Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 392.8762134782948
Energy: 375.139404023248
Energy: 375.139404023248
Energy: 392.8762134782948
Energy: 375.139404023248
Energy: 375.139404023248
Energy: 392.8762134782934
Energy: 375.139404023248
Energy: 375.139404023248
Energy: 392.8762134782934
Energy: 376.4073668943197
Energy: 393.17162126303
Energy: 375.1400618019018
Energy: 376.4073668943197
Energy: 393.17162126303
Energy: 375.1400618019018
Energy: 376.4073668943197
Energy: 393.17162126303
Energy: 375.1400618019033
Energy: 376.4073668943197
Energy: 408.9919882710829
Energy: 390.6883697143026
Energy: 388.0145707085837
Energy: 406.79529510383554
Energy: 393.6191359470267
Energy: 384.9538886738931
Energy: 404.77519368994865
Energy: 393.6191359470267
Energy: 384.9538886738931
Energy: 402.57082857243176
Energy: 376.4073668943197
Energy: 375.1400618019018
Energy: 393.17162126303
Energy: 376.4073668943197
Energy: 375.1400618019018
Energy: 393.17162126303
Energy: 376.4073668943197
Energy: 375.1400618019018
Energy: 393.17162126303
Energy: 376.4073668943197
Energy: 392.8762134782948
Energy: 375.139404023248
Energy: 375.139404023248
Energy: 392.8762134782948
Energy: 375.139404023248
Energy: 375.139404023248
Energy: 392.8762134782934
Energy: 375.139404023248
Energy: 375.139404023248
Energy: 392.8762134782934
Energy: 376.4073668943197
Energy: 393.17162126303
Energy: 375.1400618019033
Energy: 376.4073668943197
Energy: 393.17162126303
Energy: 375.1400618019018
Energy: 376.4073668943197
Energy: 393.17162126302856
Energy: 375.1400618019018
Energy: 376.4073668943197
Energy: 400.4599826817599
Energy: 393.6191359470267
Energy: 384.9538886738931
Energy: 400.4599826817599
Energy: 393.6191359470267
Energy: 384.9538886738931
Energy: 400.4599826817599
Energy: 393.6191359470267
Energy: 384.9538886738931
Energy: 400.4599826817599

minimum gb energy = 375.139404023248 eV
minimum distance =  2.21207881961246 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 591.2929269039406
Energy: 592.2795400535688
Energy: 591.3896629029235
Energy: 591.2929269039348
Energy: 592.279540053565
Energy: 590.3921303005087
Energy: 591.2929269039365
Energy: 592.2795400535682
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Energy: 595.7430761348492
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Energy: 595.7430761348477
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Energy: 591.6948430164188
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Energy: 597.0574250377117
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Energy: 594.898614266074
Energy: 594.676523206038
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Energy: 591.939771015711
Energy: 592.2438664540765
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Energy: 591.9397710157137
Energy: 592.2438664540765
Energy: 592.4040681962412
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Energy: 592.2438664540789
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Energy: 596.4321869338398
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Energy: 595.7457947900062
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Energy: 595.471586351323
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Energy: 592.5633307100935
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Energy: 591.3576648985402
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Energy: 595.1637087412767
Energy: 591.3576648985419
Energy: 592.5633307100952
Energy: 595.1637087412753
Energy: 591.3576648985417
Energy: 592.5633307100962
Energy: 590.1783983045042
Energy: 592.0824561116024
Energy: 591.2419696895461
Energy: 590.994811623313
Energy: 592.0824561116021
Energy: 591.2419696895496
Energy: 590.1783983044983
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Energy: 591.2419696895493
Energy: 590.9948116233138
Energy: 597.962510841338
Energy: 595.8018703107018
Energy: 598.0313858038919
Energy: 597.9625108413356
Energy: 595.8018703107008
Energy: 598.0313858038899
Energy: 597.9625108413336
Energy: 595.8018703106998
Energy: 598.0313858038895
Energy: 597.962510841337
Energy: 590.5878289644145
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Energy: 591.626390301617
Energy: 590.5878289644133
Energy: 592.2020081052508
Energy: 591.6263903016174
Energy: 590.5878289644154
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Energy: 591.626390301615
Energy: 590.5878289644154
Energy: 591.7054684177713
Energy: 593.0153010834197
Energy: 591.65154756022
Energy: 591.7054684177738
Energy: 593.3913696062427
Energy: 591.6515475602225
Energy: 591.7054684177721
Energy: 593.0153010834221
Energy: 591.6515475602207
Energy: 591.7054684177713
Energy: 597.5613795051307
Energy: 596.8635114368673
Energy: 596.9499487568704
Energy: 597.5613795051319
Energy: 596.9160436347998
Energy: 597.0969894175811
Energy: 597.5613795051329
Energy: 596.8635114368692
Energy: 596.9499487568667
Energy: 597.5613795051305
Energy: 592.2499310807259
Energy: 591.7425203774219
Energy: 590.6588929529911
Energy: 592.2499310807259
Energy: 591.742520377425
Energy: 590.6588929529883
Energy: 592.2499310807277
Energy: 591.7425203774247
Energy: 590.6588929529879
Energy: 592.2499310807267
Energy: 597.9893284617825
Energy: 596.8205562649096
Energy: 594.0646061032048
Energy: 597.9893284617843
Energy: 596.8205562649085
Energy: 594.0646061032048
Energy: 597.9893284617859
Energy: 596.8205562649096
Energy: 594.0646061032041
Energy: 597.9893284617847
Energy: 592.9369886958486
Energy: 596.3870155069343
Energy: 595.9542309121149
Energy: 592.9369886958414
Energy: 596.3870155069346
Energy: 595.9643320433206
Energy: 592.9369886958468
Energy: 596.3870155069363
Energy: 595.9542309121143
Energy: 592.9369886958478
Energy: 591.3705169615746
Energy: 591.2929269039404
Energy: 592.2795400535678
Energy: 591.3675916993739
Energy: 591.2929269039358
Energy: 592.2795400535654
Energy: 591.3705169615769
Energy: 591.2929269039358
Energy: 592.2795400535682
Energy: 591.3675916993744
Energy: 594.8224942632834
Energy: 595.7430761348495
Energy: 596.4348716451731
Energy: 594.8224942632808
Energy: 595.7430761348473
Energy: 596.4348716451738
Energy: 594.8224942632808
Energy: 595.7430761348498
Energy: 596.4348716451741
Energy: 594.8224942632784
Energy: 600.002894993301
Energy: 592.6872372994716
Energy: 596.6423170248111
Energy: 599.331936254729
Energy: 592.6872372994744
Energy: 596.6423170248114
Energy: 600.002894993303
Energy: 592.6872372994718
Energy: 596.6423170248153
Energy: 599.3319362547294
Energy: 591.8940888280383
Energy: 591.1652986152836
Energy: 591.6948430164182
Energy: 591.8940888280391
Energy: 591.1652986152819
Energy: 591.6948430164193
Energy: 591.8940888280391
Energy: 591.1652986152775
Energy: 591.6948430164199
Energy: 591.8940888280376

minimum gb energy = 590.1783983044983 eV
minimum distance =  2.36321614020578 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 401.4661770668016
Energy: 403.7389621287937
Energy: 404.14584539139366
Energy: 402.62604723659837
Energy: 403.7389621287937
Energy: 404.145845391392
Energy: 401.4661770668051
Energy: 403.7389621287919
Energy: 404.1458453913903
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Energy: 403.36680459921536
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Energy: 408.53114350524214
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Energy: 403.5531792498583
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minimum gb energy = 398.69281190242697 eV
minimum distance =  2.29171593912244 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 355.25172421807423
Energy: 356.0695431515207
Energy: 356.4187827790177
Energy: 355.2517242180802
Energy: 356.0695431515197
Energy: 356.4187827790198
Energy: 355.25172421808276
Energy: 356.06954315152757
Energy: 356.418782779017
Energy: 358.3546523780283
Energy: 355.10375681311814
Energy: 357.64567917896454
Energy: 358.35465237802583
Energy: 355.10375681312
Energy: 357.64567917896335
Energy: 358.3546523780265
Energy: 355.10375681312206
Energy: 357.6456791789655
Energy: 358.3546523780285
Energy: 356.4664477853607
Energy: 353.41927798842283
Energy: 356.11189637526223
Energy: 356.4664477853581
Energy: 353.5369707391819
Energy: 356.111896375259
Energy: 356.46644778535546
Energy: 353.4192779884237
Energy: 356.5419218808442
Energy: 356.4664477853623
Energy: 358.05495420373614
Energy: 356.46032629777693
Energy: 357.69788706785073
Energy: 358.05495420373484
Energy: 356.4603262977765
Energy: 357.69788706785096
Energy: 358.05495420373484
Energy: 356.4603262977788
Energy: 357.69788706785323
Energy: 358.0549542037352
Energy: 358.00804264876473
Energy: 355.4948144926845
Energy: 355.1223657966118
Energy: 358.0080426487673
Energy: 355.49481449268495
Energy: 355.12236579661163
Energy: 358.0080426487651
Energy: 355.49481449268563
Energy: 355.12236579661106
Energy: 358.0080426487651
Energy: 358.00832569724923
Energy: 356.50786600368355
Energy: 356.2189690965569
Energy: 358.00832569724906
Energy: 356.50786600368326
Energy: 356.2189690965558
Energy: 358.00832569724923
Energy: 356.5078660036843
Energy: 356.21896909655635
Energy: 358.0083256972498
Energy: 356.93979485101573
Energy: 357.7020372758118
Energy: 356.8307552751716
Energy: 356.9397948510161
Energy: 357.53955870786365
Energy: 356.8307552751716
Energy: 356.9397948510148
Energy: 357.7020372758115
Energy: 356.8307552751726
Energy: 356.9397948510169
Energy: 359.41980946680536
Energy: 357.41855463801943
Energy: 354.2342772031077
Energy: 359.41980946680536
Energy: 357.5898806482661
Energy: 354.2342772031085
Energy: 359.41980946680326
Energy: 357.41855463802057
Energy: 354.2342772031098
Energy: 359.4198094668048
Energy: 357.6654123870224
Energy: 357.10104934860215
Energy: 355.68455976205934
Energy: 357.6654123870226
Energy: 357.10104934860084
Energy: 355.68455976205837
Energy: 357.66541238702206
Energy: 357.1010493486005
Energy: 355.68455976205763
Energy: 357.6654123870224
Energy: 357.17771513249346
Energy: 356.81256408497774
Energy: 357.22552321921387
Energy: 357.17771513249335
Energy: 356.7984704795505
Energy: 357.22552321921165
Energy: 357.17771513249215
Energy: 356.8125640849744
Energy: 357.2255232192123
Energy: 357.1777151324927
Energy: 356.91799758295656
Energy: 357.6418592177757
Energy: 354.9577999743731
Energy: 356.9179975829573
Energy: 357.655701252563
Energy: 354.9577999743725
Energy: 356.9179975829581
Energy: 357.6418592177762
Energy: 354.95779997437404
Energy: 356.91799758295787
Energy: 355.0547174747499
Energy: 357.51744189941036
Energy: 354.97348589917084
Energy: 355.0547174747482
Energy: 357.575587202113
Energy: 354.9734858991763
Energy: 355.0547174747499
Energy: 357.517441899407
Energy: 354.97348589915913
Energy: 355.05471747474974

minimum gb energy = 353.19065322023386 eV
minimum distance =  2.30708038772268 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 467.07448523606223
Energy: 467.572117307998
Energy: 467.4545086785759
Energy: 467.8023036542322
Energy: 467.5721173079967
Energy: 467.4545086785759
Energy: 467.0744852360636
Energy: 467.57211730799474
Energy: 467.4545086785754
Energy: 467.80230365423154
Energy: 466.523297219742
Energy: 467.74567735020366
Energy: 466.1382158482002
Energy: 466.5232972197433
Energy: 467.745677350205
Energy: 466.1382158481982
Energy: 466.52329721974394
Energy: 467.74567735020634
Energy: 466.13821584819954
Energy: 466.52329721974263
Energy: 469.81446415740294
Energy: 469.8793224807391
Energy: 472.2345414844853
Energy: 469.81446415740373
Energy: 469.87932248073986
Energy: 472.228745925689
Energy: 469.81446415740294
Energy: 469.87932248073986
Energy: 472.23454148448604
Energy: 469.81446415740294
Energy: 467.576786347694
Energy: 467.93702663696735
Energy: 467.73328233182235
Energy: 467.5767863476933
Energy: 467.93702663696735
Energy: 467.73328233182235
Energy: 467.57678634769263
Energy: 467.93702663696735
Energy: 467.7332823318243
Energy: 467.5767863476933
Energy: 471.9744940046059
Energy: 471.9309190253709
Energy: 473.1192080860722
Energy: 471.9744940046072
Energy: 471.9309190253695
Energy: 473.11920808607084
Energy: 471.97449400460783
Energy: 471.9309190253695
Energy: 473.11920808607084
Energy: 471.9744940046065
Energy: 467.9602815418957
Energy: 464.82380387225965
Energy: 467.6275770926559
Energy: 467.9602815418938
Energy: 464.82380387225965
Energy: 467.6275770926539
Energy: 467.9602815418951
Energy: 464.8238038722604
Energy: 467.6275770926539
Energy: 467.96028154189645
Energy: 467.0431954258103
Energy: 471.959224726683
Energy: 467.504169935365
Energy: 467.04319542580964
Energy: 471.95922472668235
Energy: 467.5041699353643
Energy: 467.04319542580964
Energy: 471.95922472668235
Energy: 467.5041699353656
Energy: 467.0431954258117
Energy: 466.44770029742307
Energy: 467.82372342614786
Energy: 468.0124469159491
Energy: 466.44770029742364
Energy: 467.8237234261486
Energy: 468.01244691593973
Energy: 466.4477002974244
Energy: 467.8237234261486
Energy: 468.0124469159458
Energy: 466.4477002974244
Energy: 467.2924401543678
Energy: 467.4981822319707
Energy: 471.52312848250637
Energy: 467.2924401543678
Energy: 467.49818223197
Energy: 471.7291894415295
Energy: 467.2924401543658
Energy: 467.49818223197
Energy: 471.52312848250904
Energy: 467.29244015436717
Energy: 467.2437658606629
Energy: 467.61370365130625
Energy: 465.53560288050755
Energy: 467.9683184276544
Energy: 467.6137036513069
Energy: 465.535602880507
Energy: 467.2437658606616
Energy: 467.6137036513069
Energy: 465.5356028805083
Energy: 467.9683184276544
Energy: 471.6685563832984
Energy: 472.78890996081776
Energy: 474.26347243788877
Energy: 472.61266425957746
Energy: 472.78890996081645
Energy: 473.540751622993
Energy: 471.66855638329776
Energy: 472.78890996081446
Energy: 474.26347243788814
Energy: 472.61266425957746
Energy: 467.1088432272353
Energy: 467.7444110194091
Energy: 467.64791015854763
Energy: 467.1088432272347
Energy: 467.74441101940846
Energy: 467.64791015854826
Energy: 467.1088432272347
Energy: 467.7444110194091
Energy: 467.6479101585469
Energy: 467.1088432272347
Energy: 469.1884084346541
Energy: 472.3777643031386
Energy: 470.50445771770796
Energy: 469.1884084346541
Energy: 472.37776430313926
Energy: 470.5044577177066
Energy: 469.18840843465347
Energy: 472.3777643031366
Energy: 470.50445771770796
Energy: 469.1884084346528
Energy: 467.91060819017997
Energy: 465.0368866935063
Energy: 467.753862437704
Energy: 467.9106081901819
Energy: 465.03688669350566
Energy: 467.7538624377045
Energy: 467.91060819018264
Energy: 465.03688669350566
Energy: 467.7538624377067
Energy: 467.9106081901813
Energy: 467.80230365423284
Energy: 467.572117307998
Energy: 467.4545086785767
Energy: 467.80230365423154
Energy: 467.5721173079967
Energy: 467.4545086785767
Energy: 467.80230365423284
Energy: 467.57211730799474
Energy: 467.4545086785754
Energy: 467.8023036542309

minimum gb energy = 464.82380387225965 eV
minimum distance =  2.34225146968079 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 537.3544610719009
Energy: 538.1042078643336
Energy: 538.1560465259607
Energy: 537.7223733542472
Energy: 538.104207864331
Energy: 538.1560465259635
Energy: 537.3544610719035
Energy: 538.104207864331
Energy: 538.1560465259635
Energy: 537.7223733542472
Energy: 537.7115479019325
Energy: 541.3777802603871
Energy: 537.7943326793629
Energy: 537.7115479019766
Energy: 541.3777802603897
Energy: 537.7943326793655
Energy: 537.7115479018728
Energy: 541.3777802603897
Energy: 537.7943326793577
Energy: 537.7115479018648
Energy: 539.7623504642755
Energy: 541.3202475292666
Energy: 539.4234064706716
Energy: 540.2110745574814
Energy: 541.3202475292638
Energy: 539.1388825933853
Energy: 540.0462271972494
Energy: 541.3202475292613
Energy: 538.9566442863312
Energy: 540.2726030385919
Energy: 538.8937503479373
Energy: 538.8310268365941
Energy: 540.3583416977376
Energy: 538.8937503479373
Energy: 538.8310268365915
Energy: 540.3599644661637
Energy: 538.8937503479399
Energy: 538.8310268365863
Energy: 540.358341697735
Energy: 538.8937503479373
Energy: 538.1582040836812
Energy: 543.8853810818566
Energy: 540.3839790340525
Energy: 538.1582040836812
Energy: 543.8853810818566
Energy: 540.4020445883219
Energy: 538.1582040836812
Energy: 543.8853810818591
Energy: 540.3839790340498
Energy: 538.1582040836812
Energy: 540.3589928679454
Energy: 537.2723230854186
Energy: 536.5861816441289
Energy: 540.3589928679454
Energy: 537.272323085416
Energy: 536.586181644121
Energy: 540.3589928679507
Energy: 537.272323085416
Energy: 536.5861816441237
Energy: 540.3589928679507
Energy: 540.5723155104278
Energy: 541.5546150646198
Energy: 536.552532726467
Energy: 540.5723155104251
Energy: 541.5546150646225
Energy: 536.552532726467
Energy: 540.5723155104251
Energy: 541.5546150646198
Energy: 536.5525327264644
Energy: 540.5723155104251
Energy: 538.1503957303695
Energy: 543.0137466059774
Energy: 538.2464512668877
Energy: 538.1503957303668
Energy: 543.0384997586572
Energy: 538.2464512668877
Energy: 538.1503957303668
Energy: 543.0137466059801
Energy: 538.246451266885
Energy: 538.1503957303695
Energy: 536.5774671475674
Energy: 536.597237173073
Energy: 538.0624577813836
Energy: 536.5774671475648
Energy: 536.5972371730755
Energy: 537.8001721507235
Energy: 536.5774671475648
Energy: 536.597237173073
Energy: 538.0624577813836
Energy: 536.5774671475648
Energy: 541.3020147821227
Energy: 542.839396854225
Energy: 537.6057684041682
Energy: 541.3020147821253
Energy: 542.5404334600468
Energy: 537.3703807829246
Energy: 541.3020147821253
Energy: 542.8393968542224
Energy: 537.6057684041629
Energy: 541.3020147821279
Energy: 541.3827330979913
Energy: 537.4276691567009
Energy: 537.346917959573
Energy: 541.3827330979886
Energy: 537.2949599040145
Energy: 537.3291638892897
Energy: 541.3827330979886
Energy: 537.4276691566982
Energy: 537.3469179595679
Energy: 541.3827330979859
Energy: 541.3087427087481
Energy: 538.7386768889002
Energy: 538.7265384214446
Energy: 541.308742708743
Energy: 538.7298145593888
Energy: 538.7265384214446
Energy: 541.308742708743
Energy: 538.7386768889002
Energy: 538.7265384214446
Energy: 541.3087427087457
Energy: 537.7474059595805
Energy: 540.7486403260293
Energy: 536.5861431448886
Energy: 537.747405959583
Energy: 540.3898742828219
Energy: 536.5861431448911
Energy: 537.747405959583
Energy: 540.7486403260293
Energy: 536.5861431448886
Energy: 537.747405959583
Energy: 538.17874062553
Energy: 538.2895397274759
Energy: 540.2053574922827
Energy: 538.17874062553
Energy: 538.2895397274812
Energy: 540.2053574922853
Energy: 538.1787406255327
Energy: 538.2895397274785
Energy: 540.2053574922904
Energy: 538.1787406255327
Energy: 541.3360610106706
Energy: 536.5526278483605
Energy: 540.5243521167058
Energy: 541.3360610106706
Energy: 536.5526278483632
Energy: 540.5243521167058
Energy: 541.3360610106731
Energy: 536.5526278483632
Energy: 540.5243521167085
Energy: 541.3360610106757
Energy: 541.374238209718
Energy: 535.2357770856373
Energy: 535.7195528635161
Energy: 541.374238209718
Energy: 535.2357770856373
Energy: 535.7195528635135
Energy: 541.3742382097206
Energy: 535.2357770856373
Energy: 535.7195528635161
Energy: 541.3742382097206
Energy: 538.3477158011298
Energy: 537.4982191900998
Energy: 540.3905589607839
Energy: 538.3477158011298
Energy: 537.7213980576985
Energy: 540.3905589607839
Energy: 538.3477158011323
Energy: 537.4982191901024
Energy: 540.3905589607839
Energy: 538.3477158011323
Energy: 541.629849406122
Energy: 537.5421381477598
Energy: 540.036055130781
Energy: 541.9468643913884
Energy: 537.825891538098
Energy: 540.036055130781
Energy: 541.6298494061245
Energy: 537.5421381477598
Energy: 540.036055130781
Energy: 541.9468643913884
Energy: 537.0735182858882
Energy: 536.8247575955697
Energy: 541.2731919464459
Energy: 537.0735182858908
Energy: 537.4552538539415
Energy: 541.2731919464459
Energy: 537.0735182858908
Energy: 537.4552538539441
Energy: 541.2731919464431
Energy: 537.0735182858882
Energy: 540.3626964441936
Energy: 535.630556439102
Energy: 541.4474000994743
Energy: 540.3565366670497
Energy: 535.6305564391073
Energy: 541.4474000994794
Energy: 540.3626964441936
Energy: 535.6305564391047
Energy: 541.4474000994768
Energy: 540.3565366670522
Energy: 540.1640062055752
Energy: 538.1082505498247
Energy: 538.1976719679866
Energy: 540.1114452903771
Energy: 538.10825054983
Energy: 538.1976719679866
Energy: 540.1640062055752
Energy: 538.10825054983
Energy: 538.1976719679893
Energy: 540.1114452903771
Energy: 535.5461199234683
Energy: 540.3781791573443
Energy: 536.7368093071125
Energy: 535.5461199234683
Energy: 540.3781791573443
Energy: 536.7368093071071
Energy: 535.5461199234709
Energy: 540.3781791573443
Energy: 536.7368093071125
Energy: 535.5461199234658
Energy: 541.4850952303486
Energy: 538.6720826310587
Energy: 541.053477051392
Energy: 541.4850952303486
Energy: 538.6720826310564
Energy: 540.616901902063
Energy: 541.4850952303486
Energy: 538.6720826310587
Energy: 540.9128752661508
Energy: 541.4850952303486
Energy: 537.4932951552939
Energy: 537.3419422833534
Energy: 541.4753778161108
Energy: 537.4932951552939
Energy: 537.3419422833559
Energy: 541.4753778161108
Energy: 537.4932951552914
Energy: 537.3419422833534
Energy: 541.4753778161083
Energy: 537.4932951552914
Energy: 537.0578083505841
Energy: 542.2332525165731
Energy: 541.315068124731
Energy: 537.0578083505867
Energy: 542.2332525165731
Energy: 541.3150681247287
Energy: 537.0578083505816
Energy: 542.2332525165731
Energy: 541.3150681247287
Energy: 537.0578083505816
Energy: 537.5259063644082
Energy: 536.9725574320536
Energy: 536.6533235267283
Energy: 538.026804561849
Energy: 536.9725574320486
Energy: 536.6533235267257
Energy: 537.5259063644082
Energy: 536.9725574320486
Energy: 536.6533235267257
Energy: 538.0268045618542
Energy: 537.3398112424074
Energy: 541.1973890860577
Energy: 537.7115244582052
Energy: 537.3398112424074
Energy: 541.1973890860577
Energy: 537.7115244582078
Energy: 537.33981124241
Energy: 541.1973890860604
Energy: 537.7115244582078
Energy: 537.3398112424074
Energy: 538.0576129401586
Energy: 542.9016077242817
Energy: 540.3521196679216
Energy: 538.0576129401612
Energy: 542.9016077242844
Energy: 540.3543466029774
Energy: 538.0576129401586
Energy: 542.9016077242844
Energy: 540.3521196679216
Energy: 538.0576129401586
Energy: 535.6641118099081
Energy: 536.315625988487
Energy: 540.4302114524696
Energy: 535.6641118099081
Energy: 536.3156259884845
Energy: 540.3692085402539
Energy: 535.6641118099055
Energy: 536.315625988487
Energy: 540.4302114524644
Energy: 535.6641118099081
Energy: 540.3969565527154
Energy: 543.0923637581955
Energy: 538.2365069734835
Energy: 540.3969565527204
Energy: 543.0923637581927
Energy: 538.2365069734808
Energy: 540.3969565527204
Energy: 543.0923637581927
Energy: 538.2365069734808
Energy: 540.3969565527204
Energy: 540.2933508226873
Energy: 540.0750628287894
Energy: 539.7880472089538
Energy: 540.2933508226898
Energy: 540.0750628287919
Energy: 539.7880472089563
Energy: 540.2933508226873
Energy: 540.0750628287919
Energy: 539.7880472089538
Energy: 540.2933508226873
Energy: 540.26260247999
Energy: 540.6315273532565
Energy: 538.3862002994273
Energy: 540.2626024799926
Energy: 540.6315273532565
Energy: 538.3862002994299
Energy: 540.2626024799926
Energy: 540.6315273532591
Energy: 538.3862002994324
Energy: 540.2626024799926
Energy: 536.5633622348157
Energy: 541.36415026837
Energy: 538.325680512794
Energy: 536.5633622348157
Energy: 541.3641502683676
Energy: 538.3256805127965
Energy: 536.5633622348131
Energy: 541.36415026837
Energy: 538.3256805127965
Energy: 536.5633622348131
Energy: 538.0508870303864
Energy: 538.2092330488769
Energy: 537.8893850663741
Energy: 538.0508870303864
Energy: 538.2092330488744
Energy: 537.6712020047818
Energy: 538.0508870303864
Energy: 538.2092330488794
Energy: 537.8893850663741
Energy: 538.0508870303889
Energy: 541.3042222643679
Energy: 539.7477856155706
Energy: 539.3678385833797
Energy: 541.3042222643679
Energy: 539.8016267666374
Energy: 539.0577556357174
Energy: 541.3042222643627
Energy: 539.7477856155732
Energy: 539.3678385833823
Energy: 541.3042222643653
Energy: 541.4252920933612
Energy: 537.3531039979771
Energy: 537.3791057095727
Energy: 541.4252920933612
Energy: 537.3426782574599
Energy: 537.5029186324086
Energy: 541.4252920933585
Energy: 537.3531039979798
Energy: 537.3791057095754
Energy: 541.4252920933585
Energy: 538.42905833204
Energy: 540.3768609752129
Energy: 538.8669436834232
Energy: 538.4290583320425
Energy: 540.5997948412432
Energy: 538.8669436834232
Energy: 538.42905833204
Energy: 540.3768609752155
Energy: 538.8669436834206
Energy: 538.4290583320451
Energy: 543.8512592504175
Energy: 540.3572175414121
Energy: 540.8567010318864
Energy: 543.8512592504175
Energy: 540.3614522779301
Energy: 540.8567010318837
Energy: 543.8512592504175
Energy: 540.3572175414121
Energy: 540.8567010318864
Energy: 543.85125925042
Energy: 537.3299507685123
Energy: 536.5633016809145
Energy: 540.4173097731798
Energy: 537.3299507685147
Energy: 536.8000769368044
Energy: 540.4173097731798
Energy: 537.2272836918223
Energy: 537.5578941981856
Energy: 540.4173097731774
Energy: 537.2272836918249

minimum gb energy = 535.2357770856373 eV
minimum distance =  2.29600612710111 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 459.29848616689475
Energy: 446.60381197769544
Energy: 447.1234725081485
Energy: 460.70800359813626
Energy: 446.60381197769544
Energy: 447.12347250814724
Energy: 459.2984861668935
Energy: 446.60381197769607
Energy: 447.12347250814696
Energy: 460.70800359813586
Energy: 459.5160960124838
Energy: 446.6650991127472
Energy: 455.80452604685837
Energy: 460.4975995811566
Energy: 446.6650991127475
Energy: 455.446033582817
Energy: 459.5160960124838
Energy: 446.6650991127475
Energy: 455.80452604685905
Energy: 460.4975995811553
Energy: 461.38126766989495
Energy: 446.73952502638144
Energy: 461.17913943260464
Energy: 461.7177277033819
Energy: 446.7395250263806
Energy: 460.89136295215286
Energy: 461.38126766989586
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minimum gb energy = 445.0897527106031 eV
minimum distance =  2.37905148543484 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

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Energy: 411.6834237521862
Energy: 412.62278853543035
Energy: 414.7381909325776
Energy: 411.6834237521879
Energy: 412.62278853543035
Energy: 414.7381909325776
Energy: 411.6834237521862
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Energy: 411.6834237521879
Energy: 412.8428783381593
Energy: 413.1636009684519
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Energy: 411.5613900283947
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Energy: 409.70629725955985
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Energy: 411.39364128410324
Energy: 409.7062972595582
Energy: 411.5613900283947
Energy: 411.39364128410324
Energy: 409.7062972595582
Energy: 411.5613900283947
Energy: 410.8444126693464
Energy: 414.39638338548025
Energy: 410.6123616055812
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Energy: 414.39638338548025
Energy: 410.6123616055812
Energy: 410.8444126693464
Energy: 414.39638338548025
Energy: 410.6123616055812
Energy: 410.8444126693464
Energy: 415.7069478770112
Energy: 413.1796720780221
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Energy: 415.7069478770112
Energy: 413.1796720780221
Energy: 413.26283642557297
Energy: 415.7069478770112
Energy: 413.1796720780221
Energy: 413.26283642557297
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Energy: 414.3808769840169
Energy: 413.74175978546793
Energy: 413.3390103344738
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Energy: 413.71348473624585
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Energy: 413.71348473624585
Energy: 412.2829005948373
Energy: 410.65651427271905
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Energy: 410.65651427271905
Energy: 410.7133541890245
Energy: 412.2829005948373
Energy: 410.6565142727207
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Energy: 412.2829005948373
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Energy: 411.84697856225006
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Energy: 413.3755161104767
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Energy: 411.73074397614255
Energy: 411.6828781659559
Energy: 412.97845777573673
Energy: 411.73074397614255
Energy: 411.6828781659559
Energy: 412.97845777573673
Energy: 411.73074397614255
Energy: 411.68287816595756
Energy: 412.97845777573673
Energy: 411.73074397614255
Energy: 413.36535821364697
Energy: 409.6903939184159
Energy: 410.61258378534046
Energy: 413.36535821364527
Energy: 409.6903939184142
Energy: 410.6125837853421
Energy: 413.36535821364697
Energy: 409.6903939184159
Energy: 410.61258378534046
Energy: 413.36535821364527
Energy: 414.7348844768894
Energy: 412.7249292299986
Energy: 413.07193251577684
Energy: 414.73488447688766
Energy: 412.7249292299986
Energy: 413.0719325157752
Energy: 414.7348844768894
Energy: 412.7249292299986
Energy: 413.07193251577684
Energy: 414.7348844768894
Energy: 413.4173560524073
Energy: 411.03823980310403
Energy: 414.743340347817
Energy: 413.4173560524073
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Energy: 414.7433403478187
Energy: 413.4173560524073
Energy: 411.0382398031024
Energy: 414.7433403478187
Energy: 413.4173560524073
Energy: 411.7890779654688
Energy: 411.29824598967076
Energy: 410.9687938127261
Energy: 411.789077965467
Energy: 411.29824598967076
Energy: 410.9687938127261
Energy: 411.789077965467
Energy: 411.29824598967076
Energy: 410.9687938127261
Energy: 411.7890779654688
Energy: 410.7021949891697
Energy: 411.5273911790909
Energy: 413.5673953740785
Energy: 410.7021949891714
Energy: 411.5273911790909
Energy: 413.5673953740785
Energy: 410.7021949891697
Energy: 411.5273911790909
Energy: 413.5673953740785
Energy: 410.7021949891697
Energy: 410.6413143764072
Energy: 410.80974782105943
Energy: 412.4890809127669
Energy: 410.6413143764072
Energy: 410.80974782105943
Energy: 412.4890809127669
Energy: 410.6413143764072
Energy: 410.80974782105943
Energy: 412.4890809127669
Energy: 410.6413143764072
Energy: 413.35643500440784
Energy: 415.63880268685705
Energy: 413.1799071138711
Energy: 413.35643500440784
Energy: 415.63880268685705
Energy: 413.1799071138711
Energy: 413.3564350044062
Energy: 415.63880268685705
Energy: 413.1799071138711
Energy: 413.35643500440784

minimum gb energy = 408.5918409521605 eV
minimum distance =  2.33924361003541 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 372.863706791169
Energy: 372.4125131572736
Energy: 372.2029145348293
Energy: 372.86370679117016
Energy: 372.4125131572736
Energy: 372.2029145348293
Energy: 372.86370679117016
Energy: 372.4125131572736
Energy: 372.2029145348293
Energy: 372.863706791169
Energy: 373.38820921290727
Energy: 376.8255229839515
Energy: 372.6153505500409
Energy: 373.38820921290727
Energy: 376.8255229839515
Energy: 372.6153505500398
Energy: 373.38820921290727
Energy: 376.8255229839515
Energy: 372.6153505500409
Energy: 373.3882092129084
Energy: 376.23028038937287
Energy: 373.2756982188373
Energy: 376.05131537591166
Energy: 375.64004485755873
Energy: 373.2756982188373
Energy: 374.714681913655
Energy: 375.64004485755873
Energy: 373.2756982188373
Energy: 374.714681913655
Energy: 375.6400448575576
Energy: 372.979908043211
Energy: 376.3919367918877
Energy: 370.1981674009638
Energy: 372.979908043211
Energy: 376.3919367918877
Energy: 370.19816740096496
Energy: 372.979908043211
Energy: 376.3919367918877
Energy: 370.1981674009638
Energy: 372.979908043211
Energy: 372.61989426305195
Energy: 372.0231870063079
Energy: 376.1081446906361
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Energy: 372.0231870063079
Energy: 376.10814469063723
Energy: 372.61989426305195
Energy: 372.0231870063079
Energy: 376.10814469063723
Energy: 372.61989426305195
Energy: 376.88023195750566
Energy: 372.6779952951743
Energy: 373.40789083627715
Energy: 376.88023195750566
Energy: 372.6779952951743
Energy: 373.4078908362783
Energy: 376.88023195750566
Energy: 372.67799529517544
Energy: 373.40789083627715
Energy: 376.88023195750566
Energy: 373.11468235007976
Energy: 377.9949884677372
Energy: 375.2612407280636
Energy: 373.11468235007976
Energy: 377.0086268882475
Energy: 375.2612407280636
Energy: 373.11468235007976
Energy: 377.0086268882475
Energy: 375.2612407280636
Energy: 373.11468235007976
Energy: 373.1220105635098
Energy: 371.3302004187185
Energy: 372.48188943268127
Energy: 373.12201056350864
Energy: 371.3302004187174
Energy: 372.48188943268127
Energy: 373.1220105635109
Energy: 371.33020041871964
Energy: 372.48188943268127
Energy: 373.1220105635098
Energy: 374.3974074826979
Energy: 374.5657636293848
Energy: 372.2632225465484
Energy: 374.39740748269674
Energy: 374.5657636293848
Energy: 372.2632225465484
Energy: 374.3974074826979
Energy: 374.56576362938586
Energy: 372.2632225465484
Energy: 374.39740748269674

minimum gb energy = 370.1981674009638 eV
minimum distance =  2.35111408679957 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 678.7741593332789
Energy: 678.8143230054775
Energy: 678.5254637707881
Energy: 678.7741593332769
Energy: 678.8143230054775
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Energy: 678.5821718894674
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Energy: 681.2231459100377
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Energy: 683.2681140844641
Energy: 681.2231459100377
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Energy: 683.2681140844641
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Energy: 680.9996531079665
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Energy: 678.9612200062875
Energy: 680.9996531079665
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Energy: 678.9612200062875
Energy: 680.9996531079665
Energy: 677.9201569749642
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Energy: 681.2822207080812
Energy: 677.9201569749642
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Energy: 681.2822207080812
Energy: 677.9201569749642
Energy: 680.0347918620898
Energy: 681.2822207080812
Energy: 677.9201569749642
Energy: 682.119687710843
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Energy: 679.792714186865
Energy: 682.119687710843
Energy: 678.9127870613961
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Energy: 678.9030865451565
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Energy: 681.3966252190901
Energy: 678.9602593765709
Energy: 678.8137065073561
Energy: 680.37247474763
Energy: 680.7464550231209
Energy: 678.813706507358
Energy: 680.37247474763
Energy: 680.7464550231188
Energy: 678.813706507358
Energy: 680.37247474763
Energy: 680.7464550231188
Energy: 678.813706507358
Energy: 682.1166014093658
Energy: 680.9943865678503
Energy: 678.9514597541935
Energy: 682.1166014093678
Energy: 680.9943865678524
Energy: 678.9514597541935
Energy: 682.1166014093658
Energy: 680.9943865678524
Energy: 678.9514597541935
Energy: 682.1166014093678
Energy: 680.4788434296036
Energy: 681.0793546926582
Energy: 679.7309498590203
Energy: 680.4788434296036
Energy: 681.0793546926603
Energy: 679.7309498590203
Energy: 680.4788434296036
Energy: 681.0793546926582
Energy: 679.7309498590203
Energy: 680.4788434296036
Energy: 681.0783512797807
Energy: 678.8561303454431
Energy: 683.273205189523
Energy: 681.0783512797788
Energy: 678.8561303454431
Energy: 683.273205189523
Energy: 681.0783512797788
Energy: 678.8561303454412
Energy: 683.2732051895208
Energy: 681.0783512797788
Energy: 680.0557406834181
Energy: 680.0549794416522
Energy: 678.9593275580218
Energy: 680.0557406834181
Energy: 680.0549794416544
Energy: 678.9593275580177
Energy: 680.0557406834181
Energy: 680.0549794416522
Energy: 678.9593275580197
Energy: 680.055740683416
Energy: 678.9350260567959
Energy: 681.2360357373924
Energy: 683.2294772999845
Energy: 678.9350260567959
Energy: 681.2360357373924
Energy: 683.2294772999845
Energy: 678.9350260567959
Energy: 681.2360357373944
Energy: 683.2294772999845
Energy: 678.9350260567937
Energy: 683.0654905880754
Energy: 679.0581403438389
Energy: 678.6156861362683
Energy: 683.0654905880754
Energy: 679.058140343841
Energy: 678.6156861362683
Energy: 683.0654905880754
Energy: 679.0581403438389
Energy: 678.6156861362683
Energy: 683.0654905880754
Energy: 681.3572548388487
Energy: 681.006565249378
Energy: 680.3486118850512
Energy: 681.3572548388468
Energy: 681.006565249378
Energy: 680.3486118850533
Energy: 681.3572548388468
Energy: 681.006565249378
Energy: 680.3486118850512
Energy: 681.3572548388468
Energy: 680.3811467495929
Energy: 681.3514558617921
Energy: 684.1783016207593
Energy: 680.3811467495909
Energy: 681.3514558617921
Energy: 684.1783016207593
Energy: 680.3811467495929
Energy: 681.3514558617921
Energy: 684.1783016207593
Energy: 680.3811467495909
Energy: 679.920072343006
Energy: 681.3202422569336
Energy: 680.4652312560846
Energy: 679.9200723430041
Energy: 681.3202422569336
Energy: 680.4652312560846
Energy: 679.9200723430041
Energy: 681.3202422569336
Energy: 680.4652312560825
Energy: 679.9200723430041
Energy: 679.0404947518715
Energy: 683.211695634304
Energy: 678.9544729075993
Energy: 679.0404947518715
Energy: 683.211695634304
Energy: 678.9544729075993
Energy: 679.0404947518715
Energy: 683.211695634304
Energy: 678.9544729075993
Energy: 679.0404947518715
Energy: 678.8874705511387
Energy: 678.7170391301306
Energy: 678.6477663278995
Energy: 678.8874705511387
Energy: 678.7170391301285
Energy: 678.6477663278995
Energy: 678.8874705511387
Energy: 678.7170391301327
Energy: 678.6477663278995
Energy: 678.8874705511407
Energy: 683.2577095388974
Energy: 681.1680640546426
Energy: 680.1231442713864
Energy: 683.2577095388996
Energy: 681.1680640546426
Energy: 680.1231442713864
Energy: 683.2577095388974
Energy: 681.1680640546406
Energy: 680.1231442713864
Energy: 683.2577095388974
Energy: 678.9146170095621
Energy: 680.9887412996769
Energy: 681.3512447129827
Energy: 678.9146170095621
Energy: 680.9887412996769
Energy: 681.3512447129827
Energy: 678.9146170095621
Energy: 680.9887412996749
Energy: 681.3512447129827
Energy: 678.9146170095621

minimum gb energy = 677.7775638509913 eV
minimum distance =  2.28462564377051 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 409.65011786144356
Energy: 413.87859890580717
Energy: 413.87452119332124
Energy: 409.650117861443
Energy: 413.87859890580637
Energy: 413.87452119332204
Energy: 409.6501178614433
Energy: 413.87859890580745
Energy: 413.87452119332073
Energy: 409.65011786144356
Energy: 412.3391983222619
Energy: 413.799907483739
Energy: 410.1674809410027
Energy: 412.3391983222622
Energy: 413.799907483739
Energy: 410.1674809410027
Energy: 412.3391983222622
Energy: 413.7999074837387
Energy: 410.1674809410027
Energy: 412.33919832226235
Energy: 415.96636605730265
Energy: 413.9992972681526
Energy: 415.6561013191901
Energy: 415.96636605730265
Energy: 413.9992972681526
Energy: 415.6561013191904
Energy: 415.9663660573034
Energy: 413.9992972681526
Energy: 415.6561013191901
Energy: 415.96636605730265
Energy: 415.90608213621044
Energy: 413.8517886984816
Energy: 414.1184166534029
Energy: 415.9060821362109
Energy: 413.85178869848187
Energy: 414.1184166534026
Energy: 415.90608213621044
Energy: 413.85178869848187
Energy: 414.11841665340313
Energy: 415.9060821362109
Energy: 410.3152072355404
Energy: 413.7023327773944
Energy: 415.4932073474819
Energy: 410.3152072355404
Energy: 413.7023327773947
Energy: 415.49320734748176
Energy: 410.3152072355402
Energy: 413.7023327773944
Energy: 415.49320734748244
Energy: 410.3152072355404
Energy: 413.66959351286783
Energy: 414.37649403559544
Energy: 413.6109288157968
Energy: 413.6695935128682
Energy: 414.37649403559544
Energy: 413.6109288157971
Energy: 413.6695935128684
Energy: 414.3764940355958
Energy: 413.6109288157968
Energy: 413.6695935128682
Energy: 413.79835502509314
Energy: 414.0990181616396
Energy: 412.24235916180453
Energy: 413.79835502509286
Energy: 414.09901816163904
Energy: 412.24235916180453
Energy: 413.79835502509314
Energy: 414.0990181616396
Energy: 412.24235916180476
Energy: 413.79835502509314
Energy: 410.2255746140257
Energy: 414.0444302237158
Energy: 414.11018280297486
Energy: 410.22557461402624
Energy: 414.04443022371606
Energy: 414.1101828029746
Energy: 410.22557461402624
Energy: 414.0444302237158
Energy: 414.1101828029751
Energy: 410.22557461402596
Energy: 413.78405870893533
Energy: 412.32500733091206
Energy: 414.1176441256799
Energy: 413.78405870893533
Energy: 412.32500733091234
Energy: 414.11764412568016
Energy: 413.7840587089351
Energy: 412.32500733091183
Energy: 414.11764412568044
Energy: 413.7840587089357
Energy: 413.7582243357384
Energy: 413.62398214837214
Energy: 414.465538098303
Energy: 413.7582243357384
Energy: 413.62398214837236
Energy: 414.4655380983027
Energy: 413.75822433573813
Energy: 413.62398214837265
Energy: 414.46553809830255
Energy: 413.75822433573813
Energy: 410.39085102029463
Energy: 415.54940869963156
Energy: 413.6856136487827
Energy: 410.39085102029486
Energy: 415.54940869963156
Energy: 413.6856136487822
Energy: 410.39085102029463
Energy: 415.5494086996319
Energy: 413.68561364878343
Energy: 410.39085102029463
Energy: 415.88969820806153
Energy: 414.11690715164974
Energy: 413.83986618712385
Energy: 415.8896982080617
Energy: 414.11690715164923
Energy: 413.83986618712356
Energy: 415.88969820806153
Energy: 414.11690715164974
Energy: 413.8398661871241
Energy: 415.88969820806153
Energy: 416.05479863427144
Energy: 415.64287348458424
Energy: 413.9991134776757
Energy: 416.05479863427144
Energy: 415.6428734845841
Energy: 413.99911347767335
Energy: 416.05479863427144
Energy: 415.64287348458424
Energy: 413.99911347767363
Energy: 416.05479863427144
Energy: 412.2780214307342
Energy: 410.2451747842928
Energy: 413.8130385104143
Energy: 412.2780214307334
Energy: 410.24517478429226
Energy: 413.813038510414
Energy: 412.27802143073393
Energy: 410.24517478429226
Energy: 413.8130385104138
Energy: 412.27802143073393
Energy: 409.65011786144356
Energy: 413.87859890580694
Energy: 413.87452119332227
Energy: 409.6501178614438
Energy: 413.8785989058076
Energy: 413.87452119332056
Energy: 409.65011786144356
Energy: 413.87859890580745
Energy: 413.87452119332073
Energy: 409.6501178614438
Energy: 412.3391983222622
Energy: 413.7999074837387
Energy: 410.1674809410035
Energy: 412.3391983222619
Energy: 413.7999074837387
Energy: 410.16748094100296
Energy: 412.3391983222619
Energy: 413.7999074837387
Energy: 410.1674809410027
Energy: 412.3391983222619
Energy: 415.9663660573018
Energy: 413.99929726815327
Energy: 415.6561013191904
Energy: 415.96636605730373
Energy: 413.99929726815225
Energy: 415.6561013191904
Energy: 415.9663660573023
Energy: 413.9992972681528
Energy: 415.6561013191904
Energy: 415.96636605730293
Energy: 415.9060821362111
Energy: 413.8517886984816
Energy: 414.1184166534029
Energy: 415.90608213621016
Energy: 413.8517886984816
Energy: 414.1184166534035
Energy: 415.9060821362109
Energy: 413.85178869848136
Energy: 414.1184166534026
Energy: 415.9060821362109
Energy: 410.3152072355404
Energy: 413.70233277739493
Energy: 415.4932073474822
Energy: 410.3152072355404
Energy: 413.7023327773947
Energy: 415.4932073474822
Energy: 410.3152072355407
Energy: 413.7023327773944
Energy: 415.4932073474819
Energy: 410.3152072355402
Energy: 413.66959351286783
Energy: 414.37649403559544
Energy: 413.6109288157973
Energy: 413.6695935128682
Energy: 414.3764940355952
Energy: 413.6109288157965
Energy: 413.6695935128682
Energy: 414.37649403559544
Energy: 413.6109288157968
Energy: 413.6695935128682
Energy: 413.79835502509314
Energy: 414.09901816163926
Energy: 412.24235916180453
Energy: 413.79835502509286
Energy: 414.09901816163926
Energy: 412.24235916180453
Energy: 413.79835502509314
Energy: 414.0990181616396
Energy: 412.24235916180373
Energy: 413.79835502509314
Energy: 410.22557461402596
Energy: 414.04443022371606
Energy: 414.11018280297486
Energy: 410.2255746140257
Energy: 414.0444302237158
Energy: 414.1101828029751
Energy: 410.2255746140257
Energy: 414.04443022371635
Energy: 414.11018280297486
Energy: 410.22557461402545
Energy: 413.7840587089357
Energy: 412.32500733091234
Energy: 414.11764412568016
Energy: 413.78405870893533
Energy: 412.32500733091234
Energy: 414.11764412568067
Energy: 413.78405870893585
Energy: 412.32500733091234
Energy: 414.11764412568044
Energy: 413.7840587089349
Energy: 413.7582243357379
Energy: 413.62398214837236
Energy: 414.4655380983027
Energy: 413.7582243357379
Energy: 413.62398214837236
Energy: 414.465538098303
Energy: 413.75822433573813
Energy: 413.62398214837265
Energy: 414.4655380983033
Energy: 413.7582243357387
Energy: 410.39085102029514
Energy: 415.54940869963133
Energy: 413.68561364878315
Energy: 410.39085102029463
Energy: 415.5494086996319
Energy: 413.685613648783
Energy: 410.39085102029486
Energy: 415.54940869963207
Energy: 413.68561364878167
Energy: 410.39085102029463
Energy: 415.8896982080617
Energy: 414.1169071516495
Energy: 413.8398661871241
Energy: 415.8896982080617
Energy: 414.11690715164974
Energy: 413.83986618712356
Energy: 415.88969820806125
Energy: 414.11690715165
Energy: 413.8398661871241
Energy: 415.88969820806153
Energy: 416.05479863427144
Energy: 415.6428734845841
Energy: 413.99911347767534
Energy: 416.054798634272
Energy: 415.6428734845841
Energy: 413.9991134776757
Energy: 416.0547986342717
Energy: 415.6428734845838
Energy: 413.99911347767534
Energy: 416.0547986342717
Energy: 412.2780214307334
Energy: 410.24517478429226
Energy: 413.8130385104138
Energy: 412.27802143073313
Energy: 410.2451747842925
Energy: 413.813038510414
Energy: 412.2780214307324
Energy: 410.2451747842928
Energy: 413.813038510414
Energy: 412.27802143073393
Energy: 409.65011786144356
Energy: 413.87859890580717
Energy: 413.8745211933216
Energy: 409.6501178614433
Energy: 413.87859890580694
Energy: 413.87452119332175
Energy: 409.65011786144356
Energy: 413.87859890580694
Energy: 413.874521193321
Energy: 409.6501178614438
Energy: 412.3391983222622
Energy: 413.7999074837392
Energy: 410.1674809410027
Energy: 412.3391983222622
Energy: 413.7999074837392
Energy: 410.1674809410037
Energy: 412.33919832226167
Energy: 413.799907483739
Energy: 410.1674809410027
Energy: 412.3391983222622
Energy: 415.96636605730373
Energy: 413.9992972681528
Energy: 415.6561013191901
Energy: 415.9663660573022
Energy: 413.99929726815304
Energy: 415.6561013191904
Energy: 415.96636605730316
Energy: 413.9992972681528
Energy: 415.6561013191901
Energy: 415.96636605730316
Energy: 415.90608213621044
Energy: 413.85178869848187
Energy: 414.1184166534026
Energy: 415.9060821362109
Energy: 413.8517886984816
Energy: 414.1184166534029
Energy: 415.90608213621044
Energy: 413.8517886984816
Energy: 414.1184166534026
Energy: 415.9060821362111
Energy: 410.3152072355407
Energy: 413.70233277739493
Energy: 415.4932073474822
Energy: 410.3152072355407
Energy: 413.70233277739493
Energy: 415.49320734748244
Energy: 410.3152072355407
Energy: 413.70233277739493
Energy: 415.4932073474822
Energy: 410.3152072355407
Energy: 413.6695935128682
Energy: 414.3764940355952
Energy: 413.6109288157968
Energy: 413.6695935128682
Energy: 414.37649403559544
Energy: 413.6109288157971
Energy: 413.6695935128682
Energy: 414.37649403559544
Energy: 413.6109288157971
Energy: 413.6695935128682
Energy: 413.79835502509314
Energy: 414.09901816163926
Energy: 412.24235916180396
Energy: 413.79835502509263
Energy: 414.09901816163904
Energy: 412.242359161805
Energy: 413.79835502509314
Energy: 414.0990181616396
Energy: 412.24235916180425
Energy: 413.7983550250933
Energy: 410.22557461402624
Energy: 414.0444302237153
Energy: 414.11018280297486
Energy: 410.2255746140267
Energy: 414.04443022371606
Energy: 414.1101828029751
Energy: 410.22557461402596
Energy: 414.0444302237153
Energy: 414.1101828029751
Energy: 410.2255746140264
Energy: 413.78405870893533
Energy: 412.32500733091206
Energy: 414.11764412568067
Energy: 413.78405870893533
Energy: 412.32500733091234
Energy: 414.11764412568016
Energy: 413.7840587089349
Energy: 412.32500733091234
Energy: 414.11764412568044
Energy: 413.78405870893533
Energy: 413.7582243357377
Energy: 413.62398214837236
Energy: 414.465538098303
Energy: 413.7582243357384
Energy: 413.62398214837236
Energy: 414.4655380983027
Energy: 413.75822433573893
Energy: 413.62398214837214
Energy: 414.4655380983027
Energy: 413.7582243357387
Energy: 410.39085102029486
Energy: 415.5494086996319
Energy: 413.685613648783
Energy: 410.39085102029514
Energy: 415.54940869963156
Energy: 413.685613648783
Energy: 410.39085102029514
Energy: 415.54940869963156
Energy: 413.6856136487827
Energy: 410.39085102029514
Energy: 415.88969820806153
Energy: 414.11690715164974
Energy: 413.83986618712356
Energy: 415.8896982080617
Energy: 414.1169071516495
Energy: 413.83986618712436
Energy: 415.889698208062
Energy: 414.1169071516495
Energy: 413.83986618712356
Energy: 415.8896982080617

minimum gb energy = 409.650117861443 eV
minimum distance =  2.31382207372632 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 378.1110283647802
Energy: 377.9168306020127
Energy: 377.92863014428286
Energy: 378.11102836477886
Energy: 377.9168306020127
Energy: 377.92863014428286
Energy: 378.11102836477977
Energy: 377.9168306020127
Energy: 377.9286301442824
Energy: 378.111028364788
Energy: 378.09467824419687
Energy: 378.1111110127686
Energy: 378.10697381858995
Energy: 378.0946782441974
Energy: 378.1111110127686
Energy: 378.10697381858995
Energy: 378.0946782441974
Energy: 378.1111110127691
Energy: 378.10697381858995
Energy: 378.0946782441978
Energy: 377.9541882304448
Energy: 378.02591525124734
Energy: 383.80700405759626
Energy: 377.9541882304443
Energy: 378.0259152512469
Energy: 383.80700405759666
Energy: 377.9541882304439
Energy: 378.02591525124734
Energy: 383.80700405759666
Energy: 377.9541882304443
Energy: 383.8134345829589
Energy: 378.0239869170515
Energy: 377.81325608023064
Energy: 383.8134345829589
Energy: 378.0239869170515
Energy: 377.81325608023025
Energy: 383.8134345829589
Energy: 378.0239869170515
Energy: 377.81325608023064
Energy: 383.8134345829589
Energy: 378.09889203428025
Energy: 378.1245877364524
Energy: 378.09872739765035
Energy: 378.09889203428025
Energy: 378.1245877364519
Energy: 378.0987273976493
Energy: 378.09889203428025
Energy: 378.1245877364519
Energy: 378.0987273976508
Energy: 378.09889203427974
Energy: 377.9168306020123
Energy: 377.92863014428286
Energy: 378.11102836477835
Energy: 377.9168306020123
Energy: 377.9286301442824
Energy: 378.11102836477977
Energy: 377.9168306020123
Energy: 377.92863014428286
Energy: 378.11102836477977
Energy: 377.9168306020131
Energy: 378.1111110127686
Energy: 378.10697381858995
Energy: 378.09467824419687
Energy: 378.1111110127686
Energy: 378.10697381859035
Energy: 378.09467824419687
Energy: 378.1111110127686
Energy: 378.1069738185895
Energy: 378.09467824419687
Energy: 378.1111110127686
Energy: 378.0259152512469
Energy: 383.80700405759666
Energy: 377.9541882304443
Energy: 378.0259152512469
Energy: 383.80700405759666
Energy: 377.9541882304448
Energy: 378.0259152512464
Energy: 383.80700405759666
Energy: 377.9541882304448
Energy: 378.0259152512469
Energy: 378.0239869170515
Energy: 377.81325608023025
Energy: 383.8134345829584
Energy: 378.02398691705105
Energy: 377.81325608023064
Energy: 383.8134345829589
Energy: 378.0239869170515
Energy: 377.81325608023025
Energy: 383.8134345829584
Energy: 378.0239869170515
Energy: 378.12458773645136
Energy: 378.09872739764984
Energy: 378.09889203428025
Energy: 378.12458773645136
Energy: 378.0987273976508
Energy: 378.09889203427974
Energy: 378.1245877364519
Energy: 378.09872739765035
Energy: 378.09889203428025
Energy: 378.12458773645136
Energy: 377.92863014428286
Energy: 378.1110283647802
Energy: 377.9168306020127
Energy: 377.92863014428286
Energy: 378.11102836478074
Energy: 377.9168306020127
Energy: 377.92863014428286
Energy: 378.11102836477835
Energy: 377.9168306020123
Energy: 377.9286301442824
Energy: 378.10697381858995
Energy: 378.09467824419687
Energy: 378.1111110127691
Energy: 378.10697381859035
Energy: 378.09467824419687
Energy: 378.1111110127686
Energy: 378.10697381858995
Energy: 378.0946782441978
Energy: 378.1111110127682
Energy: 378.10697381859035
Energy: 383.80700405759666
Energy: 377.9541882304443
Energy: 378.02591525124734
Energy: 383.80700405759666
Energy: 377.9541882304443
Energy: 378.02591525124734
Energy: 383.80700405759666
Energy: 377.9541882304439
Energy: 378.0259152512469
Energy: 383.80700405759626
Energy: 377.81325608023025
Energy: 383.8134345829589
Energy: 378.02398691705196
Energy: 377.81325608023025
Energy: 383.8134345829589
Energy: 378.02398691705105
Energy: 377.81325608023064
Energy: 383.8134345829589
Energy: 378.0239869170515
Energy: 377.81325608023025
Energy: 378.09872739765035
Energy: 378.09889203428025
Energy: 378.1245877364519
Energy: 378.0987273976508
Energy: 378.09889203427974
Energy: 378.12458773645136
Energy: 378.09872739765035
Energy: 378.09889203428025
Energy: 378.1245877364519
Energy: 378.09872739765035
Energy: 378.1110283647794
Energy: 377.9168306020123
Energy: 377.9286301442824
Energy: 378.11102836477886
Energy: 377.9168306020127
Energy: 377.9286301442833
Energy: 378.11102836477977
Energy: 377.9168306020123
Energy: 377.92863014428286
Energy: 378.11102836477795
Energy: 378.0946782441974
Energy: 378.1111110127691
Energy: 378.10697381858995
Energy: 378.0946782441978
Energy: 378.1111110127682
Energy: 378.10697381858995
Energy: 378.0946782441974
Energy: 378.1111110127682
Energy: 378.10697381858995
Energy: 378.0946782441978
Energy: 377.9541882304448
Energy: 378.0259152512469
Energy: 383.80700405759626
Energy: 377.9541882304443
Energy: 378.02591525124734
Energy: 383.80700405759626
Energy: 377.9541882304448
Energy: 378.02591525124734
Energy: 383.80700405759666
Energy: 377.9541882304448
Energy: 383.8134345829589
Energy: 378.0239869170515
Energy: 377.81325608023025
Energy: 383.8134345829584
Energy: 378.0239869170515
Energy: 377.81325608023025
Energy: 383.8134345829584
Energy: 378.02398691705105
Energy: 377.81325608023025
Energy: 383.8134345829589
Energy: 378.09889203428025
Energy: 378.1245877364524
Energy: 378.0987273976508
Energy: 378.09889203428025
Energy: 378.12458773645136
Energy: 378.0987273976508
Energy: 378.09889203427974
Energy: 378.1245877364524
Energy: 378.09872739764984
Energy: 378.09889203428025
Energy: 377.9168306020123
Energy: 377.92863014428286
Energy: 378.11102836478204
Energy: 377.9168306020123
Energy: 377.9286301442824
Energy: 378.11102836477886
Energy: 377.9168306020123
Energy: 377.92863014428286
Energy: 378.1110283647794
Energy: 377.9168306020127
Energy: 378.1111110127682
Energy: 378.10697381858995
Energy: 378.0946782441978
Energy: 378.1111110127682
Energy: 378.10697381859035
Energy: 378.0946782441978
Energy: 378.1111110127686
Energy: 378.1069738185895
Energy: 378.0946782441978
Energy: 378.1111110127686

minimum gb energy = 377.81325608023025 eV
minimum distance =  2.34417443219623 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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Energy: 501.40522559707347
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Energy: 511.44656994971
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Energy: 509.3778248163704
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Energy: 507.5680468195143
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Energy: 510.5861542043096
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Energy: 503.1570601850199
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Energy: 504.81014914606334
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Energy: 505.0563610181729
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Energy: 506.56099868113347
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Energy: 508.17829102261356
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Energy: 507.83528908789253
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Energy: 507.68860127937546
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Energy: 501.801294891458
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Energy: 504.93793147870264
Energy: 507.59100736796466
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Energy: 505.0718993697408
Energy: 505.99995765298246
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Energy: 505.0718993697449
Energy: 505.99995765298655
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Energy: 505.0718993697429
Energy: 505.9999576529845
Energy: 504.7458958616748
Energy: 505.0718993697429
Energy: 505.79973204836097
Energy: 505.9573277085805
Energy: 504.1900045957207
Energy: 505.7997320483631
Energy: 505.9573277085765
Energy: 504.1888933065389
Energy: 505.79973204836097
Energy: 505.9573277085765
Energy: 504.19000459572277
Energy: 505.79973204836523
Energy: 508.21003807637294
Energy: 508.070447384585
Energy: 505.02485634387546
Energy: 508.21003807636674
Energy: 508.07044738458086
Energy: 505.02485634387745
Energy: 508.21003807637294
Energy: 508.07044738458296
Energy: 505.02485634387546
Energy: 508.210038076371
Energy: 505.0580840224796
Energy: 507.59034654924255
Energy: 506.68471079509493
Energy: 505.05808402248164
Energy: 507.59034654924255
Energy: 506.68471079509686
Energy: 505.05808402248385
Energy: 507.5903465492445
Energy: 506.68471079509686
Energy: 505.05808402248164

minimum gb energy = 501.4052255970714 eV
minimum distance =  2.29281679607473 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 553.6058364434443
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Energy: 553.6058364434466
Energy: 553.5034712713066
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Energy: 556.4493674957866
Energy: 553.2554611275125
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Energy: 553.2554611275125
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Energy: 556.4493674957866
Energy: 557.7776909538865
Energy: 557.8866450605536
Energy: 556.3305624128064
Energy: 557.7776909538858
Energy: 557.886645060553
Energy: 556.3305624128071
Energy: 557.7776909538858
Energy: 557.8866450605545
Energy: 556.3305624128071
Energy: 557.7776909538865

minimum gb energy = 552.7501969273394 eV
minimum distance =  2.29922332728587 Angstroms
sigma value = 33