Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6131481304764748
cohesive_energy=3.4950398727056187
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016595560611839203
Energy: 0.6513713572246113
Energy: 1.7250003158690614
Energy: 0.6515422195974547
Energy: 0.01659556061334866
Energy: 0.6513713572253803
Energy: 0.7536606948472434
Energy: 0.7534000174834654
Energy: 0.017126234182892792
Energy: 0.3273983599669659
Energy: 0.017005860767806157
Energy: 0.7534000174839782
Energy: 0.017126234180899175
Energy: 0.32739835996895955
Energy: 0.016595560611611365
Energy: 0.6513713572243551
Energy: 1.7250002473634087
Energy: 0.6515422195977112
Energy: 0.01659556061309234
Energy: 0.6513713572251238
Energy: 0.7536606948469872
Energy: 0.7534000174842346
Energy: 0.01712623418240863
Energy: 0.3273983599672223
Energy: 0.017005860768062476
Energy: 0.7534000174839782
Energy: 0.017126234182152308
Energy: 0.3273983599684754
Energy: 0.016595560611839203
Energy: 0.6513713572248676
Energy: 1.725000048525704
Energy: 0.651542219597939
Energy: 0.01659556061334866
Energy: 0.6513713572251238
Energy: 0.753660694846503
Energy: 0.7534000174844909
Energy: 0.017126234182892792
Energy: 0.3273983599677064
Energy: 0.017005860768062476
Energy: 0.7534000174842346
Energy: 0.017126234181639662
Energy: 0.32739835996873173

minimum gb energy = 0.016595560611611365 eV
minimum distance =  2.53585007561701 Angstroms
sigma value = 5


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

Energy: 1.6468375848065815
Energy: 1.5457286773369163
Energy: 1.5897830825342492
Energy: 1.5459699833887441
Energy: 1.6468375848035195
Energy: 1.5457286773369163
Energy: 1.5597603089769776
Energy: 1.5331324818683099
Energy: 1.5212425801908858
Energy: 1.565582136951281
Energy: 1.5446297612612085
Energy: 1.5331324818683099
Energy: 1.521242580184762
Energy: 1.5655821369696525
Energy: 1.5440043668435959
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Energy: 1.5482744043700594
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Energy: 1.5482744043853687
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Energy: 1.631989803269465
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Energy: 1.54534911740593
Energy: 1.5526065195150598
Energy: 1.511187079927008
Energy: 1.583770740957857
Energy: 1.5453491174212397
Energy: 1.5526065195058742
Energy: 1.5799288245582503
Energy: 1.5731168584124657
Energy: 1.5200726547804133
Energy: 1.5840835967282045
Energy: 1.5799288245643184
Energy: 1.5731168584155277
Energy: 1.5200726547804133
Energy: 1.5450789174183273
Energy: 1.554182523109566
Energy: 1.5373688603496096
Energy: 1.566680797919486
Energy: 1.5450789174091415
Energy: 1.554182523106504
Energy: 1.5373688603251146
Energy: 1.5116509741883892
Energy: 1.5699307407043654
Energy: 1.5286517125274872
Energy: 1.5673316043987597
Energy: 1.5116509742036435
Energy: 1.5699307407013035
Energy: 1.5286517125274872
Energy: 1.5683764933215876
Energy: 1.5689038093808665
Energy: 1.5350004487782585
Energy: 1.5681054458220474
Energy: 1.5683764933093958
Energy: 1.5689038093808665
Energy: 1.5350004487751967
Energy: 1.5118290461946977
Energy: 1.5673865511972003
Energy: 1.5409646810034712
Energy: 1.5592074293417422
Energy: 1.511829046188574
Energy: 1.5673865511941385
Energy: 1.5409646810034712

minimum gb energy = 1.4879702789089353 eV
minimum distance =  2.26248927041384 Angstroms
sigma value = 401


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

Energy: 1.5715280113629566
Energy: 1.6180281548560878
Energy: 1.5404834763148443
Energy: 1.6180673208481273
Energy: 1.5715280113678225
Energy: 1.618028154850906
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Energy: 1.5709694809325385
Energy: 1.5304560514030086
Energy: 1.611606248794208
Energy: 1.5532045817646978
Energy: 1.626318317422546
Energy: 1.5304560514071792
Energy: 1.6116062487896585
Energy: 1.5532045817521858
Energy: 1.5331825594278137
Energy: 1.5763543428913027
Energy: 1.551670816597204
Energy: 1.6264059886107838
Energy: 1.5331825594312893
Energy: 1.5763543429010343
Energy: 1.5516708165899369
Energy: 1.53312610865149
Energy: 1.5299883970069936
Energy: 1.553000433912061
Energy: 1.6258393049605455
Energy: 1.5331261086483938
Energy: 1.5299883969944812
Energy: 1.5530004338963896
Energy: 1.5307279478422207
Energy: 1.5840096085783684
Energy: 1.5496553646146298
Energy: 1.626322569040646
Energy: 1.5307279478307196
Energy: 1.5840096085714173
Energy: 1.5496553646069837
Energy: 1.5499418500398034
Energy: 1.6099674877732286
Energy: 1.5486961886055692
Energy: 1.6261791894275686
Energy: 1.5499418500252058
Energy: 1.6099674877791685
Energy: 1.5486961886031678
Energy: 1.5715280113643473
Energy: 1.6180281548560878
Energy: 1.5116327381073997
Energy: 1.6180673208477478
Energy: 1.571528011369529
Energy: 1.618028154850906
Energy: 1.5116327380969734
Energy: 1.5499682874556533
Energy: 1.6261981690961647
Energy: 1.548452492108585
Energy: 1.6103729358063565
Energy: 1.5499682874632994
Energy: 1.6261981690975547
Energy: 1.548452492107511

minimum gb energy = 1.511632738096594 eV
minimum distance =  2.30352740168005 Angstroms
sigma value = 311


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

Energy: 1.6704987822536257
Energy: 1.612659484180522
Energy: 1.6628771217657292
Energy: 1.5885445876736526
Energy: 1.6704987822524218
Energy: 1.612659484179318
Energy: 1.6290427519563722
Energy: 1.6387512594823097
Energy: 1.6292566360634304
Energy: 1.6425396473484422
Energy: 1.6015881758985304
Energy: 1.6387512594795004
Energy: 1.6292566360658383
Energy: 1.6425396473488436
Energy: 1.6572205207569954
Energy: 1.583546794686047
Energy: 1.673956963925984
Energy: 1.5911463107633999
Energy: 1.6572205207549888
Energy: 1.5835467946900603
Energy: 1.6978567941110931
Energy: 1.6167863668992415
Energy: 1.575260508619209
Energy: 1.5606860250961687
Energy: 1.5049209247353101
Energy: 1.6167863668984388
Energy: 1.5752605086176037
Energy: 1.5606860250969714
Energy: 1.675348863084362
Energy: 1.5935478843918183
Energy: 1.657720785960841
Energy: 1.5797522021625348
Energy: 1.6753488630839608
Energy: 1.5935478843902129
Energy: 1.6699130286263117
Energy: 1.5850412018945916
Energy: 1.6103227188244158
Energy: 1.5640052351146267
Energy: 1.5634940029406947
Energy: 1.5850412018957956
Energy: 1.6103227188280274
Energy: 1.564005235115028
Energy: 1.6739261005323918
Energy: 1.6227938646472602
Energy: 1.6091755675136503
Energy: 1.6184280407111007
Energy: 1.6739261005295827
Energy: 1.6227938646460565
Energy: 1.612287148932028
Energy: 1.585262465716782
Energy: 1.587542734147672
Energy: 1.6004057904710418
Energy: 1.6106230731803033
Energy: 1.5852624657163805
Energy: 1.5875427341488761
Energy: 1.6004057904746536
Energy: 1.5778461971503146
Energy: 1.600015898900939
Energy: 1.572935742150194
Energy: 1.5810182682348153
Energy: 1.5778461971499131
Energy: 1.6000158989025441
Energy: 1.5729357421469834
Energy: 1.607870944013771
Energy: 1.6077611715749036
Energy: 1.6973503051106718
Energy: 1.5908755354807382
Energy: 1.6078709440133698
Energy: 1.607761171572897
Energy: 1.697350305109468
Energy: 1.713199451473781
Energy: 1.60355360937751
Energy: 1.597890019766812
Energy: 1.5473437087180961
Energy: 1.7131994514733797
Energy: 1.6035536093767073
Energy: 1.597890019764404
Energy: 1.6465301363119456
Energy: 1.6374231787576539
Energy: 1.6447376187309835
Energy: 1.664086044366563
Energy: 1.6465301363127482
Energy: 1.6374231787580553
Energy: 1.6447376187269702
Energy: 1.568749306444288
Energy: 1.6209875048453755
Energy: 1.6695749058584985
Energy: 1.59823497564208
Energy: 1.5687493064438864
Energy: 1.6209875048441713
Energy: 1.6695749058617089
Energy: 1.6149842862016646
Energy: 1.5432606564851181
Energy: 1.6594389897467539
Energy: 1.6166816070933534
Energy: 1.6149842862024673
Energy: 1.543260656486322
Energy: 1.6594389897459512
Energy: 1.6769743623331028
Energy: 1.5697867093880866
Energy: 1.6265661114545202
Energy: 1.503745992235544
Energy: 1.6769743623331028
Energy: 1.5697867093884879
Energy: 1.6265661114513097
Energy: 1.6356534344864284
Energy: 1.5937806731298212
Energy: 1.649003369822754
Energy: 1.6112599219573314
Energy: 1.6356534344884346
Energy: 1.5937806731306239
Energy: 1.649003369822353
Energy: 1.6732618502849321
Energy: 1.5866238813373532
Energy: 1.5788868959606566
Energy: 1.623867554940032
Energy: 1.6732618502801162
Energy: 1.5866238813357483
Energy: 1.5788868959598539
Energy: 1.591613665969743
Energy: 1.6280092961775297
Energy: 1.709229342003579
Energy: 1.5999855188436942
Energy: 1.591613665968138
Energy: 1.6280092961807402
Energy: 1.7092293420019737
Energy: 1.666013585034354
Energy: 1.5882770079761046
Energy: 1.5891010847198983
Energy: 1.5796927147572803
Energy: 1.66601358503315
Energy: 1.5882770079765058
Energy: 1.6545184258715415
Energy: 1.6101879339812295
Energy: 1.600632613019866
Energy: 1.5612919344230531
Energy: 1.5563431919990705
Energy: 1.610187933980828
Energy: 1.6006326130218729
Energy: 1.561291934422652
Energy: 1.652131120358508
Energy: 1.628387472645949
Energy: 1.6593035593136916
Energy: 1.5883473698506956
Energy: 1.6521311203589093
Energy: 1.6283874726443441
Energy: 1.6593035593128889
Energy: 1.5974957178763645
Energy: 1.6027524119809935
Energy: 1.5590542760286645
Energy: 1.5472850069304351
Energy: 1.5974957178763645
Energy: 1.6027524119846055
Energy: 1.559054276026293
Energy: 1.6728118867464985
Energy: 1.5872090704102726
Energy: 1.6024843870734613
Energy: 1.5933205342231038
Energy: 1.6728118867432882
Energy: 1.58720907040947
Energy: 1.6024843870742638
Energy: 1.6202131366949084
Energy: 1.6096881959630422
Energy: 1.5615726161297203
Energy: 1.5995710943454708
Energy: 1.620213136699724
Energy: 1.6096881959626408
Energy: 1.5615726161277137
Energy: 1.6145955215861192
Energy: 1.580218548827076
Energy: 1.6548100196965883
Energy: 1.63123200900965
Energy: 1.6145955215853165
Energy: 1.580218548824668
Energy: 1.6548100197010027
Energy: 1.6149833270856742
Energy: 1.5875726860397659
Energy: 1.672196623702055
Energy: 1.5544230363061589
Energy: 1.61498332708447
Energy: 1.5875726860393646
Energy: 1.672196623699647
Energy: 1.710496002267054
Energy: 1.6185591939575252
Energy: 1.667816473041941
Energy: 1.5883967021062395
Energy: 1.7104960022698634
Energy: 1.6185591939575252
Energy: 1.6678164730407368
Energy: 1.6431283667781869
Energy: 1.6068158714510241
Energy: 1.6027946867785698
Energy: 1.6126788335647815
Energy: 1.6431283667753775
Energy: 1.6068158714518268
Energy: 1.6027946867777672
Energy: 1.6347335592862715
Energy: 1.5805426977561319
Energy: 1.6974598457917238
Energy: 1.5825217712970026
Energy: 1.6347335592854688
Energy: 1.5805426977613124
Energy: 1.6974598457937302
Energy: 1.5852212803686858
Energy: 1.579562870056319
Energy: 1.578964460670977
Energy: 1.5538616743586047
Energy: 1.5852212803710937
Energy: 1.579562870056319
Energy: 1.5789644606690068
Energy: 1.6736926496384577
Energy: 1.5934418943438833
Energy: 1.6806046649185185
Energy: 1.5389328512429583
Energy: 1.6736926496372904
Energy: 1.5934418943454884
Energy: 1.6806046649169133
Energy: 1.6149058340466058
Energy: 1.5473703810473454
Energy: 1.587398320497326
Energy: 1.5775601420188492
Energy: 1.6149058340429936
Energy: 1.547370381048148
Energy: 1.5873983205001352
Energy: 1.6347168277753732
Energy: 1.6269693565915513
Energy: 1.6213596848126448
Energy: 1.626951619872719
Energy: 1.6347168277693533
Energy: 1.626969356588742
Energy: 1.6213596848130463
Energy: 1.5850554812253292
Energy: 1.6217528200087779
Energy: 1.5988271210203007
Energy: 1.609659710435606
Energy: 1.5850554812269346
Energy: 1.6217528200079752
Energy: 1.5988271210178928
Energy: 1.6521168990057147
Energy: 1.625229031295714
Energy: 1.646913221757513
Energy: 1.6069624490957555
Energy: 1.652116899009728
Energy: 1.6252290312941087
Energy: 1.6469132217579143
Energy: 1.5794696182033523
Energy: 1.6109043132926497
Energy: 1.6564326983330961
Energy: 1.5885738838161438
Energy: 1.5794696182017471
Energy: 1.6109043132902419
Energy: 1.6564326983318924

minimum gb energy = 1.503745992235544 eV
minimum distance =  2.27141728987509 Angstroms
sigma value = 39


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

Energy: 1.5968873082498631
Energy: 1.6260231213171619
Energy: 1.5223124138712107
Energy: 1.6259071003327081
Energy: 1.5968873082470216
Energy: 1.6260231213247403
Energy: 1.6895970723585692
Energy: 1.5806477441566333
Energy: 1.6007848361096828
Energy: 1.4526906695982151
Energy: 1.6008455929719079
Energy: 1.5806477441438451
Energy: 1.6007848361068409
Energy: 1.452690669598689
Energy: 1.5969029333730909
Energy: 1.4869993611456194
Energy: 1.5017389108948977
Energy: 1.6269480961221068
Energy: 1.5969029333716698
Energy: 1.4869993611494086
Energy: 1.5017389109015284
Energy: 1.579705763296893
Energy: 1.6023372120174415
Energy: 1.4526892144138244
Energy: 1.5762055289575534
Energy: 1.5797057632992613
Energy: 1.6023372120609733
Energy: 1.4526892144105088
Energy: 1.6294319961580284
Energy: 1.6264813003044685
Energy: 1.5234028724940791
Energy: 1.6269059581056977
Energy: 1.6294319961608703
Energy: 1.6264813003035214
Energy: 1.6101755991912095
Energy: 1.5799263681696871
Energy: 1.6011771702458457
Energy: 1.6437805881547816
Energy: 1.5775863836835693
Energy: 1.5799263681673188
Energy: 1.6011771702595812
Energy: 1.6437805881585708
Energy: 1.7256077809180146
Energy: 1.6266440637864246
Energy: 1.6731698283826817
Energy: 1.6268150881102508
Energy: 1.725607780922751
Energy: 1.6266440637906874
Energy: 1.6398098284266849
Energy: 1.5792190220831008
Energy: 1.4652479342188731
Energy: 1.5384633760297055
Energy: 1.4651482889831287
Energy: 1.5792190220821536
Energy: 1.465247934221715
Energy: 1.5384633760268636
Energy: 1.7254972173358667
Energy: 1.6268411057135208
Energy: 1.5938547562508747
Energy: 1.6267311097925523
Energy: 1.7254972173325511
Energy: 1.6268411057168366
Energy: 1.5938547562475591
Energy: 1.5799255374835273
Energy: 1.5774924613156902
Energy: 1.6437375363128353
Energy: 1.6011548885409168
Energy: 1.57992553748258
Energy: 1.5774924613185324
Energy: 1.6437375363255804
Energy: 1.6294063864865413
Energy: 1.627032199076728
Energy: 1.5014712689646545
Energy: 1.6264741509127036
Energy: 1.6294063864813315
Energy: 1.6270321990610979
Energy: 1.49080384900275
Energy: 1.5796812350704863
Energy: 1.5760509426123492
Energy: 1.4526409307572183
Energy: 1.6035827186562723
Energy: 1.5796812350700125
Energy: 1.5760509426095073
Energy: 1.452640930753903
Energy: 1.5969002495023767
Energy: 1.6268716663713936
Energy: 1.4796727774229452
Energy: 1.4869834266628437
Energy: 1.5969002495080604
Energy: 1.6268716663728144
Energy: 1.4982666326557323
Energy: 1.580593915269914
Energy: 1.6008708994005576
Energy: 1.452792118148916
Energy: 1.6007575116601709
Energy: 1.580593915266125
Energy: 1.6008708993996104
Energy: 1.452792118139443
Energy: 1.596887308250337
Energy: 1.6260231213176357
Energy: 1.6152204936597554
Energy: 1.6259071003317607
Energy: 1.5968873082484423
Energy: 1.6260231213242664
Energy: 1.6895970723637794
Energy: 1.580647744155686
Energy: 1.6007848361111034
Energy: 1.452690669598689
Energy: 1.6008455929719079
Energy: 1.580647744142424
Energy: 1.6007848361068409
Energy: 1.4526906696010573
Energy: 1.5969029333735643
Energy: 1.4869993611470405
Energy: 1.5017389108958445
Energy: 1.6269480961216332
Energy: 1.5969029333721434
Energy: 1.4869993611479875
Energy: 1.5017389109015284
Energy: 1.579705763296893
Energy: 1.6023372120259671
Energy: 1.4526892144114563
Energy: 1.5762055289585009
Energy: 1.5797057632992613
Energy: 1.6023372120283355
Energy: 1.4526892144100354
Energy: 1.6294319961566073
Energy: 1.6264813003044685
Energy: 1.523402872487448
Energy: 1.6269059581038035
Energy: 1.6294319961580284
Energy: 1.626481300303995
Energy: 1.5234028724841329
Energy: 1.5799263681692135
Energy: 1.6011771702467927
Energy: 1.643780588158097
Energy: 1.577586383681201
Energy: 1.5799263681677926
Energy: 1.6011771702591073
Energy: 1.6437805881614125
Energy: 1.7256077809213297
Energy: 1.6266440637859512
Energy: 1.618075140710927
Energy: 1.6268150881121455
Energy: 1.725607780923698
Energy: 1.6266440637892663
Energy: 1.533924588789112
Energy: 1.5792190220864162
Energy: 1.4652479342179259
Energy: 1.5384633760316
Energy: 1.4651482889817078
Energy: 1.579219022084048
Energy: 1.4652479342188731
Energy: 1.538463376028758
Energy: 1.7254972173339718
Energy: 1.6268411057125733
Energy: 1.6265766679396296
Energy: 1.6267311097925523
Energy: 1.7254972173320775
Energy: 1.6268411057163628
Energy: 1.6265766679372613
Energy: 1.57992553748258
Energy: 1.577492461313796
Energy: 1.6437375363128353
Energy: 1.6011548885399696
Energy: 1.5799255374821064
Energy: 1.5774924613156902
Energy: 1.6437375363246332
Energy: 1.629406386486068
Energy: 1.6270321990776755
Energy: 1.4965976880861418
Energy: 1.6264741509117562
Energy: 1.6294063864846466
Energy: 1.6270321990634662
Energy: 1.498755281517034
Energy: 1.5796812350700125
Energy: 1.5760509426156646
Energy: 1.4526409307576922
Energy: 1.6035827186567462
Energy: 1.579681235072381
Energy: 1.5760509426142437
Energy: 1.4526409307557973
Energy: 1.5969002495042712
Energy: 1.62687166637092
Energy: 1.4982666326509961
Energy: 1.4869834266609492
Energy: 1.5969002495075868
Energy: 1.6268716663713936
Energy: 1.4982666326543115
Energy: 1.5805939152703876
Energy: 1.600870899401031
Energy: 1.4527921181484424
Energy: 1.6007575116592236
Energy: 1.5805939152651776
Energy: 1.600870899400084
Energy: 1.4527921181380221
Energy: 1.596887308250337
Energy: 1.6260231213171619
Energy: 1.6895970723604639
Energy: 1.6259071003331815
Energy: 1.596887308247495
Energy: 1.6260231213247403
Energy: 1.6895970723580955
Energy: 1.580647744157107
Energy: 1.6007848361111034
Energy: 1.4526906695982151
Energy: 1.600845592972855
Energy: 1.5806477441443185
Energy: 1.600784836107788
Energy: 1.4526906695991626

minimum gb energy = 1.452640930753903 eV
minimum distance =  2.29832314594747 Angstroms
sigma value = 21


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

Energy: 1.674920771854683
Energy: 1.5666005313210773
Energy: 1.5478594492011208
Energy: 1.5665637484719324
Energy: 1.6749207718512333
Energy: 1.5666005313205023
Energy: 1.5694187243706939
Energy: 1.6649698860676216
Energy: 1.56022416771241
Energy: 1.4084991196785543
Energy: 1.5603065277184696
Energy: 1.6649698860664717
Energy: 1.5602241677112862
Energy: 1.4084991196762544
Energy: 1.6753716545615942
Energy: 1.5341277464084597
Energy: 1.516328493823992
Energy: 1.5734452916500985
Energy: 1.6753716545656192
Energy: 1.5341277464153593
Energy: 1.5163284938234172
Energy: 1.67075057084878
Energy: 1.5693660904075937
Energy: 1.4948274461385476
Energy: 1.560206870288673
Energy: 1.6707505708539547
Energy: 1.5693660904144933
Energy: 1.4948274461391227
Energy: 1.583505649164149
Energy: 1.4957497329360014
Energy: 1.5675433432154398
Energy: 1.4951985321260577
Energy: 1.583505649164149
Energy: 1.4957497329400264
Energy: 1.551439903703105
Energy: 1.6706511793942709
Energy: 1.49996773656576
Energy: 1.687709371414403
Energy: 1.5610316527873145
Energy: 1.6706511793977206
Energy: 1.49996773656576
Energy: 1.687709371416128
Energy: 1.6308379927444696
Energy: 1.49595386022566
Energy: 1.567445108262408
Energy: 1.596286169632222
Energy: 1.6308379927433196
Energy: 1.4959538602291098
Energy: 1.6003082729394438
Energy: 1.6211320889829817
Energy: 1.5716457404438187
Energy: 1.6877222004110641
Energy: 1.5611758392914261
Energy: 1.6211320889824066
Energy: 1.5716457404443935
Energy: 1.6877222004058892
Energy: 1.63130671371321
Energy: 1.560741070269608
Energy: 1.5432535706917074
Energy: 1.5910322308544442
Energy: 1.631306713716085
Energy: 1.560741070271333
Energy: 1.5432535706945822
Energy: 1.6306570612883162
Energy: 1.582188642649918
Energy: 1.4745072293711066
Energy: 1.5605892628151932
Energy: 1.6306570612877413
Energy: 1.5821886426441685
Energy: 1.4745072293716814
Energy: 1.6958124224240332
Energy: 1.573096700671793
Energy: 1.6123307001643077
Energy: 1.5706117072037773
Energy: 1.6958124224223086
Energy: 1.5730967006700682
Energy: 1.6102230239511337
Energy: 1.490770442246604
Energy: 1.5817920645026502
Energy: 1.495074098168543
Energy: 1.4930170525899422
Energy: 1.490770442248329
Energy: 1.58179206450725
Energy: 1.4950740981702682
Energy: 1.6893279656957556
Energy: 1.5723143643991726
Energy: 1.6361913563103225
Energy: 1.5592745891600297
Energy: 1.6893279656969056
Energy: 1.5723143644014725
Energy: 1.5677578935435057
Energy: 1.4906698144819241
Energy: 1.5814783560502266
Energy: 1.5725010915839606
Energy: 1.4939110363050432
Energy: 1.4906698144738744
Energy: 1.5814783560496515
Energy: 1.5725010915799356
Energy: 1.6685621971579914
Energy: 1.5134645119209633
Energy: 1.4634143617759279
Energy: 1.5602457575611708
Energy: 1.6685621971551161
Energy: 1.5134645119203882
Energy: 1.4634143617759279
Energy: 1.4912942633025945
Energy: 1.6244146669708692
Energy: 1.555547467985613
Energy: 1.5786084691335873
Energy: 1.4912942633066195
Energy: 1.6244146669708692
Energy: 1.5555474679833128
Energy: 1.6685900052460543
Energy: 1.5135028701170383
Energy: 1.6172369475538761
Energy: 1.560220129200473
Energy: 1.6685900052483544
Energy: 1.5135028701187374
Energy: 1.6172369475584762
Energy: 1.491362042119285
Energy: 1.5798502772317153
Energy: 1.5538040899444365
Energy: 1.6972914673267612
Energy: 1.4913620421164102
Energy: 1.5798502772328653
Energy: 1.5538040899450116
Energy: 1.675179911724484
Energy: 1.513397280222365
Energy: 1.6907951010340756
Energy: 1.5601889978785886
Energy: 1.6751799117256339
Energy: 1.5133972802240898
Energy: 1.6907951010352256
Energy: 1.4913677648183055
Energy: 1.6520504014440254
Energy: 1.5354287478552346
Energy: 1.6519042299126319
Energy: 1.4913677648194554
Energy: 1.6520504014509247
Energy: 1.5354287478581097
Energy: 1.6752319462122751
Energy: 1.5602839495466805
Energy: 1.690691403044615
Energy: 1.513544925058929
Energy: 1.67523194621055
Energy: 1.5602839495518293
Energy: 1.69069140304519
Energy: 1.4913455203860426
Energy: 1.6974319252132917
Energy: 1.5537919346810058
Energy: 1.5797512413481511
Energy: 1.491345520380293
Energy: 1.6974319252173162
Energy: 1.553791934678706
Energy: 1.6685608196882302
Energy: 1.5603190306998407
Energy: 1.6526925838697974
Energy: 1.5134120523312937
Energy: 1.668560819693954
Energy: 1.5603190307015653
Energy: 1.6526925838715227
Energy: 1.4912207999225235
Energy: 1.5785127427175445
Energy: 1.5558861823455814
Energy: 1.6258902539935205
Energy: 1.4912207999236737
Energy: 1.5785127427204195
Energy: 1.5558861823455814
Energy: 1.6685237963026733
Energy: 1.5601650823220847
Energy: 1.4994604681262884
Energy: 1.5134176157733072
Energy: 1.6685237963055224
Energy: 1.5601650823226596
Energy: 1.4994604681216885

minimum gb energy = 1.4084991196762544 eV
minimum distance =  2.33510305223575 Angstroms
sigma value = 113


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

Energy: 1.5013857356167577
Energy: 1.554408663415044
Energy: 1.4426097001282914
Energy: 1.590324201066064
Energy: 1.5013857356167577
Energy: 1.554408663411835
Energy: 1.4965568189886653
Energy: 1.6186016888774721
Energy: 1.559466479334804
Energy: 1.414899997574279
Energy: 1.5487888039852045
Energy: 1.6186016888806811
Energy: 1.5594664793283861
Energy: 1.4148999975710703
Energy: 1.4697844581185873
Energy: 1.5042421563170145
Energy: 1.4694986107589696
Energy: 1.5253804815899175
Energy: 1.4697844581153785
Energy: 1.5042421563105968
Energy: 1.4364600998518873
Energy: 1.4811247580542615
Energy: 1.5215971705268851
Energy: 1.4252197842302061
Energy: 1.5174614903913817
Energy: 1.481124758070306
Energy: 1.521597170523676
Energy: 1.4252197841916987
Energy: 1.462423701960225
Energy: 1.439146636794234
Energy: 1.4429975335095684
Energy: 1.4353292366299626
Energy: 1.462423701966643
Energy: 1.4391466368006518
Energy: 1.4380034182363308
Energy: 1.4390876515435698
Energy: 1.4671064721208802
Energy: 1.5071388191685633
Energy: 1.4824221504320476
Energy: 1.4390876515435698
Energy: 1.4671064721272982
Energy: 1.5071388191685633
Energy: 1.449023709912959
Energy: 1.439385534997989
Energy: 1.5024626361886555
Energy: 1.4331566731882093
Energy: 1.449023709922586
Energy: 1.4393855349947797
Energy: 1.4122183014603227
Energy: 1.4314581704272535
Energy: 1.4787971348186826
Energy: 1.4625948458976752
Energy: 1.4969682249967389
Energy: 1.431458170414418
Energy: 1.4787971348218916
Energy: 1.4625948459265556
Energy: 1.4378281562966029
Energy: 1.4573204215352356
Energy: 1.5588715753451063
Energy: 1.432472973398172
Energy: 1.4378281562966029
Energy: 1.4573204215352356
Energy: 1.558871575361151
Energy: 1.4328364488061662
Energy: 1.4758474529104333
Energy: 1.5083768734460745
Energy: 1.4851369464767068
Energy: 1.432836448809375
Energy: 1.4758474529040155
Energy: 1.5083768734717462
Energy: 1.4377825230781847
Energy: 1.4827118394128764
Energy: 1.4853137358422865
Energy: 1.4481069978677181
Energy: 1.4377825230717671
Energy: 1.4827118394160854
Energy: 1.5090407891447384
Energy: 1.4532229764984819
Energy: 1.4830608629954731
Energy: 1.4858649862484852
Energy: 1.4687455393248336
Energy: 1.4532229764952729
Energy: 1.483060863008309
Energy: 1.485864986283725
Energy: 1.4380012230346122
Energy: 1.485333160406121
Energy: 1.461238704881269
Energy: 1.4724888116820276
Energy: 1.4380012230378212
Energy: 1.4853331603869255
Energy: 1.4894774430856115
Energy: 1.4756859686895738
Energy: 1.53408235744619
Energy: 1.489260128240777
Energy: 1.497696609718642
Energy: 1.4756859686895738
Energy: 1.534082357439772
Energy: 1.4892601282183142
Energy: 1.4376880336556408
Energy: 1.4622724047467195
Energy: 1.5245309259967965
Energy: 1.501687003168319
Energy: 1.437688033646014
Energy: 1.4622724047499287
Energy: 1.5250479014016405
Energy: 1.4757153423752924
Energy: 1.4841565381362123
Energy: 1.4885785665187337
Energy: 1.459158717287797
Energy: 1.4757153423720832
Energy: 1.4841565381265855
Energy: 1.4885785665251516
Energy: 1.4743475509635935
Energy: 1.4847854812984365
Energy: 1.5604813571112754
Energy: 1.4600850517373734
Energy: 1.4743475509571753
Energy: 1.4847854813080632
Energy: 1.5587335300437541
Energy: 1.4509128241759195
Energy: 1.4587929963598636
Energy: 1.4881622715290366
Energy: 1.4427993882541315
Energy: 1.4509128241791283
Energy: 1.4587929963566548
Energy: 1.4881622715322453
Energy: 1.4742718075873988
Energy: 1.4584014721179241
Energy: 1.4418628831121711
Energy: 1.4388084857675632
Energy: 1.4742718075873988
Energy: 1.4584014721050884
Energy: 1.470226909547929
Energy: 1.431196929749689
Energy: 1.465781325427982
Energy: 1.4869778168946426
Energy: 1.4580328017519693
Energy: 1.4311969297689426
Energy: 1.465781325424773
Energy: 1.4869778169074785
Energy: 1.4725787418723648
Energy: 1.4547554735410986
Energy: 1.4655791271594862
Energy: 1.4403741861451242
Energy: 1.472578741862738
Energy: 1.4547554735507253
Energy: 1.4795000922935395
Energy: 1.4314042003439713
Energy: 1.4564626440030588
Energy: 1.4263455394482583
Energy: 1.4568619799162308
Energy: 1.4314042003439713
Energy: 1.4564626440030588
Energy: 1.4263455394482583
Energy: 1.47212048252066
Energy: 1.5043901759374598
Energy: 1.530076497456338
Energy: 1.4664403794346954
Energy: 1.4721204825142422
Energy: 1.5043901759470868
Energy: 1.5300764974595467
Energy: 1.4335729829448236
Energy: 1.4796568060540012
Energy: 1.5263088163664986
Energy: 1.4157691940747743
Energy: 1.4335729829544501
Energy: 1.4796568060604192
Energy: 1.5263088163697074
Energy: 1.533143919497717
Energy: 1.5438115990666919
Energy: 1.4745397846495725
Energy: 1.5586658870225993
Energy: 1.533143919494508
Energy: 1.5438115990763186
Energy: 1.4745397846431545
Energy: 1.4618686569810053
Energy: 1.464015915507646
Energy: 1.53864364638515
Energy: 1.4170394935597816
Energy: 1.4618686569713784
Energy: 1.4640159155012282
Energy: 1.5386436464011948
Energy: 1.6796371843483409
Energy: 1.5436792930275918
Energy: 1.4819554842155231
Energy: 1.5725248523866804
Energy: 1.6796371843451323
Energy: 1.5436792930275918
Energy: 1.4819554842155231
Energy: 1.4803523572057293
Energy: 1.4798185549611365
Energy: 1.5453070591187426
Energy: 1.52696515320991
Energy: 1.480352357208938
Energy: 1.4798185549739722
Energy: 1.5453070591251603
Energy: 1.679386954567006
Energy: 1.5438812199916279
Energy: 1.442366957872171
Energy: 1.577833568988453
Energy: 1.679386954563797
Energy: 1.543881219988419
Energy: 1.4423669578497083
Energy: 1.4616788228927449
Energy: 1.4628155056701182
Energy: 1.5437055193577955
Energy: 1.4172489226701466
Energy: 1.4616788228863273
Energy: 1.462815505686163
Energy: 1.5437055193577955
Energy: 1.5325633125198548
Energy: 1.5479211180166983
Energy: 1.5035172121399645
Energy: 1.5576824887225347
Energy: 1.5325633125198548
Energy: 1.547921118029534
Energy: 1.5035172121431735
Energy: 1.4812290831530208
Energy: 1.4448173232046835
Energy: 1.4669091772501586
Energy: 1.4531843864843204
Energy: 1.4812290831626476
Energy: 1.4448173232078922
Energy: 1.4669091772373812
Energy: 1.4965709568520065
Energy: 1.5035881756463214
Energy: 1.5114036281381165
Energy: 1.459331932238454
Energy: 1.4965709568455885
Energy: 1.5035881756302762
Energy: 1.5114036281316985
Energy: 1.493493487570623
Energy: 1.4417647587652287
Energy: 1.5182398957876968
Energy: 1.467539311679215
Energy: 1.4934934875674142
Energy: 1.4417647587620197
Energy: 1.5182398957941148
Energy: 1.4952679840165224
Energy: 1.4475198297079699
Energy: 1.5483367817351217
Energy: 1.4649686303857434
Energy: 1.4952679840133136
Energy: 1.4475198297047607
Energy: 1.5483367817511664
Energy: 1.495659957101755
Energy: 1.4547271614954747
Energy: 1.5265593315845973
Energy: 1.4813327556811724
Energy: 1.495659957101755
Energy: 1.4547271614954747
Energy: 1.5265593315813883
Energy: 1.4952477111302152
Energy: 1.5056782991982793
Energy: 1.4576008763096628
Energy: 1.4594102905478314
Energy: 1.4952477111270062
Energy: 1.5056782991886528
Energy: 1.4576008763128718
Energy: 1.4937722495188648
Energy: 1.4537758472284594
Energy: 1.4916125108486995
Energy: 1.4673528621685632
Energy: 1.493772249525283
Energy: 1.4537758472252507
Energy: 1.491612510845491
Energy: 1.5408506249594436
Energy: 1.504553712283217
Energy: 1.5238201240271223
Energy: 1.4533603095055332
Energy: 1.5408506249658613
Energy: 1.5045537122864259
Energy: 1.5238201240303313
Energy: 1.493151491812808
Energy: 1.4719699171852298
Energy: 1.4856064307748358
Energy: 1.447305155414833
Energy: 1.4931514918224347
Energy: 1.471969917182021
Energy: 1.4856064307748358
Energy: 1.5533257696759106
Energy: 1.4536847469221956
Energy: 1.4956132235341049
Energy: 1.4541578454239905
Energy: 1.5533257696759106
Energy: 1.4536847469157776
Energy: 1.49561322351806
Energy: 1.4931958662789664
Energy: 1.427035732930612
Energy: 1.526088391328809
Energy: 1.4617900231752963
Energy: 1.4931958662757574
Energy: 1.4270357329209853
Energy: 1.526088391335227
Energy: 1.5145364746151844
Energy: 1.454141184464108
Energy: 1.481430367234775
Energy: 1.4722261610683651
Energy: 1.5145364746216021
Energy: 1.4541411844705254
Energy: 1.4814303672315663
Energy: 1.4886041906908927
Energy: 1.4762431541552223
Energy: 1.4985627693312746
Energy: 1.4589672914460914
Energy: 1.4886041906941017
Energy: 1.4762431541488046
Energy: 1.4985627693344836
Energy: 1.4513892649672795
Energy: 1.4574977955188908
Energy: 1.4818915397258057
Energy: 1.4587301863635895
Energy: 1.4513892649608617
Energy: 1.4574977955220998
Energy: 1.4818915397290149

minimum gb energy = 1.4122183014603227 eV
minimum distance =  2.28473039079147 Angstroms
sigma value = 365


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

Energy: 1.3762699088062722
Energy: 1.1825817824239246
Energy: 1.556504890247257
Energy: 1.1825817824217542
Energy: 1.3762699088055488
Energy: 1.1825817824232012
Energy: 1.382019997367807
Energy: 1.3762699088019315
Energy: 1.1825817824195837
Energy: 1.8801861831195237
Energy: 1.1825817824239246
Energy: 1.3762699088019315
Energy: 1.1825817824239246
Energy: 1.4883186946046774
Energy: 1.3762699088069958
Energy: 1.1825817824260951
Energy: 1.4963674612368623
Energy: 1.1825817824239246
Energy: 1.3762699088055488
Energy: 1.1825817824217542
Energy: 1.4883186946046774
Energy: 1.3762699088026549
Energy: 1.1825817824239246
Energy: 1.3747231464324567
Energy: 1.1825817824239246
Energy: 1.376269908808443
Energy: 1.1825817824224776
Energy: 1.3820199973670833
Energy: 1.3762699088055488
Energy: 1.1825817824210307
Energy: 1.4681746397456448
Energy: 1.1825817824232012
Energy: 1.3762699088019315
Energy: 1.1825817824268186
Energy: 1.4929644678117677
Energy: 1.3762699088069958
Energy: 1.1825817824268186
Energy: 1.5312798148062883
Energy: 1.1825817824239246
Energy: 1.3762699088048251
Energy: 1.1825817824232012
Energy: 1.4883186946061244
Energy: 1.3762699088041017
Energy: 1.1825817824232012
Energy: 1.2866306648849466
Energy: 1.1825817824232012
Energy: 1.3762699088041017
Energy: 1.1825817824246483
Energy: 1.382019997369254
Energy: 1.3762699088012078
Energy: 1.1825817824210307
Energy: 1.3463856519090993
Energy: 1.1825817824232012
Energy: 1.3762699088062722
Energy: 1.182581782427542
Energy: 1.5833888380580106
Energy: 1.3762699088026549
Energy: 1.1825817824253717
Energy: 1.5170708041155652
Energy: 1.1825817824260951
Energy: 1.3762699088026549
Energy: 1.1825817824217542
Energy: 1.4929644678124911
Energy: 1.3762699088004844
Energy: 1.1825817824224776
Energy: 1.2338460687413422
Energy: 1.1825817824224776
Energy: 1.3762699088033785
Energy: 1.1825817824232012
Energy: 1.382019997367807
Energy: 1.3762699088062722
Energy: 1.1825817824210307
Energy: 1.507020592240654
Energy: 1.1825817824217542
Energy: 1.3762699088048251
Energy: 1.1825817824268186
Energy: 1.0118790665974016
Energy: 1.3762699088033785
Energy: 1.1825817824246483
Energy: 1.4883186946039535
Energy: 1.1825817824239246
Energy: 1.3762699088026549
Energy: 1.1825817824239246
Energy: 1.4929644678124911
Energy: 1.376269908798314
Energy: 1.1825817824239246
Energy: 1.493194584359816
Energy: 1.1825817824239246
Energy: 1.3762699088033785
Energy: 1.1825817824239246
Energy: 1.382019997367807
Energy: 1.3762699088069958
Energy: 1.1825817824210307
Energy: 1.382019997367807
Energy: 1.1825817824239246
Energy: 1.3762699088062722
Energy: 1.1825817824246483
Energy: 1.2329606042528025
Energy: 1.376269908809166
Energy: 1.1825817824260951
Energy: 1.382019997369254
Energy: 1.1825817824260951
Energy: 1.3762699088019315
Energy: 1.1825817824217542
Energy: 1.4883186946032303
Energy: 1.3762699087946964
Energy: 1.1825817824253717
Energy: 1.382019997363466
Energy: 1.1825817824224776
Energy: 1.3762699088004844
Energy: 1.1825817824239246
Energy: 1.3820199973656366
Energy: 1.3762699088106132
Energy: 1.1825817824210307
Energy: 1.3820199973685303
Energy: 1.1825817824224776
Energy: 1.3762699088062722
Energy: 1.1825817824232012
Energy: 1.4929644678117677
Energy: 1.3762699088077193
Energy: 1.1825817824232012
Energy: 1.3820199973670833
Energy: 1.1825817824239246
Energy: 1.3762699088069958
Energy: 1.1825817824224776
Energy: 1.3820199973663598
Energy: 1.3762699087968668
Energy: 1.1825817824224776
Energy: 1.3820199973641896
Energy: 1.1825817824210307
Energy: 1.3762699088012078
Energy: 1.1825817824210307
Energy: 1.382019997367807
Energy: 1.3762699088069958
Energy: 1.1825817824210307
Energy: 1.3820199973649128
Energy: 1.1825817824224776
Energy: 1.3762699088041017
Energy: 1.1825817824253717
Energy: 1.382019997360572

minimum gb energy = 1.0118790665974016 eV
minimum distance =  2.4100057860618 Angstroms
sigma value = 23