms
sigma value = 25


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

Energy: 411.27391299968195
Energy: 415.58743000236063
Energy: 428.29637929522465
Energy: 415.5874300023616
Energy: 415.22878402705095
Energy: 417.124062904098
Energy: 415.50011049245575
Energy: 417.12406290409706
Energy: 418.9589279886365
Energy: 410.88024780058385
Energy: 415.3835833873263
Energy: 410.88024780058385
Energy: 419.2424310604183
Energy: 413.09052974864886
Energy: 415.4209181567205
Energy: 413.09052974864983
Energy: 415.53863847007295
Energy: 414.9426835538768
Energy: 418.1547859035955
Energy: 414.9426835538768
Energy: 415.514055673814
Energy: 410.9023034804094
Energy: 415.23967083744225
Energy: 410.90230348041035
Energy: 415.2390241261155
Energy: 415.27602798884743
Energy: 411.61764960147286
Energy: 415.2760279888484
Energy: 419.0942309233881
Energy: 414.8480173428488
Energy: 415.4058421865693
Energy: 414.8480173428488
Energy: 411.80634602691265
Energy: 416.991191211024
Energy: 415.22710471093467
Energy: 416.991191211024
Energy: 415.3932717983237
Energy: 410.90145297777445
Energy: 417.33565163438084
Energy: 410.90145297777343
Energy: 419.08684864579055
Energy: 414.6877405708156
Energy: 415.47847671231375
Energy: 414.6877405708156
Energy: 415.0922803058629
Energy: 414.67381530411546
Energy: 415.44771072160614
Energy: 414.67381530411546
Energy: 415.3920678429925
Energy: 412.8227586512505
Energy: 417.2245898921268
Energy: 412.8227586512505
Energy: 411.7700208394098
Energy: 415.0555479805224
Energy: 415.39762793597424
Energy: 415.0555479805224
Energy: 422.71915867927083
Energy: 414.8197466543271
Energy: 415.32615582850235
Energy: 414.8197466543271
Energy: 415.25273250337483
Energy: 415.47371337158364
Energy: 415.46886295621596
Energy: 415.47371337158563
Energy: 419.04169969799733
Energy: 410.7875333311363
Energy: 419.02659219591686
Energy: 410.7875333311363
Energy: 415.41565516667043
Energy: 414.76102004881164
Energy: 419.07276323278677
Energy: 414.76102004881164
Energy: 417.23029964415844
Energy: 413.0101780868056
Energy: 415.3344317843097
Energy: 413.0101780868056
Energy: 415.2058697190418
Energy: 410.90271504112917
Energy: 415.3965985316097
Energy: 410.90271504112917
Energy: 413.6246232500745
Energy: 416.79219034490575
Energy: 415.5581954278411
Energy: 416.79219034490575
Energy: 411.598302401381
Energy: 415.5910122428771
Energy: 419.03911015525387
Energy: 415.5910122428771
Energy: 415.376586880538
Energy: 414.8746205763489
Energy: 415.3838013962718
Energy: 414.8746205763489
Energy: 419.115797706725
Energy: 410.8772627615226
Energy: 415.4772489002986
Energy: 410.8772627615216
Energy: 415.313312154466
Energy: 413.13033309895314
Energy: 415.32213747160733
Energy: 413.13033309895314

minimum gb energy = 410.7875333311363 eV
minimum distance =  2.32545379296857 Angstroms
sigma value = 9


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

Energy: 345.0238820574026
Energy: 345.07951965830586
Energy: 356.50348983092636
Energy: 345.07951965830586
Energy: 343.31872046048863
Energy: 347.3037216793155
Energy: 350.20117663405574
Energy: 347.3037216793155
Energy: 349.82844963573706
Energy: 345.14926469994265
Energy: 349.9830474014494
Energy: 345.14926469994265
Energy: 345.1984557174076
Energy: 342.72887030319004
Energy: 345.43703301372665
Energy: 342.72887030319004
Energy: 345.57742516507335
Energy: 347.44494177543623
Energy: 349.8775941978518
Energy: 347.44494177543623
Energy: 349.7427209830578
Energy: 345.08284410417735
Energy: 345.3647834115362
Energy: 345.08284410417735
Energy: 345.47512360103093
Energy: 345.61192502457703
Energy: 345.53932797999363
Energy: 345.61192502457703
Energy: 352.0559106496258
Energy: 345.11131580706626
Energy: 345.1761137538003
Energy: 345.11131580706626
Energy: 345.41790961123496
Energy: 347.42232270377013
Energy: 349.9978119610574
Energy: 347.42232270377013
Energy: 345.28682817914927
Energy: 345.04371883054813
Energy: 345.4624013738536
Energy: 345.04371883054813
Energy: 347.77683985865633
Energy: 347.319687601259
Energy: 348.9477479754227
Energy: 347.31968760126017
Energy: 345.18275295199743
Energy: 345.08638828431566
Energy: 345.5572497702597
Energy: 345.08638828431566
Energy: 349.94322031380875
Energy: 345.0770151081924
Energy: 352.29176656193295
Energy: 345.0770151081924
Energy: 341.0225992700457
Energy: 345.53394925632585
Energy: 350.07865852738104
Energy: 345.53394925632585
Energy: 349.94598814088494
Energy: 344.8482629499437
Energy: 352.11915227685944
Energy: 344.8482629499437
Energy: 345.18074993279623
Energy: 345.344538943395
Energy: 345.61603695387805
Energy: 345.3445389433938
Energy: 347.7350472428706
Energy: 347.1847638531005
Energy: 350.1679939413213
Energy: 347.1847638531005
Energy: 345.21897661435713
Energy: 345.18330421833997
Energy: 345.4322639145736
Energy: 345.1833042183268
Energy: 345.55740876255265
Energy: 347.4386289662945
Energy: 348.67423098524705
Energy: 347.4386289662933
Energy: 351.9406362114785
Energy: 345.08721792829306
Energy: 345.17865402901856
Energy: 345.08721792829425
Energy: 345.55945829035534
Energy: 344.6212819788219
Energy: 345.5394492438957
Energy: 344.6212819788219

minimum gb energy = 341.0225992700457 eV
minimum distance =  2.31945217594827 Angstroms
sigma value = 25


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

Energy: 418.3687442308013
Energy: 423.7715985386349
Energy: 434.9691506098432
Energy: 423.7715985386349
Energy: 421.2410661493827
Energy: 421.26089484792175
Energy: 424.3695027630869
Energy: 421.26089484792175
Energy: 424.3217528609689
Energy: 418.37686245684205
Energy: 424.0381926167476
Energy: 418.37686245684205
Energy: 418.51060295738756
Energy: 424.02365614195315
Energy: 424.1164731845755
Energy: 424.02365614195315
Energy: 424.1073751084944
Energy: 421.2121610485932
Energy: 421.2473025938117
Energy: 421.2121610485917
Energy: 424.0503299528255
Energy: 418.1209046812712
Energy: 424.1423017817748
Energy: 418.1209046812712
Energy: 424.2878957304769
Energy: 424.2794752023836
Energy: 424.1445370990615
Energy: 424.2794752023836
Energy: 424.12277092014716
Energy: 424.03634569322816
Energy: 418.4776133692981
Energy: 424.03634569322816
Energy: 424.3755976120001
Energy: 421.23988348209735
Energy: 421.27700975604495
Energy: 421.23988348209735
Energy: 418.63813737086
Energy: 418.3426133180641
Energy: 424.0514584731076
Energy: 418.3426133180626
Energy: 427.17221819080964
Energy: 424.0085057449941
Energy: 424.0217384277247
Energy: 424.0085057449941
Energy: 424.28970546646946
Energy: 418.55493295839176
Energy: 418.7482410797849
Energy: 418.55493295839176
Energy: 426.59599806873365
Energy: 418.14519698840877
Energy: 424.0304341479171
Energy: 418.14519698840877
Energy: 424.4470703259624
Energy: 423.95385216481924
Energy: 418.5495679453699
Energy: 423.95385216481924
Energy: 421.40837091788393
Energy: 423.8831613358186
Energy: 424.07403435394565
Energy: 423.8831613358186
Energy: 421.3014878026647
Energy: 418.2518518551084
Energy: 424.0124948380436
Energy: 418.2518518551084
Energy: 424.4390360701681
Energy: 421.3408277632457
Energy: 418.43081014449393
Energy: 421.3408277632457

minimum gb energy = 418.1209046812712 eV
minimum distance =  2.3418649819895 Angstroms
sigma value = 17


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

Energy: 496.1835450269647
Energy: 496.2429890600176
Energy: 512.9022828350246
Energy: 496.2429890600176
Energy: 497.6610043081709
Energy: 498.00401035293925
Energy: 499.7151364154246
Energy: 498.00401035293925
Energy: 499.3519746581588
Energy: 499.35975146393434
Energy: 499.5323581442003
Energy: 499.35975146393434
Energy: 499.7496224506702
Energy: 496.16192060529806
Energy: 499.387750638043
Energy: 496.1619206052972
Energy: 494.47477529610245
Energy: 496.20089046378337
Energy: 499.60838480557817
Energy: 496.20089046378257
Energy: 496.1154429098765
Energy: 496.0625212083753
Energy: 502.3271455011032
Energy: 496.0625212083753
Energy: 499.78324714030344
Energy: 497.801654699808
Energy: 499.68111129025215
Energy: 497.8016546998072
Energy: 502.1954058046669
Energy: 496.05723437929373
Energy: 496.274823718459
Energy: 496.05723437929373
Energy: 496.25594558059964
Energy: 497.78071711076535
Energy: 497.97110814180155
Energy: 497.78071711076535
Energy: 496.02435434083463
Energy: 493.07683498315345
Energy: 499.8411681030544
Energy: 493.07683498315345
Energy: 499.50753590387654
Energy: 496.0491848404252
Energy: 499.3733784032619
Energy: 496.0491848404252
Energy: 496.31698838775634
Energy: 497.8314219987411
Energy: 496.3384468349387
Energy: 497.8314219987402
Energy: 499.11424396865885
Energy: 496.1616904670517
Energy: 496.4512441479786
Energy: 496.1616904670526
Energy: 499.59473623063906
Energy: 494.48406116542463
Energy: 497.74099890284657
Energy: 494.48406116542384
Energy: 496.16785218711306
Energy: 497.95995478521354
Energy: 496.368234363414
Energy: 497.95995478521354
Energy: 499.34183903226483
Energy: 496.11720985387245
Energy: 502.64045114423664
Energy: 496.11720985387245
Energy: 499.5998644209553
Energy: 499.5593858708355
Energy: 496.05913264652446
Energy: 499.5593858708355
Energy: 501.0575855675357
Energy: 499.3008524552631
Energy: 496.1145071413083
Energy: 499.3008524552631
Energy: 498.0302725301463
Energy: 497.8577859028178
Energy: 497.80154891507834
Energy: 497.8577859028178
Energy: 499.6731995902113
Energy: 496.1600419915862
Energy: 499.56297552033595
Energy: 496.1600419915853
Energy: 501.12050864571603
Energy: 499.26531977339556
Energy: 499.27922434986283
Energy: 499.26531977339556
Energy: 499.6108292702224
Energy: 496.30481812362945
Energy: 495.96742484524214
Energy: 496.30481812362945
Energy: 502.402204499266
Energy: 496.2420162249525
Energy: 499.34147991049986
Energy: 496.24201622495167
Energy: 496.4231604641817
Energy: 497.87783631485905
Energy: 499.5121656692346
Energy: 497.87783631485905
Energy: 496.4590728554849
Energy: 499.5701740102754
Energy: 499.3713727157603
Energy: 499.5701740102754
Energy: 501.1799056470061
Energy: 496.06632298461307
Energy: 499.3694025255998
Energy: 496.06632298461386
Energy: 499.555007539052
Energy: 496.20696026078474
Energy: 492.9227691049576
Energy: 496.20696026078474
Energy: 502.6901809640287
Energy: 496.0287361488595
Energy: 499.3055337797112
Energy: 496.0287361488595
Energy: 496.3959531899295
Energy: 496.1745627452553
Energy: 499.57274206337024
Energy: 496.1745627452553
Energy: 496.27295672862004
Energy: 497.79928170453474
Energy: 500.91465337619843
Energy: 497.79928170453377

minimum gb energy = 492.9227691049576 eV
minimum distance =  2.26907499662896 Angstroms
sigma value = 53


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

Energy: 432.05840193062863
Energy: 431.96278223241603
Energy: 449.52412082917
Energy: 431.9627822324179
Energy: 428.1566709641357
Energy: 437.011942648117
Energy: 436.2301002317663
Energy: 437.011942648117
Energy: 432.1870878278315
Energy: 432.17428073584756
Energy: 437.9164298107247
Energy: 432.17428073584756
Energy: 432.1466077465602
Energy: 431.88194617740834
Energy: 437.7794634673089
Energy: 431.88194617740834
Energy: 428.1520715204874
Energy: 435.78424650403457
Energy: 435.9467117592806
Energy: 435.78424650402485
Energy: 432.05840193063057
Energy: 431.9627822324179
Energy: 439.34960362257647
Energy: 431.9627822324179
Energy: 428.15667096413375
Energy: 437.011942648117
Energy: 436.2301002317663
Energy: 437.011942648117
Energy: 432.1870878278315
Energy: 432.1742807358495
Energy: 437.9164298107267
Energy: 432.17428073584756
Energy: 432.1466077465563
Energy: 431.88194617741027
Energy: 437.8145437958663
Energy: 431.88194617741027
Energy: 428.1520715204874
Energy: 435.78424650399586
Energy: 435.8416457458503
Energy: 435.78424650401513
Energy: 432.05840193062863
Energy: 431.9627822324179
Energy: 439.34960362257647
Energy: 431.9627822324179
Energy: 428.1566709641357
Energy: 437.011942648117
Energy: 436.2301002317663
Energy: 437.011942648117
Energy: 432.1870878278315
Energy: 432.17428073584756
Energy: 435.7576661342951
Energy: 432.17428073584756

minimum gb energy = 428.1520715204874 eV
minimum distance =  2.27538084656637 Angstroms
sigma value = 9


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

Energy: 582.5417174418017
Energy: 585.1408510600364
Energy: 593.1879758222685
Energy: 585.1408510600356
Energy: 583.9024943480624
Energy: 585.4564969575307
Energy: 585.5345243593498
Energy: 585.45649695753
Energy: 588.4471559330673
Energy: 585.3055352641089
Energy: 586.7887434702897
Energy: 585.3055352641089
Energy: 587.9426129004324
Energy: 585.5430481216888
Energy: 585.4074392061757
Energy: 585.5430481216894
Energy: 586.4221068499361
Energy: 583.9739657150152
Energy: 588.5154825896639
Energy: 583.9739657150152
Energy: 585.3430492841754
Energy: 585.2749683136896
Energy: 590.7148614642331
Energy: 585.2749683136888
Energy: 583.5420104537254
Energy: 585.5861606867591
Energy: 585.4463687634011
Energy: 585.5861606867591
Energy: 585.3619417372382
Energy: 585.4809586883105
Energy: 586.5751272839882
Energy: 585.4809586883105
Energy: 588.2066833147035
Energy: 582.5873017814483
Energy: 585.4203517853964
Energy: 582.5873017814483
Energy: 588.4064868006857
Energy: 585.4016248830857
Energy: 585.4796475872193
Energy: 585.4016248830849
Energy: 585.3169039737576
Energy: 585.3008976599389
Energy: 592.3692831173354
Energy: 585.3008976599389
Energy: 583.730997205607
Energy: 582.6089546996351
Energy: 588.3926296747666
Energy: 582.6089546996351
Energy: 588.3298269107045
Energy: 584.0580922975713
Energy: 585.2135556829464
Energy: 584.0580922975713
Energy: 588.2325067685988
Energy: 585.2969543502468
Energy: 582.5935122704543
Energy: 585.2969543502468
Energy: 585.4586055889212
Energy: 584.0237599200561
Energy: 585.6190494676653
Energy: 584.0237599200561
Energy: 588.2850739551773
Energy: 582.638354624156
Energy: 591.0643197608158
Energy: 582.638354624156
Energy: 585.3337358418638
Energy: 584.0073704451441
Energy: 585.4092439512502
Energy: 584.0073704451441
Energy: 585.3482972458706
Energy: 585.4113945111723
Energy: 586.7108912299257
Energy: 585.4113945111723
Energy: 589.2280109469699
Energy: 583.8049701595868
Energy: 585.4743586170292
Energy: 583.8049701595868
Energy: 588.4132558369221
Energy: 582.5153267453729
Energy: 582.4700063568438
Energy: 582.5153267453729
Energy: 588.0583288755756
Energy: 585.3361632396814
Energy: 588.079126808154
Energy: 585.3361632396814
Energy: 582.5335594546713
Energy: 584.1105067513054
Energy: 588.4132217226359
Energy: 584.1105067513054
Energy: 585.5237005032402
Energy: 583.8500515504842
Energy: 588.1322190560511
Energy: 583.8500515504842
Energy: 589.2091462220861
Energy: 585.5831708681186
Energy: 585.3223203849112
Energy: 585.5831708681186
Energy: 585.3806499304867
Energy: 585.8219849499021
Energy: 582.3177059672973
Energy: 585.8219849499021
Energy: 589.6723180297508
Energy: 585.3090345493569
Energy: 588.1015982916665
Energy: 585.3090345493589
Energy: 584.0730202007901
Energy: 583.973919453581
Energy: 588.0564802269249
Energy: 583.973919453581
Energy: 582.6454520143714
Energy: 585.2786721009763
Energy: 588.1259682687827
Energy: 585.2786721009763
Energy: 588.3640690002311
Energy: 585.4606561621472
Energy: 588.2864737464739
Energy: 585.4606561621472
Energy: 585.4655498271563
Energy: 585.4075422139591
Energy: 582.3666215446375
Energy: 585.4075422139591
Energy: 590.7134123840075
Energy: 585.3642059070062
Energy: 585.3135221398065
Energy: 585.3642059070056
Energy: 585.5247310261655
Energy: 585.548926815416
Energy: 588.119601709548
Energy: 585.5489268154168
Energy: 585.5014252703377
Energy: 584.032250008848
Energy: 588.4071242231273
Energy: 584.0322500088474
Energy: 588.2472915058023
Energy: 585.6084268789946
Energy: 587.9120538063272
Energy: 585.6084268789946
Energy: 588.4494727161278
Energy: 581.3819256019872
Energy: 583.6514921463888
Energy: 581.3819256019864

minimum gb energy = 581.3819256019864 eV
minimum distance =  2.29843547624932 Angstroms
sigma value = 73


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

Energy: 364.5380552868486
Energy: 364.47900792281905
Energy: 381.1630048234499
Energy: 364.47900792281905
Energy: 363.3039404434896
Energy: 363.5262233530674
Energy: 365.5654561594933
Energy: 363.52622335306626
Energy: 365.6152389039359
Energy: 365.6581662775681
Energy: 366.62806754041134
Energy: 365.6581662775681
Energy: 369.99348152441576
Energy: 364.3586728494089
Energy: 364.3011123443982
Energy: 364.3586728494089
Energy: 368.87267004599494
Energy: 364.3955532088205
Energy: 366.6597988686778
Energy: 364.39555320881936
Energy: 364.3156616586279
Energy: 365.42381035015
Energy: 375.67972547030513
Energy: 365.42381035015
Energy: 363.17263003246853
Energy: 366.7663526691192
Energy: 365.45708006547505
Energy: 366.7663526691192
Energy: 369.1302389299184
Energy: 365.5909401052923
Energy: 366.34601604713987
Energy: 365.59094010529344
Energy: 369.8637428067392
Energy: 365.6907670127978
Energy: 365.5089389310796
Energy: 365.6907670128274
Energy: 365.523011546581
Energy: 366.7970260161366
Energy: 365.57662651797267
Energy: 366.7970260161366
Energy: 368.7302791492808
Energy: 365.46600738884723
Energy: 368.6501282177103
Energy: 365.46600738884723
Energy: 365.35853130965694
Energy: 364.4272106843705
Energy: 369.99388546680166
Energy: 364.4272106843705
Energy: 364.3709765482346
Energy: 367.76776405622627
Energy: 366.7576994217983
Energy: 367.76776405622627
Energy: 371.8390074211254
Energy: 366.52057706683246
Energy: 364.312652619454
Energy: 366.52057706683246
Energy: 369.97655002208427
Energy: 362.18392187322735
Energy: 365.4398753395407
Energy: 362.1839218732285
Energy: 368.7150604441099
Energy: 365.4825114182043
Energy: 368.7189536126287
Energy: 365.4825114182043
Energy: 364.5419180506488
Energy: 364.485689373072
Energy: 365.4867146625098
Energy: 364.485689373072
Energy: 364.59935507411905
Energy: 364.32591976757567
Energy: 365.5017868564549
Energy: 364.32591976757567
Energy: 370.0760631770368
Energy: 365.4664973865067
Energy: 368.7142135236294
Energy: 365.4664973865067
Energy: 365.51319149262844
Energy: 362.2414368214553
Energy: 362.02277901132
Energy: 362.2414368214553
Energy: 370.93060155070066
Energy: 365.5623582173669
Energy: 364.31694666333556
Energy: 365.5623582173669
Energy: 364.3445057373489
Energy: 364.4536841201352
Energy: 367.67226113180914
Energy: 364.4536841201352

minimum gb energy = 362.02277901132 eV
minimum distance =  2.29799532944876 Angstroms
sigma value = 7


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

Energy: 519.8783541517358
Energy: 519.9227851559842
Energy: 533.2192676875525
Energy: 519.9227851559842
Energy: 521.0463544001988
Energy: 518.233145936779
Energy: 519.8546287559586
Energy: 518.233145936779
Energy: 523.008446125716
Energy: 519.9561623377175
Energy: 522.9430511977413
Energy: 519.9561623377175
Energy: 526.0212231800335
Energy: 518.3910712612214
Energy: 519.902093399446
Energy: 518.3910712612214
Energy: 522.9534923068757
Energy: 519.9899930954522
Energy: 522.4026743960949
Energy: 519.9899930954522
Energy: 522.9166051651862
Energy: 519.8488759522561
Energy: 525.9929769176556
Energy: 519.8488759522576
Energy: 518.159729728783
Energy: 520.0922676720595
Energy: 523.0113706432062
Energy: 520.0922676720595
Energy: 522.9210281989322
Energy: 519.9161012510017
Energy: 524.2646035775402
Energy: 519.9161012510017
Energy: 524.4883986948785
Energy: 521.7217918207596
Energy: 519.8138042514446
Energy: 521.7217918207588
Energy: 523.0093333711516
Energy: 518.5355844407981
Energy: 519.6672586393738
Energy: 518.5355844407884
Energy: 526.0116212617518
Energy: 519.9875540905666
Energy: 522.8611614736188
Energy: 519.9875540905666
Energy: 520.0258680116991
Energy: 520.0061349089584
Energy: 523.0597277401346
Energy: 520.0061349089576
Energy: 520.0687376956423
Energy: 519.8552259949766
Energy: 523.0533899379164
Energy: 519.8552259949766
Energy: 522.9076257565837
Energy: 523.0581317328453
Energy: 522.777285249069
Energy: 523.0581317328453
Energy: 523.09561657338
Energy: 518.5077051407443
Energy: 517.9106262085314
Energy: 518.5077051407443
Energy: 527.3839068592383
Energy: 523.3112935045502
Energy: 519.8246855570839
Energy: 523.3112935045502
Energy: 523.0284033002275
Energy: 520.1365069596203
Energy: 521.4993834297665
Energy: 520.1365069596203
Energy: 521.4793132898033
Energy: 521.6536665455478
Energy: 522.559904631638
Energy: 521.6536665455478
Energy: 522.9601066245575
Energy: 519.8809793991994
Energy: 522.8679380662747
Energy: 519.8809793992002
Energy: 523.0042404891661
Energy: 519.9313172288466
Energy: 522.7202951864327
Energy: 519.9313172288466
Energy: 526.0177320406583
Energy: 519.9033866023698
Energy: 519.8091819791501
Energy: 519.9033866023689
Energy: 522.9953468989074
Energy: 520.0741077860442
Energy: 521.3950472292403
Energy: 520.0741077860451
Energy: 519.7378177642429
Energy: 521.5942373669254
Energy: 522.3114073300259
Energy: 521.5942373669254
Energy: 519.9758563125164
Energy: 519.8741081545431
Energy: 525.9045987291242
Energy: 519.8741081545438
Energy: 518.1697362739031
Energy: 520.0886481945099
Energy: 521.6251359963098
Energy: 520.0886481945091
Energy: 525.9614223624491
Energy: 520.0001784519802
Energy: 522.9325730427457
Energy: 520.0001784519802
Energy: 522.9893395306948
Energy: 518.4457064606895
Energy: 521.5513000303803
Energy: 518.4457064606903
Energy: 525.9302053437734
Energy: 519.9938895170984
Energy: 519.9089107072991
Energy: 519.9938895170984
Energy: 522.9650973234606
Energy: 519.8566912189258
Energy: 525.9941400274823
Energy: 519.8566912189267
Energy: 519.4400752771414
Energy: 517.1880324117742
Energy: 519.8173471367145
Energy: 517.1880324117742
Energy: 522.9648766579196
Energy: 519.9242919782646
Energy: 526.8663408486211
Energy: 519.9242919782637

minimum gb energy = 517.1880324117742 eV
minimum distance =  2.308015358721 Angstroms
sigma value = 29


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

Energy: 378.0579445018604
Energy: 391.34310530896005
Energy: 388.86939919618743
Energy: 391.34310530896005
Energy: 383.10585853007353
Energy: 377.88304241716224
Energy: 377.9614381253136
Energy: 377.88304241716196
Energy: 386.05162960566264
Energy: 378.05578470839936
Energy: 383.8063874705465
Energy: 378.05578470839964
Energy: 378.05796104302044
Energy: 383.4664210645842
Energy: 378.0073776435219
Energy: 383.46642106455596
Energy: 378.1352859006521
Energy: 383.2968364752102
Energy: 383.40282838530396
Energy: 383.2968364752102
Energy: 388.48080454512495
Energy: 378.05950668666304
Energy: 388.4795251415512
Energy: 378.0595066866635
Energy: 386.0428803444432
Energy: 383.33073496048485
Energy: 378.12725388251204
Energy: 383.33073496048485
Energy: 377.9474817453258
Energy: 383.60104052553595
Energy: 378.03850625394085
Energy: 383.6010405255357
Energy: 383.8110134977296
Energy: 378.00239230990263
Energy: 388.63842456697483
Energy: 378.0023923099054

minimum gb energy = 377.88304241716196 eV
minimum distance =  2.34818524331819 Angstroms
sigma value = 5


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

Energy: 548.5118170968153
Energy: 551.4889266752812
Energy: 561.4409475432346
Energy: 551.4889266752803
Energy: 551.2722886419551
Energy: 549.7689078472372
Energy: 554.3817584209081
Energy: 549.7689078472372
Energy: 554.3831396446
Energy: 554.6016748915131
Energy: 554.3839573435306
Energy: 554.6016748915139
Energy: 557.3129595637128
Energy: 551.3825969216001
Energy: 551.6250768816959
Energy: 551.3825969216001
Energy: 551.6823801871619
Energy: 549.9693472303177
Energy: 552.2809172777594
Energy: 549.969347230317
Energy: 557.2476181643993
Energy: 551.407646874802
Energy: 554.4829383340206
Energy: 551.4076468748027
Energy: 554.3998479639058
Energy: 550.0072700511009
Energy: 554.3784679918416
Energy: 550.0072700511009
Energy: 554.4317947763781
Energy: 551.4007059722933
Energy: 554.397615128445
Energy: 551.4007059722933
Energy: 551.6879261507333
Energy: 550.0110925087833
Energy: 555.3734607504075
Energy: 550.0110925087833
Energy: 551.6725094822336
Energy: 549.9796598994726
Energy: 557.4129179757612
Energy: 549.9796598994718
Energy: 556.1129986358832
Energy: 551.4014038009384
Energy: 554.4050247274562
Energy: 551.4014038009376
Energy: 554.4221514540911
Energy: 551.4470163160868
Energy: 551.5503438749544
Energy: 551.4470163160868
Energy: 557.2170479915384
Energy: 551.5502308560222
Energy: 550.8187845250524
Energy: 551.5502308560222
Energy: 551.674495921329
Energy: 551.6329361451266
Energy: 551.0147194392862
Energy: 551.6329361451259
Energy: 551.0390182004992
Energy: 551.5370146363784
Energy: 554.4131127250649
Energy: 551.5370146363791
Energy: 551.7356812582522
Energy: 554.6141574128405
Energy: 559.5725584658082
Energy: 554.6141574128405
Energy: 551.217372836174
Energy: 551.4025329136933
Energy: 552.9146482809009
Energy: 551.4025329136933
Energy: 551.4877926031206
Energy: 551.419892476193
Energy: 555.8400892851278
Energy: 551.419892476193
Energy: 552.65349873196
Energy: 549.9686991796981
Energy: 554.4590604915023
Energy: 549.9686991796981
Energy: 554.3473480676502
Energy: 549.9342910328236
Energy: 552.9487280342944
Energy: 549.9342910328236
Energy: 557.4516837163535
Energy: 551.4546556076433
Energy: 551.6264644730528
Energy: 551.4546556076433
Energy: 551.6424775542184
Energy: 549.9634841381886
Energy: 551.6386106534169
Energy: 549.9634841381886
Energy: 554.4287501497923
Energy: 551.3876742934123
Energy: 557.6210314473808
Energy: 551.3876742934123
Energy: 551.7291858066911
Energy: 548.4048751643077
Energy: 554.415944076173
Energy: 548.4048751643084
Energy: 551.4689628958458
Energy: 550.0075574123916
Energy: 554.368038682576
Energy: 550.0075574123908
Energy: 551.6497958166391
Energy: 551.4392390557532
Energy: 551.6699681507017
Energy: 551.4392390557532
Energy: 554.432067668654
Energy: 552.9066137497273
Energy: 552.8894289429148
Energy: 552.9066137497273
Energy: 562.4931796661638
Energy: 551.3922014314901
Energy: 551.7065476773973
Energy: 551.3922014314901
Energy: 554.3952390250845
Energy: 549.6763400823972
Energy: 549.5434311809478
Energy: 549.6763400823988
Energy: 556.6104760588306
Energy: 551.4986954751198
Energy: 551.5094781771492
Energy: 551.4986954751198
Energy: 554.4934907763679
Energy: 552.9837691775183
Energy: 555.6391120840184
Energy: 552.9837691775183
Energy: 551.1957838377228
Energy: 553.1284591967294
Energy: 554.4180199446648
Energy: 553.1284591967286
Energy: 551.6425934230278
Energy: 551.3486476025865
Energy: 557.4079345356589
Energy: 551.3486476025873

minimum gb energy = 548.4048751643077 eV
minimum distance =  2.23383433891434 Angstroms
sigma value = 1


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

Energy: 397.27811780551315
Energy: 397.2881988106017
Energy: 404.2126737806482
Energy: 397.2881988106017
Energy: 395.2152870043357
Energy: 397.5043870130543
Energy: 397.19061952193755
Energy: 397.5043870130501
Energy: 401.4623092863712
Energy: 397.23390997624523
Energy: 401.0710107706377
Energy: 397.23390997624523
Energy: 399.05674569536575
Energy: 397.25957710240573
Energy: 397.2263775032176
Energy: 397.2595771024047
Energy: 401.44259979600645
Energy: 395.04486477504116
Energy: 397.8621285122126
Energy: 395.0448647750401
Energy: 401.0580805620138
Energy: 397.3472323412289
Energy: 397.2271124255372
Energy: 397.3472323412289
Energy: 401.4551982219076
Energy: 395.1907898054407
Energy: 400.51496581996224
Energy: 395.1907898054407
Energy: 401.5402228482138
Energy: 397.0499905164137
Energy: 400.4334839187223
Energy: 397.0499905164137
Energy: 397.23483686444416
Energy: 395.2768309373831
Energy: 399.4631472818189
Energy: 395.2768309373831
Energy: 397.2973340931797
Energy: 395.08294177857226
Energy: 400.43240618291577
Energy: 395.08294177857226
Energy: 401.5336053220547
Energy: 397.0513635988564
Energy: 399.40150387835183
Energy: 397.0513635988564
Energy: 401.45456695126364
Energy: 395.25203568230285
Energy: 401.4506027330187
Energy: 395.25203568230177
Energy: 401.19719185865824
Energy: 396.95113361361916
Energy: 397.15414751372805
Energy: 396.95113361361916
Energy: 401.4409051762323
Energy: 395.2915693852632
Energy: 398.05245560232345
Energy: 395.2915693852632
Energy: 399.10519954257063
Energy: 397.2602489193369
Energy: 397.26089748636076
Energy: 397.260248919338
Energy: 401.4625643712331
Energy: 397.18031188259994
Energy: 401.3719513502382
Energy: 397.18031188259994
Energy: 395.20596993344054
Energy: 397.1190065505319
Energy: 397.17961479732566
Energy: 397.1190065505592
Energy: 397.27811780551315
Energy: 397.2881988106017
Energy: 405.2156806674909
Energy: 397.2881988106017
Energy: 395.21528700434516
Energy: 397.5043870130344
Energy: 397.19061952193755
Energy: 397.50438701301744
Energy: 401.46230928637226
Energy: 397.23390997624415
Energy: 401.07101077063663
Energy: 397.23390997624523
Energy: 399.05674569536575
Energy: 397.25957710240573
Energy: 397.2263775032176
Energy: 397.25957710240573
Energy: 401.4425997960075
Energy: 395.04486477504116
Energy: 396.9272977362201
Energy: 395.0448647750401
Energy: 401.05808056200647
Energy: 397.3472323412289
Energy: 397.2271124255372
Energy: 397.3472323412289
Energy: 401.4551982219087
Energy: 395.1907898054407
Energy: 399.54164071766786
Energy: 395.1907898054407

minimum gb energy = 395.0448647750401 eV
minimum distance =  2.32850714909176 Angstroms
sigma value = 17


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

Energy: 645.57347416222
Energy: 645.6046374142288
Energy: 660.8709163121423
Energy: 645.6046374142288
Energy: 646.68982141538
Energy: 645.2966315638308
Energy: 648.0912942226138
Energy: 645.2966315638321
Energy: 648.1225361719024
Energy: 648.0939530883097
Energy: 650.605647117203
Energy: 648.093953088309
Energy: 651.523239410171
Energy: 647.9145854075242
Energy: 648.0912990194042
Energy: 647.9145854075248
Energy: 650.8240216303001
Energy: 644.1635174865826
Energy: 646.5171102456704
Energy: 644.1635174865826
Energy: 653.1451916277741
Energy: 645.212333657266
Energy: 645.5841032065886
Energy: 645.2123336572639
Energy: 648.053830760499
Energy: 646.7634447408345
Energy: 647.997281220874
Energy: 646.7634447408352
Energy: 650.8682532205287
Energy: 646.6772604028089
Energy: 650.8090472888588
Energy: 646.6772604028096
Energy: 648.0573216528535
Energy: 644.0514116366865
Energy: 649.9701568300441
Energy: 644.0514116366859
Energy: 648.0348581341527
Energy: 644.0426008702566
Energy: 648.0346877546098
Energy: 644.042600870254
Energy: 648.0509523458962
Energy: 647.8191278828044
Energy: 650.7682501765354
Energy: 647.8191278828037
Energy: 648.1295988678625
Energy: 645.5695317648214
Energy: 650.827475077939
Energy: 645.5695317648201
Energy: 653.2809398214998
Energy: 645.1993133276638
Energy: 648.0262399660531
Energy: 645.1993133276643
Energy: 650.8138548033236
Energy: 644.1527170922325
Energy: 645.6005927055768
Energy: 644.1527170922325
Energy: 650.731746580397
Energy: 646.810917702884
Energy: 645.5796516219199
Energy: 646.8109177028847
Energy: 648.0514867872065
Energy: 647.9955772102746
Energy: 646.6763693991098
Energy: 647.9955772102746
Energy: 649.1527315117901
Energy: 646.6445918284832
Energy: 648.0540866420536
Energy: 646.6445918284826
Energy: 648.0989402641916
Energy: 645.4383652244468
Energy: 651.7017453440045
Energy: 645.4383652244468
Energy: 645.1704047294161
Energy: 645.2726971904447
Energy: 647.8000099595864
Energy: 645.2726971904447
Energy: 645.548896115128
Energy: 648.0864558241049
Energy: 656.9221621107378
Energy: 648.0864558241049
Energy: 647.580851606739
Energy: 646.7442183118056
Energy: 648.0610173362785
Energy: 646.744218311805
Energy: 648.1522889946744
Energy: 645.3983387640387
Energy: 647.7248570561396
Energy: 645.3983387640393
Energy: 651.7171498423099
Energy: 645.3493571772584
Energy: 645.551683532422
Energy: 645.3493571772591
Energy: 648.0823808733265
Energy: 646.7542357579459
Energy: 646.7545504273259
Energy: 646.7542357579459
Energy: 653.2164589279694
Energy: 645.4590445905417
Energy: 648.0911273598567
Energy: 645.4590445905417
Energy: 648.0377299676153
Energy: 644.152488877961
Energy: 649.1812764769885
Energy: 644.152488877961
Energy: 648.0192042350451
Energy: 645.2416415622035
Energy: 648.031018093009
Energy: 645.2416415622041
Energy: 645.5810992053131
Energy: 646.7172330241848
Energy: 650.8525147181053
Energy: 646.7172330241848
Energy: 645.5429515348781
Energy: 644.1819567486947
Energy: 650.6498721326018
Energy: 644.1819567486986
Energy: 648.0330240792155
Energy: 645.2410786931765
Energy: 650.6643591204243
Energy: 645.2410786931771
Energy: 650.790776003246
Energy: 644.178350429238
Energy: 648.1170348425868
Energy: 644.1783504292359
Energy: 650.6472137835291
Energy: 647.8433067008812
Energy: 648.0746380947065
Energy: 647.8433067008825
Energy: 648.1234424164215
Energy: 644.0862591092504
Energy: 646.7192245995286
Energy: 644.0862591092497
Energy: 650.8706952805667
Energy: 644.038853641736
Energy: 645.6319761560189
Energy: 644.0388536417365
Energy: 650.8197803815182
Energy: 645.4006072451688
Energy: 649.2483926393525
Energy: 645.4006072451701
Energy: 648.104778531954
Energy: 646.770151743641
Energy: 648.0381293364787
Energy: 646.7701517436416
Energy: 645.550976089898
Energy: 645.3143398747588
Energy: 653.250277700826
Energy: 645.3143398747595
Energy: 646.4884217588962
Energy: 644.147776780398
Energy: 648.0612697657534
Energy: 644.1477767803987

minimum gb energy = 644.038853641736 eV
minimum distance =  2.30844580067882 Angstroms
sigma value = 89


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

Energy: 369.47818267440016
Energy: 369.28246586816977
Energy: 385.1914923949082
Energy: 369.28246586816977
Energy: 369.6760491853302
Energy: 366.1319071048577
Energy: 369.62174155767843
Energy: 366.1319071048577
Energy: 369.35427328867735
Energy: 362.41781150153105
Energy: 374.3639752827682
Energy: 362.41781150153105
Energy: 372.5389341457126
Energy: 366.0790346060552
Energy: 369.38036064200526
Energy: 366.0790346060552
Energy: 369.52954399051725
Energy: 369.484226830471
Energy: 368.9099930651776
Energy: 369.484226830471
Energy: 369.3605521287389
Energy: 369.5801202372274
Energy: 369.45769660864687
Energy: 369.5801202372274
Energy: 369.352277259743
Energy: 362.6466884820949
Energy: 369.58879181160273
Energy: 362.6466884820949
Energy: 376.3136831261103
Energy: 362.8606850345342
Energy: 369.3836041958855
Energy: 362.8606850345342
Energy: 369.59058876299025
Energy: 369.4646792808119
Energy: 374.42560189139937
Energy: 369.4646792808119
Energy: 366.22328037220666
Energy: 369.13394149389893
Energy: 369.4539523544253
Energy: 369.13394149389893
Energy: 369.3655233335822
Energy: 366.0733326569943
Energy: 369.6603599154462
Energy: 366.0733326569943
Energy: 369.6217176375877
Energy: 362.904609793122
Energy: 369.38582690351245
Energy: 362.9046097931204
Energy: 369.57647235606316
Energy: 369.37608756429626
Energy: 372.84590785628654
Energy: 369.3760875642946
Energy: 369.33475683807285
Energy: 369.3951655705188
Energy: 369.33895984312545
Energy: 369.3951655705188
Energy: 376.3445111870578
Energy: 369.37230065996647
Energy: 369.55334834161613
Energy: 369.3723006599682

minimum gb energy = 362.41781150153105 eV
minimum distance =  2.33566249866856 Angstroms
sigma value = 13


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

Energy: 586.6032745870275
Energy: 589.2872040308154
Energy: 599.0934024765703
Energy: 589.2872040308162
Energy: 588.0667829209983
Energy: 586.3949215579029
Energy: 592.4366316095717
Energy: 586.3949215579037
Energy: 589.7672070470576
Energy: 589.2157372792464
Energy: 596.745180142432
Energy: 589.2157372792464
Energy: 590.9038019636353
Energy: 586.3833050431432
Energy: 592.4257702927127
Energy: 586.3833050431432
Energy: 589.7876545062628
Energy: 589.4228846690903
Energy: 590.5382537777172
Energy: 589.4228846690903
Energy: 593.9338437338038
Energy: 586.4870912407052
Energy: 589.733017436749
Energy: 586.4870912407052
Energy: 589.520837216678
Energy: 587.733167832255
Energy: 589.9932358278922
Energy: 587.733167832255
Energy: 595.3265311596357
Energy: 586.2598082518657
Energy: 589.7195005111569
Energy: 586.2598082518665
Energy: 589.4921830506795
Energy: 587.9804145230127
Energy: 590.8524131386721
Energy: 587.9804145230127
Energy: 593.880928100843
Energy: 586.4031338990553
Energy: 592.402955636345
Energy: 586.4031338990545
Energy: 589.504765037231
Energy: 586.422527493668
Energy: 595.0705703742714
Energy: 586.422527493668
Energy: 589.4396206284495
Energy: 586.4550186959906
Energy: 592.5344658035764
Energy: 586.4550186959906
Energy: 586.6523175675767
Energy: 588.0577093291294
Energy: 594.4842355106189
Energy: 588.0577093291294
Energy: 589.4818865753999
Energy: 586.6032499858858
Energy: 592.5066293899575
Energy: 586.6032499858844
Energy: 589.7434366914579
Energy: 589.4989562537539
Energy: 593.9024885707461
Energy: 589.4989562537539
Energy: 592.5962633447556
Energy: 586.6268044613543
Energy: 592.3839090740864
Energy: 586.6268044614797
Energy: 592.4245576284522
Energy: 589.4482313308062
Energy: 592.5055865806833
Energy: 589.4482313308054
Energy: 592.553641594791
Energy: 587.7079480727592
Energy: 589.5174756058925
Energy: 587.7079480727592
Energy: 592.3688426191377
Energy: 587.7069098889434
Energy: 589.4971715074831
Energy: 587.7069098889441
Energy: 592.4050354842847
Energy: 588.0968768975654
Energy: 589.5023048343415
Energy: 588.0968768975661
Energy: 592.5589757471633
Energy: 588.4220074042008
Energy: 589.5191608603893
Energy: 588.4220074042063
Energy: 592.363782662391
Energy: 589.7636432620567
Energy: 592.5766598451974
Energy: 589.763643262051
Energy: 592.5643474801949
Energy: 587.0414124284628
Energy: 592.515991020151
Energy: 587.0414124284605
Energy: 589.7618906606647
Energy: 589.514024044746
Energy: 595.2441072063234
Energy: 589.5140240447466
Energy: 589.4841430128392
Energy: 586.4475572823171
Energy: 592.4955649632955
Energy: 586.4475572823171
Energy: 586.6253575019318
Energy: 588.1237563229134
Energy: 595.1725078326261
Energy: 588.1237563229134
Energy: 589.4634658753805
Energy: 586.5194871142221
Energy: 592.5324840365579
Energy: 586.5194871142228
Energy: 589.7814495057825
Energy: 586.3968052346453
Energy: 595.1753533903118
Energy: 586.3968052346453
Energy: 593.7774782760996
Energy: 586.3801988540777
Energy: 592.4038497302001
Energy: 586.3801988540769
Energy: 589.7649191826043
Energy: 587.7462777116891
Energy: 592.2932062062926
Energy: 587.7462777116891
Energy: 595.3381436597165
Energy: 586.2840634733288
Energy: 589.7153122701691
Energy: 586.2840634733296
Energy: 589.7711657235709
Energy: 587.7385553063009
Energy: 590.7601323484131
Energy: 587.7385553063009
Energy: 593.7243839021926
Energy: 586.717741316649
Energy: 589.7400510361261
Energy: 586.7177413166484
Energy: 589.5263333552186
Energy: 589.3841083118427
Energy: 592.4923149697805
Energy: 589.3841083118435
Energy: 590.8985344612653
Energy: 586.5549851662138
Energy: 592.4410683826002
Energy: 586.5549851662089

minimum gb energy = 586.2598082518657 eV
minimum distance =  2.26280885203771 Angstroms
sigma value = 37


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

Energy: 338.1103362538312
Energy: 338.1190298563269
Energy: 352.4959114843757
Energy: 338.1190298563281
Energy: 340.58999833378834
Energy: 337.9154134248755
Energy: 343.1275154149743
Energy: 337.9154134248755
Energy: 342.9558290410971
Energy: 337.9449132755837
Energy: 347.36985011033255
Energy: 337.9449132755825
Energy: 342.88764301883725
Energy: 337.7992981523066
Energy: 343.00280840584406
Energy: 337.7992981523066
Energy: 343.1545763507815
Energy: 337.9615254083641
Energy: 345.19178707961566
Energy: 337.96152540836283
Energy: 344.96977963131803
Energy: 337.89514382596036
Energy: 342.9845448903685
Energy: 337.89514382596036
Energy: 343.0380858639153
Energy: 335.5886019086743
Energy: 340.4184471795149
Energy: 335.5886019086743
Energy: 342.91468188337734
Energy: 337.9736200670775
Energy: 338.04063738916
Energy: 337.9736200670775
Energy: 343.12702273019954
Energy: 337.8992334351447
Energy: 342.880875502408
Energy: 337.89923343514226
Energy: 345.8888540695689
Energy: 337.75757655711476
Energy: 342.9755115442623
Energy: 337.75757655711595
Energy: 343.05580763566564
Energy: 335.190372529109
Energy: 342.83731231899895
Energy: 335.1903725291077
Energy: 340.7702632290403
Energy: 338.0069481525576
Energy: 343.12287214634745
Energy: 338.0069481525576
Energy: 343.027622741794
Energy: 337.9344354544843
Energy: 349.25806456356537
Energy: 337.9344354544843
Energy: 340.54738285718986
Energy: 335.38555361144483
Energy: 342.9562453494039
Energy: 335.38555361144364
Energy: 338.10696190184575
Energy: 335.63637779308726
Energy: 342.8631396261669
Energy: 335.63637779308726
Energy: 337.9419383097345
Energy: 337.96019102999713
Energy: 343.1176792536486
Energy: 337.96019102999713
Energy: 343.12971523146524
Energy: 337.7198976345094
Energy: 347.90892346240315
Energy: 337.7198976345094
Energy: 342.8155586185156
Energy: 335.20304441293047
Energy: 343.1570300972441
Energy: 335.20304441293047
Energy: 343.0380463745134
Energy: 337.96993349066145
Energy: 343.07277547148624
Energy: 337.96993349066145
Energy: 342.92304163548897
Energy: 338.0096655861937
Energy: 343.05272846704344
Energy: 338.0096655861937

minimum gb energy = 335.1903725291077 eV
minimum distance =  2.29585275585297 Angstroms
sigma value = 25


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

Energy: 433.6570121484957
Energy: 437.5556039915815
Energy: 447.0721719816221
Energy: 437.5556039915815
Energy: 437.7978909964995
Energy: 435.54193920894915
Energy: 437.54089534366653
Energy: 435.54193920894915
Energy: 437.497432543811
Energy: 437.50564667227695
Energy: 443.35275024463806
Energy: 437.50564667227604
Energy: 439.5830186484531
Energy: 435.54235678832924
Energy: 437.7429038739364
Energy: 435.54235678833015
Energy: 437.56754115496176
Energy: 435.3360937126929
Energy: 441.09502869896704
Energy: 435.3360937126929
Energy: 441.35885969563583
Energy: 435.47250694063945
Energy: 437.536159902371
Energy: 435.47250694063945
Energy: 437.556691717715
Energy: 437.40955090496846
Energy: 439.1949535356084
Energy: 437.40955090496846
Energy: 443.4670948124134
Energy: 433.6319316597331
Energy: 437.50833518748186
Energy: 433.6319316597351
Energy: 437.5613206920784
Energy: 435.3243029896223
Energy: 437.41736105101984
Energy: 435.32430298962134
Energy: 441.3148132158987
Energy: 437.2498873892835
Energy: 433.656628849449
Energy: 437.2498873892844
Energy: 437.5822498474491
Energy: 437.5440927461988
Energy: 437.6216658082029
Energy: 437.5440927461988
Energy: 443.74599039553874
Energy: 433.94810947976407
Energy: 437.64275593316626
Energy: 433.9481094797651
Energy: 437.5778097048545
Energy: 435.40412748705637
Energy: 439.48786208051797
Energy: 435.40412748705637
Energy: 439.6694784097274
Energy: 436.9565114797453
Energy: 437.4885150807631
Energy: 436.9565114797472
Energy: 437.572973170716
Energy: 437.5261993828714
Energy: 441.5555761722699
Energy: 437.5261993828724
Energy: 439.38779091383543
Energy: 433.49665545729823
Energy: 437.60440797123766
Energy: 433.49665545729823
Energy: 437.5993782393883
Energy: 433.56984871113445
Energy: 443.4394969495537
Energy: 433.56984871113445
Energy: 435.72683763101037
Energy: 435.5166499878512
Energy: 437.6228379121834
Energy: 435.5166499878502
Energy: 433.7007471373379
Energy: 437.4723861590863
Energy: 441.41097970802434
Energy: 437.4723861590863
Energy: 437.53342416216736
Energy: 433.5155066002118
Energy: 437.74929169055156
Energy: 433.5155066002118
Energy: 437.5251972192622
Energy: 433.48654398462855
Energy: 445.27148051088324
Energy: 433.4865439846296
Energy: 437.6289385342689
Energy: 435.31049613658513
Energy: 437.5748378986453
Energy: 435.31049613658513
Energy: 437.58771799351956
Energy: 437.19350390896267
Energy: 439.7226159701319
Energy: 437.19350390896267
Energy: 441.4811390648725
Energy: 433.71425699391017
Energy: 437.58854225974034
Energy: 433.714256993911
Energy: 437.54146190403026
Energy: 433.4545474652054
Energy: 439.6100979576635
Energy: 433.45454746520636
Energy: 441.38644005321646
Energy: 433.54222722922793
Energy: 437.46714107922037
Energy: 433.54222722922884

minimum gb energy = 433.4545474652054 eV
minimum distance =  2.25649981326193 Angstroms
sigma value = 41


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

Energy: 533.585130489313
Energy: 533.4964931991043
Energy: 544.5079655970694
Energy: 533.4964931991043
Energy: 535.0082176156004
Energy: 534.9074930013361
Energy: 536.6458172093021
Energy: 534.9074930013361
Energy: 533.428191526197
Energy: 536.3344233262172
Energy: 541.3784673551288
Energy: 536.3344233262172
Energy: 536.887745903717
Energy: 534.821766181559
Energy: 536.5796080054688
Energy: 534.8217661815598
Energy: 536.6186576524505
Energy: 531.849706700354
Energy: 539.5110926087198
Energy: 531.849706700354
Energy: 538.3021197423375
Energy: 535.025947608462
Energy: 536.6333719121462
Energy: 535.025947608462
Energy: 536.5605102222065
Energy: 534.9581407077604
Energy: 538.3260158276038
Energy: 534.9581407077604
Energy: 540.058135095229
Energy: 533.3366403393862
Energy: 536.6439850728848
Energy: 533.3366403393854
Energy: 536.6500543053684
Energy: 533.1485613239394
Energy: 537.2969889574582
Energy: 533.1485613239402
Energy: 541.5977246169077
Energy: 536.3919240459904
Energy: 533.3697399733328
Energy: 536.3919240459912
Energy: 536.9445381449085
Energy: 534.8947938949185
Energy: 535.1485367011677
Energy: 534.8947938949185
Energy: 540.0513327516959
Energy: 533.3256842852605
Energy: 533.5785155969651
Energy: 533.3256842852605
Energy: 536.6384704451058
Energy: 533.2224469057114
Energy: 535.9545528070418
Energy: 533.2224469057122
Energy: 542.5323432066086
Energy: 532.9851398507464
Energy: 533.3693640147856
Energy: 532.9851398507464
Energy: 536.5870993616873
Energy: 534.7804921529915
Energy: 536.847058250813
Energy: 534.7804921529915
Energy: 538.6064909090076
Energy: 533.191100285399
Energy: 536.6732710724407
Energy: 533.1911002853998
Energy: 536.7148096529914
Energy: 533.9897901552699
Energy: 538.447219060577
Energy: 533.9897901552683
Energy: 538.2371018813946
Energy: 533.0114451662489
Energy: 536.7043399784543
Energy: 533.0114451662482
Energy: 536.615101661274
Energy: 533.3099790168238
Energy: 539.6994942045748
Energy: 533.3099790168286
Energy: 535.182413343624
Energy: 533.2045413548034
Energy: 536.6584294731731
Energy: 533.2045413548042
Energy: 533.3841497121801
Energy: 533.19459707995
Energy: 541.7143918969412
Energy: 533.1945970799492
Energy: 535.1642137147264
Energy: 531.4818775616538
Energy: 536.6066904519396
Energy: 531.4818775616554
Energy: 533.6246581172117
Energy: 533.3000435926824
Energy: 539.8407537232448
Energy: 533.3000435926824
Energy: 533.6480255251266
Energy: 533.1637696410743
Energy: 536.6845050578296
Energy: 533.163769641079
Energy: 533.4927961946061
Energy: 533.0817547807964
Energy: 543.2854869929481
Energy: 533.0817547807964
Energy: 536.9741060195931
Energy: 531.5249495754637
Energy: 536.6510860265224
Energy: 531.5249495754637
Energy: 536.6533195284338
Energy: 533.22458894574
Energy: 538.2325246211782
Energy: 533.224588945741
Energy: 536.6266531065556
Energy: 533.2476885254841
Energy: 536.6267402898496
Energy: 533.2476885254833
Energy: 536.6240047851305
Energy: 533.2970604704323
Energy: 538.5308837402387
Energy: 533.297060470433
Energy: 539.8296455444303
Energy: 530.1943601049745
Energy: 536.6102760228837
Energy: 530.1943601049745
Energy: 536.6579019545309
Energy: 533.0721325495545
Energy: 535.2364049321493
Energy: 533.0721325495538
Energy: 539.8974725586935
Energy: 533.3259863356402
Energy: 533.4148382115374
Energy: 533.3259863356418

minimum gb energy = 530.1943601049745 eV
minimum distance =  2.29895643610373 Angstroms
sigma value = 15


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

Energy: 630.1867775091796
Energy: 632.3354499134114
Energy: 639.5999344721405
Energy: 632.3354499134106
Energy: 632.8582152236813
Energy: 632.53081239661
Energy: 632.6512879378843
Energy: 632.5308123966082
Energy: 631.2514624710637
Energy: 632.5994118297693
Energy: 639.4968159382877
Energy: 632.59941182977
Energy: 634.1937865415423
Energy: 632.4631522386469
Energy: 632.6540383446229
Energy: 632.4631522386462
Energy: 632.7587430776289
Energy: 632.3149554652655
Energy: 637.9245822975942
Energy: 632.3149554652648
Energy: 635.5476938903827
Energy: 632.59351124469
Energy: 632.6535438879235
Energy: 632.5935112446926
Energy: 632.6728641617037
Energy: 631.2290105776027
Energy: 636.5682534120684
Energy: 631.229010577602
Energy: 636.7417777382152
Energy: 631.2403605717341
Energy: 632.6411926120334
Energy: 631.2403605717341
Energy: 632.6283243102116
Energy: 630.9079041709011
Energy: 635.4980697977871
Energy: 630.9079041709011
Energy: 638.2317980888673
Energy: 632.4936186270351
Energy: 632.6696127733869
Energy: 632.4936186270338
Energy: 632.6562793145054
Energy: 632.4906230649738
Energy: 634.0654224265107
Energy: 632.4906230649738
Energy: 639.6318583818435
Energy: 632.6613024769446
Energy: 629.9585683394031
Energy: 632.6613024769473
Energy: 632.6566328041978
Energy: 630.9644882173641
Energy: 632.9118238169339
Energy: 630.9644882173646
Energy: 638.3124272551437
Energy: 632.428466553066
Energy: 630.1754074067749
Energy: 632.428466553066
Energy: 632.64960301999
Energy: 632.5144241173509
Energy: 632.8620493133823
Energy: 632.5144241173524
Energy: 639.8412150982045
Energy: 632.70907527077
Energy: 629.9372484810924
Energy: 632.70907527077
Energy: 632.6287055480926
Energy: 631.0251669700124
Energy: 634.8237940688042
Energy: 631.0251669700117
Energy: 637.2081759474985
Energy: 632.2774576459868
Energy: 632.7351747534059
Energy: 632.277457645986
Energy: 632.664019671453
Energy: 632.5405003021962
Energy: 635.6629407309614
Energy: 632.5405003021934
Energy: 637.2401960932807
Energy: 632.6708707711228
Energy: 632.9820661031694
Energy: 632.6708707711201
Energy: 632.636432359251
Energy: 629.8333354454633
Energy: 637.6546035788366
Energy: 629.8333354454633
Energy: 634.4158087260824
Energy: 631.1517915323794
Energy: 632.7104825449651
Energy: 631.1517915323788
Energy: 632.641396191577
Energy: 632.5864170187458
Energy: 638.3715034143172
Energy: 632.5864170187464
Energy: 634.2854124318426
Energy: 632.8860907902099
Energy: 632.6606267676942
Energy: 632.8860907902099
Energy: 629.9442622822338
Energy: 629.7760176972859
Energy: 639.7530070850019
Energy: 629.7760176972864
Energy: 631.5515936249554
Energy: 630.9829608614306
Energy: 632.6757800513142
Energy: 630.9829608614306
Energy: 630.1985450364423
Energy: 632.4275918510551
Energy: 638.1490832704352
Energy: 632.4275918510551
Energy: 632.9303870002177
Energy: 632.5925464956853
Energy: 632.6476311043523
Energy: 632.5925464956853
Energy: 630.038387944361
Energy: 629.7265977316941
Energy: 641.0797574671438
Energy: 629.7265977316935
Energy: 633.0165196516468
Energy: 631.0283105057655
Energy: 632.6871671678159
Energy: 631.0283105057655
Energy: 632.9105254891156
Energy: 632.4587894836831
Energy: 637.2176377528262
Energy: 632.4587894836825
Energy: 635.5817708568001
Energy: 632.5219732706598
Energy: 632.6576058446168
Energy: 632.5219732706591
Energy: 633.0159086748872
Energy: 629.565250971743
Energy: 637.1825142168825
Energy: 629.5652509717436
Energy: 635.3662583670407
Energy: 629.7808032355324
Energy: 632.6836562298861
Energy: 629.7808032355343
Energy: 634.7111537560601
Energy: 632.2626204147093
Energy: 634.3072086195643
Energy: 632.2626204147087
Energy: 638.4627033999523
Energy: 632.6053119587554
Energy: 632.6395797492636
Energy: 632.6053119587567
Energy: 632.6659552249357
Energy: 629.5727224009905
Energy: 634.269453410886
Energy: 629.572722400992

minimum gb energy = 629.565250971743 eV
minimum distance =  2.28260488743212 Angstroms
sigma value = 85


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

Energy: 358.1063454307401
Energy: 360.0352958175183
Energy: 370.6444044680856
Energy: 360.0352958175183
Energy: 361.4113625270991
Energy: 360.1364890873845
Energy: 362.6250058033693
Energy: 360.1364890873845
Energy: 360.3834288636526
Energy: 360.1651847949879
Energy: 369.7679784297819
Energy: 360.1651847949873
Energy: 362.7648250395086
Energy: 360.13741037163896
Energy: 362.5803192760707
Energy: 360.1374103716395
Energy: 360.22598702823217
Energy: 362.51639326705924
Energy: 367.12996534961064
Energy: 362.51639326705924
Energy: 363.9455429060499
Energy: 360.10206999393694
Energy: 362.66181092283796
Energy: 360.10206999393745
Energy: 362.5620224741302
Energy: 358.97271273249874
Energy: 366.45352231265724
Energy: 358.9727127324993
Energy: 364.89535256128596
Energy: 360.14732254746383
Energy: 362.5712368536092
Energy: 360.14732254746383
Energy: 362.5877148630416
Energy: 361.3141714347231
Energy: 364.966695958589
Energy: 361.3141714347231
Energy: 366.2976481429492
Energy: 359.1867853192258
Energy: 362.5722813393907
Energy: 359.18678531922626
Energy: 362.5870023269299
Energy: 360.0961618628348
Energy: 363.7047634533917
Energy: 360.0961618628348
Energy: 367.53262007201124
Energy: 360.05930210408235
Energy: 360.367525327888
Energy: 360.0593021040817
Energy: 362.58934748777256
Energy: 361.5034339751598
Energy: 362.74919756204275
Energy: 361.5034339751592
Energy: 368.78750799388894
Energy: 360.17454328905217
Energy: 360.3789039525604
Energy: 360.17454328905217
Energy: 362.58393817826385
Energy: 360.1464307793122
Energy: 361.51691657463766
Energy: 360.1464307793122
Energy: 367.4608038969221
Energy: 360.0661908941423
Energy: 358.03981005246504
Energy: 360.0661908941429
Energy: 362.5865394528301
Energy: 361.4200351711965
Energy: 361.4955870352895
Energy: 361.42003517119485
Energy: 368.872734429942
Energy: 360.1552168335149
Energy: 360.3869054630699
Energy: 360.15521683351426
Energy: 362.58183050878046
Energy: 360.151748101659
Energy: 362.8394646290642
Energy: 360.151748101659
Energy: 366.3626788841119
Energy: 360.0239489708677
Energy: 360.3803308306228
Energy: 360.02394897086833
Energy: 362.5894719602577
Energy: 361.3174904207712
Energy: 363.94903593289376
Energy: 361.3174904207712
Energy: 366.47138373892886
Energy: 360.2995581702942
Energy: 362.5983474564457
Energy: 360.2995581702942
Energy: 362.5878720541901
Energy: 360.03514954341307
Energy: 365.11720690786325
Energy: 360.03514954341256
Energy: 363.9873195201457
Energy: 358.73152784536916
Energy: 362.56346667345133
Energy: 358.73152784537035
Energy: 362.58676893714716
Energy: 360.0772782411674
Energy: 366.27963948449514
Energy: 360.077278241168
Energy: 364.0991354986719
Energy: 360.1564866851691
Energy: 362.6195164493248
Energy: 360.15648668516974
Energy: 360.2314555903056
Energy: 360.0991878415737
Energy: 367.46183222443125
Energy: 360.0991878415737
Energy: 361.6919402530133
Energy: 358.9438285622082
Energy: 362.7926319815268
Energy: 358.9438285622088
Energy: 360.42490580650474
Energy: 360.1608470509667
Energy: 369.33426092974497
Energy: 360.1608470509667
Energy: 361.5213639822595
Energy: 360.1127069143492
Energy: 362.5163027186625
Energy: 360.1127069143492
Energy: 358.0271552215566
Energy: 360.06820563140076
Energy: 367.4118692819383
Energy: 360.0682056314019
Energy: 360.5188809329493
Energy: 358.7854894753388
Energy: 362.56696824654455
Energy: 358.78548947534
Energy: 360.40225371626804
Energy: 360.15871380634036
Energy: 368.75145163095084
Energy: 360.15871380634036
Energy: 362.60328884543156
Energy: 360.10769773280185
Energy: 362.55861385972156
Energy: 360.10769773280185
Energy: 360.38829289024955
Energy: 359.9884056378206
Energy: 366.34807018691123
Energy: 359.9884056378206
Energy: 362.7682538255477
Energy: 358.94111570818484
Energy: 362.56725169005114
Energy: 358.94111570818484
Energy: 362.5839025804928
Energy: 360.1333488348056
Energy: 366.38391715099107
Energy: 360.1333488348056
Energy: 365.15204817040416
Energy: 360.01650864213815
Energy: 362.5767523355702
Energy: 360.0165086421393
Energy: 362.58821106287945
Energy: 360.02993099418114
Energy: 364.0277720781419
Energy: 360.0299309941817
Energy: 365.046961862252
Energy: 357.7564736938769
Energy: 362.6172871828028
Energy: 357.7564736938769
Energy: 362.6947238142499
Energy: 360.1637135792053
Energy: 364.0306834590391
Energy: 360.1637135792053
Energy: 367.4647978608529
Energy: 360.1086770166047
Energy: 360.58774329945794
Energy: 360.10867701660516
Energy: 362.5964546155397
Energy: 360.02825600230176
Energy: 361.75523555008186
Energy: 360.02825600230125

minimum gb energy = 357.7564736938769 eV
minimum distance =  2.27539354122125 Angstroms
sigma value = 113


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

Energy: 392.87768924188117
Energy: 392.8794638187799
Energy: 400.44236051317097
Energy: 392.8794638187799
Energy: 392.46713842402926
Energy: 376.366128806347
Energy: 375.6394706928015
Energy: 376.36612880634783
Energy: 392.87768924188066
Energy: 392.8794638187804
Energy: 400.44236051317137
Energy: 392.8794638187804
Energy: 392.4671384240262
Energy: 376.3661288063475
Energy: 375.639470692801
Energy: 376.36612880634783
Energy: 392.87768924188117
Energy: 392.87946381877947
Energy: 400.44236051317097
Energy: 392.8794638187799
Energy: 392.46713842402926
Energy: 376.3661288063475
Energy: 375.6394706928015
Energy: 376.366128806347

minimum gb energy = 375.639470692801 eV
minimum distance =  2.53352188363965 Angstroms
sigma value = 1