Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978306984
mass=58.6934
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: 0.020522606111444634
Energy: 0.5149114027182383
Energy: 0.5149114027182383
Energy: 0.020522606111444634
Energy: 0.5149114027182383
Energy: 0.5149114027182383
Energy: 0.020522606111444634
Energy: 0.5149114027182383
Energy: 0.5149114027182383
Energy: 0.020522606111444634
Energy: 0.5120357733442208
Energy: 0.0240722641380913
Energy: 0.5124626735869849
Energy: 0.5120357733457442
Energy: 0.024072264136567916
Energy: 0.5124626735869849
Energy: 0.5120357733442208
Energy: 0.024072264136567916
Energy: 0.5124626735869849
Energy: 0.5120357733457442
Energy: 1.0702249241271373
Energy: 0.25061526306621756
Energy: 1.0566006083823194
Energy: 1.5645343234571212
Energy: 0.021006256224124786
Energy: 1.0566006083823194
Energy: 1.7859392037994566
Energy: 0.021006256224124786
Energy: 1.0566006083823194
Energy: 1.6198200467167154
Energy: 0.5120357733442208
Energy: 0.5124626735869849
Energy: 0.024072264136567916
Energy: 0.5120357733442208
Energy: 0.5124626735869849
Energy: 0.024072264136567916
Energy: 0.5120357733442208
Energy: 0.5124626735869849
Energy: 0.0240722641380913
Energy: 0.5120357733442208
Energy: 0.020522606111444634
Energy: 0.5149114027197617
Energy: 0.5149114027182383
Energy: 0.020522606111444634
Energy: 0.5149114027182383
Energy: 0.5149114027182383
Energy: 0.020522606111444634
Energy: 0.5149114027182383
Energy: 0.5149114027197617
Energy: 0.020522606111444634
Energy: 0.5120357733442208
Energy: 0.0240722641380913
Energy: 0.5124626735869849
Energy: 0.5120357733442208
Energy: 0.024072264136567916
Energy: 0.5124626735869849
Energy: 0.5120357733442208
Energy: 0.024072264136567916
Energy: 0.5124626735869849
Energy: 0.5120357733442208
Energy: 1.254715172728625
Energy: 0.021006256224124786
Energy: 0.3115643791119816
Energy: 1.2547266487370927
Energy: 0.021006256224124786
Energy: 0.3115643791119816
Energy: 1.2547136380895918
Energy: 0.02100625622564817
Energy: 0.3115643791119816
Energy: 1.2548247944015376

minimum gb energy = 0.020522606111444634 eV
minimum distance =  2.28640439596764 Angstroms
sigma value = 3


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

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Energy: 1.6720169378193062
Energy: 1.6725701637430843
Energy: 1.3887188362407745
Energy: 1.6720169378193062
Energy: 1.6725701637430843
Energy: 1.476663271127088
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Energy: 1.6725701637430843
Energy: 1.3887188362407745
Energy: 1.4845432369955291
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Energy: 1.6460890671316202
Energy: 1.4845432367605798
Energy: 1.6135908456540815
Energy: 1.776268153304127
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Energy: 1.5507146232535862
Energy: 1.670032929242113
Energy: 1.6729124228449512
Energy: 1.3367030969278448
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Energy: 1.6729124228449512
Energy: 1.3367030969278448
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Energy: 1.6049962004136022
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Energy: 1.657889368764231
Energy: 1.3368958318472022
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Energy: 1.4174960963311087
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Energy: 1.6754976933256573
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Energy: 1.6225634338663821
Energy: 1.452345900389513
Energy: 1.7509371240203457
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Energy: 1.3435733814288828
Energy: 1.7646709829836005
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Energy: 1.747977748320706
Energy: 1.7690075605686535
Energy: 1.276450323309126
Energy: 1.7484736656014968
Energy: 1.815123015868715
Energy: 1.2764503233128572
Energy: 1.7479777483169743
Energy: 1.769007560564922
Energy: 1.2764503233128572
Energy: 1.655509193891273
Energy: 1.3369166485097894
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Energy: 1.655509193891273
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Energy: 1.719713629569879
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Energy: 1.719713629569879
Energy: 1.5993323310684582
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Energy: 1.719713629569879
Energy: 1.5993323310684582
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Energy: 1.444121629843066
Energy: 1.6274083249256832
Energy: 1.4131122379010317
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Energy: 1.4166950180454212
Energy: 1.444121629843066
Energy: 1.6274083249256832
Energy: 1.4131122378973002
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Energy: 1.4527523693907274
Energy: 1.6720169378193062
Energy: 1.6725701637430843
Energy: 1.394974954590036
Energy: 1.6720169378193062
Energy: 1.6725701637468158
Energy: 1.4527523693981903
Energy: 1.6720169378155745
Energy: 1.6725701637393529
Energy: 1.394974954590036
Energy: 1.484543236174936
Energy: 1.4173753982729138
Energy: 1.6460890671353519
Energy: 1.48454323654422
Energy: 1.4173753982691821
Energy: 1.6460890671316202
Energy: 1.4845432362085196
Energy: 1.4173753982691821
Energy: 1.6460890671316202
Energy: 1.4845432369507512
Energy: 1.610875638874652
Energy: 1.776268153304127
Energy: 1.7190052278561072
Energy: 1.5958017034750736
Energy: 1.776268153304127
Energy: 1.7190052278523758
Energy: 1.6108756388709204
Energy: 1.776268153304127
Energy: 1.7190052278561072
Energy: 1.5958017034750736
Energy: 1.670032929242113
Energy: 1.6729124228449512
Energy: 1.3367030969315765
Energy: 1.6700329292383815
Energy: 1.6729124228449512
Energy: 1.3367030969278448
Energy: 1.6700329292383815
Energy: 1.6729124228449512
Energy: 1.3367030969278448
Energy: 1.6700329292346499

minimum gb energy = 1.2761862616371282 eV
minimum distance =  2.22006980859707 Angstroms
sigma value = 75


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

Energy: 1.6319226705708973
Energy: 1.351870309700242
Energy: 1.3506081184699739
Energy: 1.5402023176135469
Energy: 1.3518703097020628
Energy: 1.350608118468153
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minimum gb energy = 1.3383221299759342 eV
minimum distance =  2.21396544570276 Angstroms
sigma value = 105


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

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Energy: 1.6536252644296057
Energy: 1.5373306879303368
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Energy: 1.7780124925030052
Energy: 1.626070989952468
Energy: 1.6630935637251878
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Energy: 1.7765826718591202
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Energy: 1.6748583980001817
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Energy: 1.6041856779482921
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Energy: 1.6758588542303912
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Energy: 1.5765193705385556
Energy: 1.4597676316679424
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Energy: 1.6954584018933405
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Energy: 1.6250879655862513
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Energy: 1.6954584018728367
Energy: 1.5161841824323434
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Energy: 1.6954584018728367
Energy: 1.5917108284041515
Energy: 1.6187064472531334
Energy: 1.6513066027105225
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Energy: 1.6187064472572417
Energy: 1.6513066027125765
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Energy: 1.6187064472551875
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Energy: 1.621528921757074
Energy: 1.6219860417848104
Energy: 1.4788655173565357
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Energy: 1.6722154989980147
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Energy: 1.6267589316523843
Energy: 1.6482032152981503
Energy: 1.6876844663004793
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Energy: 1.6482032153022583
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Energy: 1.6267589316544384
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Energy: 1.6876844663045876
Energy: 1.6267589316544384
Energy: 1.6595662199699612
Energy: 1.6448104019337877
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Energy: 1.6448104019358418
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Energy: 1.5353830809191737
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Energy: 1.6680366265336248
Energy: 1.535383080923282
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Energy: 1.5353830809191737
Energy: 1.6562470424588216
Energy: 1.6525820081712583
Energy: 1.5925813786486296
Energy: 1.6604717898497212
Energy: 1.6525820081733127
Energy: 1.5925813786486296
Energy: 1.6604717898497212
Energy: 1.6525820081733127
Energy: 1.5925813786465755
Energy: 1.6604717898538293
Energy: 1.6525820081712583
Energy: 1.5952672436790656
Energy: 1.6221332921066067
Energy: 1.6227140584503539
Energy: 1.5952672436790656
Energy: 1.6221332921066067
Energy: 1.6227140584503539
Energy: 1.5952672436790656
Energy: 1.6221332921066067
Energy: 1.622714058452408
Energy: 1.5952672436790656
Energy: 1.58428915006751
Energy: 1.6450672444507024
Energy: 1.6171293212411428
Energy: 1.58428915006751
Energy: 1.6387447763025558
Energy: 1.6171293212390885
Energy: 1.58428915006751
Energy: 1.6450672444507024
Energy: 1.617129321232926
Energy: 1.58428915006751
Energy: 1.8850822676183139
Energy: 1.644561651559372
Energy: 1.6777310636514555
Energy: 1.8850822676183139
Energy: 1.6445656744003365
Energy: 1.6777310636514555
Energy: 1.8850822676183139
Energy: 1.6445616515573178
Energy: 1.6777310636494014
Energy: 1.88508226761626
Energy: 1.502282830348374
Energy: 1.6246274053016703
Energy: 1.4975372501986268
Energy: 1.502282830348374
Energy: 1.6246274053016703
Energy: 1.4975372501986268
Energy: 1.5022828303463196
Energy: 1.624627405299616
Energy: 1.4975372501986268
Energy: 1.5022828303463196
Energy: 1.6711623551208739
Energy: 1.7643872143975314
Energy: 1.6148531257563048
Energy: 1.6711623551208739
Energy: 1.7638810309083601
Energy: 1.614853125758359
Energy: 1.6711623551229282
Energy: 1.7643872143995858
Energy: 1.6148531257563048
Energy: 1.6711623551208739
Energy: 1.6627696259870042
Energy: 1.6776356799550565
Energy: 1.6763247447158984
Energy: 1.6627696259870042
Energy: 1.6830735147323626
Energy: 1.6763247447158984
Energy: 1.6627696259870042
Energy: 1.6776356799591647
Energy: 1.6763247447179526
Energy: 1.6627696259890583
Energy: 1.6541641988950297
Energy: 1.537042697057004
Energy: 1.6550887606059559
Energy: 1.6541641988929756
Energy: 1.5370466026859222
Energy: 1.6550887606039018
Energy: 1.6541641988950297
Energy: 1.537042697057004
Energy: 1.6550887606039018
Energy: 1.6541641988929756

minimum gb energy = 1.4597676316679424 eV
minimum distance =  2.18141983714222 Angstroms
sigma value = 165


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

Energy: 1.4816957373198116
Energy: 1.6051175011084666
Energy: 1.6034076448013805
Energy: 1.4258991103194076
Energy: 1.605117501109172
Energy: 1.6034076447781094
Energy: 1.4816957373191064
Energy: 1.605117501109172
Energy: 1.603407644787982
Energy: 1.4258991103194076
Energy: 1.6714176690456972
Energy: 1.4234792522803328
Energy: 1.695965957450542
Energy: 1.671417669044992
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Energy: 1.695965957450542
Energy: 1.6714176690456972
Energy: 1.4234792522789224
Energy: 1.695965957449132
Energy: 1.6714176690471074
Energy: 1.5433252371125685
Energy: 1.6216472328760412
Energy: 1.435419870503429
Energy: 1.5433252371132737
Energy: 1.6216472328760412
Energy: 1.4356083082591868
Energy: 1.543325237111863
Energy: 1.6216472328767464
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Energy: 1.5433252371125685
Energy: 1.7081895638855862
Energy: 1.7584430638522446
Energy: 1.4442972658832256
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Energy: 1.7081895638869964
Energy: 1.5982375389536485
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Energy: 1.6223440013504928
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Energy: 1.6223440013504928
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Energy: 1.5982375389557641
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Energy: 1.7040982237934765
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Energy: 1.5782947370120164
Energy: 1.5769336672330245
Energy: 1.6824441724580816
Energy: 1.611230864198831
Energy: 1.7313508002374984
Energy: 1.5960409802792233
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Energy: 1.7313508002367932
Energy: 1.5959923106424452
Energy: 1.6112308641981257
Energy: 1.7313508002389089
Energy: 1.596040980278518
Energy: 1.611230864198831
Energy: 1.542312172492401
Energy: 1.7042326701040023
Energy: 1.7788240888572011
Energy: 1.487039659321936
Energy: 1.7042326701068229
Energy: 1.778824088857906
Energy: 1.542312172492401
Energy: 1.7042326701047075
Energy: 1.7788240888593165
Energy: 1.487039659321936
Energy: 1.557324175956553
Energy: 1.5364153079916538
Energy: 1.7345325795406714
Energy: 1.5350595517684757
Energy: 1.5364153079916538
Energy: 1.6385256870510718
Energy: 1.5573241759551426
Energy: 1.5364153079916538
Energy: 1.734532579542082
Energy: 1.5350595517677703
Energy: 1.7020592567503012
Energy: 1.4445955810533684
Energy: 1.7029660741045352
Energy: 1.7020592567510062
Energy: 1.4445955810533684
Energy: 1.7029660741066506
Energy: 1.7020592567524166
Energy: 1.4445955810533684
Energy: 1.7029660741045352
Energy: 1.7020592567510062
Energy: 1.5972358780389633
Energy: 1.4346711263647447
Energy: 1.6347103943627432
Energy: 1.5972358780403737
Energy: 1.4346711263668601
Energy: 1.6347103943648587
Energy: 1.5972358780389633
Energy: 1.4346711263640393
Energy: 1.6347103943620378
Energy: 1.5972358780389633
Energy: 1.6078069275788152
Energy: 1.6094458344900524
Energy: 1.423584868882341
Energy: 1.6078069275795204
Energy: 1.6094458344907574
Energy: 1.423584868882341
Energy: 1.6078069275788152
Energy: 1.6094458344893472
Energy: 1.4235848688802255
Energy: 1.6078069275795204
Energy: 1.4258991103194076
Energy: 1.6051175011084666
Energy: 1.6034076447844559
Energy: 1.4258991103201129
Energy: 1.6051175011084666
Energy: 1.6034076447745835
Energy: 1.4258991103194076
Energy: 1.605117501109172
Energy: 1.603407644802791
Energy: 1.4258991103201129

minimum gb energy = 1.4234240300729188 eV
minimum distance =  2.28262654042836 Angstroms
sigma value = 41


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

Energy: 1.4502743031464929
Energy: 1.4689124954789723
Energy: 1.4688965627268658
Energy: 1.4502743031464929
Energy: 1.4689124954789723
Energy: 1.4688965627268658
Energy: 1.4502743031464929
Energy: 1.4689124954789723
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Energy: 1.3584429295623688
Energy: 1.2555881010865373
Energy: 1.5913665927260474
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Energy: 1.358442929565105
Energy: 1.417080227572909
Energy: 1.3501083504575884
Energy: 1.3879646903227465
Energy: 1.439923125627988
Energy: 1.3501083504575884
Energy: 1.368096234695685
Energy: 1.426305545969142
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Energy: 1.320193959089504
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Energy: 1.280914642253288
Energy: 1.320193959089504
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Energy: 1.2809146422505517
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Energy: 1.623795689355445
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Energy: 1.3120940872095428
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Energy: 1.4599830841762178
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Energy: 1.459983084173482
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Energy: 1.4929031567983424
Energy: 1.6687273317476288
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Energy: 1.2854170401126037
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Energy: 1.497318485845666
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Energy: 1.3522658754201375
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Energy: 1.4437756216042101
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Energy: 1.49339908036732
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Energy: 1.5168335928831662
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Energy: 1.4956522527515566
Energy: 1.3605246036383822
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Energy: 1.3605246036411183
Energy: 1.2554835574623793
Energy: 1.2749476233484196
Energy: 1.2755113620630933
Energy: 1.281397547966127
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Energy: 1.356863643025944
Energy: 1.639837215234337
Energy: 1.2832252779565105
Energy: 1.356863643025944
Energy: 1.639837215237073
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Energy: 1.356863643025944
Energy: 1.639837215234337
Energy: 1.2832252779565105
Energy: 1.3568636430232077
Energy: 1.4598794141093037
Energy: 1.4698251711222943
Energy: 1.4928770711611097
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Energy: 1.4698251711250303
Energy: 1.4928770711638455
Energy: 1.4598794141093037
Energy: 1.4698251711222943
Energy: 1.4928770711638455
Energy: 1.4598794141093037
Energy: 1.3519331113802568
Energy: 1.457717235164895
Energy: 1.4239632445981865
Energy: 1.3519331113802568
Energy: 1.457717235164895
Energy: 1.4239632445981865
Energy: 1.3519331113802568
Energy: 1.457717235164895
Energy: 1.4239632445981865
Energy: 1.3519331113802568
Energy: 1.4016462393427578
Energy: 1.510173532322935
Energy: 1.2542197840458407
Energy: 1.4016462393427578
Energy: 1.510173532322935
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Energy: 1.510173532322935
Energy: 1.2542197840458407
Energy: 1.4016462393427578
Energy: 1.4671533599213735
Energy: 1.4634224273926415
Energy: 1.2553996502943254
Energy: 1.4671533599295816
Energy: 1.4634224281720754
Energy: 1.2553996502915892
Energy: 1.4671533599131654
Energy: 1.4634224271656466
Energy: 1.2553996502943254
Energy: 1.4671533599213735
Energy: 1.2858456859828302
Energy: 1.6230401991017478
Energy: 1.339885410742785
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Energy: 1.623040199104484
Energy: 1.339885410740049
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Energy: 1.6230401991017478
Energy: 1.339885410740049
Energy: 1.2858456859828302
Energy: 1.3549886811989582
Energy: 1.3168240336565855
Energy: 1.3198678158209023
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Energy: 1.316824033659321
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Energy: 1.3168240336565855
Energy: 1.3198678158209023
Energy: 1.3549886811989582
Energy: 1.404826088774509
Energy: 1.5125675034415313
Energy: 1.394743239756324
Energy: 1.404826088774509
Energy: 1.5125675034415313
Energy: 1.394743239756324
Energy: 1.404826088774509
Energy: 1.5125675034415313
Energy: 1.39474323975906
Energy: 1.404826088771773
Energy: 1.5900172406781654
Energy: 1.4601181748061334
Energy: 1.360079632246412
Energy: 1.5900172406754292
Energy: 1.4601181748061334
Energy: 1.360079632249148
Energy: 1.5900172406781654
Energy: 1.4601181748061334
Energy: 1.360079632246412
Energy: 1.5900172406754292
Energy: 1.4712553798325139
Energy: 1.34412221978527
Energy: 1.451356909495054
Energy: 1.4712553798297778
Energy: 1.3441222325598168
Energy: 1.451356909495054
Energy: 1.4712553798325139
Energy: 1.3441223163587548
Energy: 1.45135690949779
Energy: 1.4712553798297778
Energy: 1.256049242425694
Energy: 1.6233026828817445
Energy: 1.373789340422183
Energy: 1.256049242422958
Energy: 1.6233026828790085
Energy: 1.373789340422183
Energy: 1.256049242422958
Energy: 1.6233026828790085
Energy: 1.373789340422183
Energy: 1.256049242425694
Energy: 1.286596162995363
Energy: 1.2747924195270615
Energy: 1.2744141934130715
Energy: 1.286596162995363
Energy: 1.2747924195243254
Energy: 1.2744141934130715
Energy: 1.286596162995363
Energy: 1.2747924195243254
Energy: 1.2744141934130715
Energy: 1.286596162995363
Energy: 1.2752193520878827
Energy: 1.2830785604414345
Energy: 1.320054927725559
Energy: 1.2752193520960908
Energy: 1.2830785604414345
Energy: 1.3200549277228228
Energy: 1.2752193520878827
Energy: 1.2830785604414345
Energy: 1.3200549277228228
Energy: 1.2752193521125075
Energy: 1.654905643400755
Energy: 1.2809757850068286
Energy: 1.3776505981283906
Energy: 1.654905643400755
Energy: 1.2809757850068286
Energy: 1.3776505981229183
Energy: 1.654905643400755
Energy: 1.2809757850068286
Energy: 1.3776505981256546
Energy: 1.654905643400755
Energy: 1.465588338781563
Energy: 1.4225704912366417
Energy: 1.2581300550094705
Energy: 1.4655883397989358
Energy: 1.4225704912393775
Energy: 1.2581300550094705
Energy: 1.4655883394925948
Energy: 1.4225704912393775
Energy: 1.2581300550094705
Energy: 1.4655883389921411

minimum gb energy = 1.2541670876777697 eV
minimum distance =  2.21129041317325 Angstroms
sigma value = 185


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

Energy: 1.1502007192574257
Energy: 0.6938279857771706
Energy: 0.6940653156889761
Energy: 0.8483251263645137
Energy: 0.6938279857781157
Energy: 0.6940653156873227
Energy: 1.150200719255182
Energy: 0.6938279857787651
Energy: 0.6940653156896257
Energy: 0.8483251263645137
Energy: 1.0322428721777421
Energy: 0.6821166943879632
Energy: 0.9138039621754123
Energy: 0.965521281452506
Energy: 0.6821166943869593
Energy: 1.0264832164744884
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Energy: 0.9138039621783057
Energy: 0.9655212814486087
Energy: 0.8431753752452333
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Energy: 0.9141542632052762
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Energy: 0.8453548451620344
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Energy: 0.6947054648456045
Energy: 0.9113912255715834
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Energy: 1.0969458396255642
Energy: 0.694329369662079
Energy: 0.7241940433506772
Energy: 0.7922404883982499
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Energy: 0.7241940433503817
Energy: 0.790532769443576
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Energy: 1.019207910747815
Energy: 1.0105822352816505
Energy: 0.9590304309606849
Energy: 1.019207910750413
Energy: 1.1285740497907841
Energy: 0.9248580055893648
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Energy: 0.9090253343068813
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Energy: 1.0163036376255583
Energy: 0.8995143930680652
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Energy: 1.0163036376258534
Energy: 0.9006103656777229
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Energy: 0.8995143930709589
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Energy: 1.0163036376258534
Energy: 0.7679967610936222
Energy: 0.9560092457186351
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Energy: 0.8880205582462999
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Energy: 0.7679967610936222
Energy: 0.9560092457186351
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Energy: 0.8460726523637778
Energy: 0.8407172382432615
Energy: 0.6822386512094067
Energy: 0.7439037485919683
Energy: 0.7452035486749431
Energy: 0.6822386512116507
Energy: 0.8460726523624786
Energy: 0.8407172382465092
Energy: 0.6822386512120051
Energy: 0.7439037485945665
Energy: 0.8961837939020197
Energy: 1.1168558468530867
Energy: 0.7244661162167623
Energy: 0.8993087316881042
Energy: 1.1168558468543859
Energy: 0.7244661162167623
Energy: 0.8961837939013702
Energy: 1.1168558468520828
Energy: 0.7244661162158172
Energy: 0.8993087316861554
Energy: 0.6396575397158206
Energy: 0.693827985776521
Energy: 0.694065315687677
Energy: 0.7448199516772294
Energy: 0.693827985777466
Energy: 0.6940653156873227
Energy: 0.6396575397158206
Energy: 0.6938279857781157
Energy: 0.6940653156892714
Energy: 0.7448199516782332
Energy: 0.8985415381456062
Energy: 0.6821166943873136
Energy: 1.1295045412466098
Energy: 0.8963248389619152
Energy: 0.6821166943869593
Energy: 1.0629489257098703
Energy: 0.8985415381456062
Energy: 0.6821166943876089
Energy: 1.1295045412459603
Energy: 0.8963248389632142
Energy: 0.8461789831784482
Energy: 0.7244196673302723
Energy: 0.74474253822902
Energy: 0.7439733431972785
Energy: 0.7244196673283236
Energy: 0.8466965681229494
Energy: 0.8461789831758499
Energy: 0.724419667327674
Energy: 0.7447425382293152
Energy: 0.7439733431972785
Energy: 1.0969458396259186
Energy: 0.6947054648466084
Energy: 0.9120469735261484
Energy: 1.0969458396249148
Energy: 0.6947054648472579
Energy: 0.9112894558415718
Energy: 1.096945839625269
Energy: 0.6947054648482027
Energy: 0.912046973526798
Energy: 1.0969458396255642
Energy: 0.6943293696624334
Energy: 0.7241940433516219
Energy: 0.9006490551039084
Energy: 0.6943293696617838
Energy: 0.7241940433506772
Energy: 0.8997756150943697
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Energy: 0.7241940433535706
Energy: 0.9006490551016644
Energy: 0.6943293696624334
Energy: 1.0192079107494092
Energy: 0.990036009598957
Energy: 0.9230361165461642
Energy: 1.0192079107497634
Energy: 1.0116130215917052
Energy: 1.0313870308817046
Energy: 1.01920791074811
Energy: 0.9900360095957089
Energy: 0.9230361165468138
Energy: 1.01920791074811
Energy: 0.694133155603587
Energy: 0.9111680364903141
Energy: 1.1168502273503556
Energy: 0.6941331556016382
Energy: 0.8702342268994699
Energy: 1.1168502273500602
Energy: 0.6941331556032917
Energy: 0.9111680364900189
Energy: 1.1168502273500602
Energy: 0.6941331556029374
Energy: 1.0163036376258534
Energy: 0.7904552446327096
Energy: 0.7245710532857678
Energy: 1.0163036376281565
Energy: 0.7922382131492308
Energy: 0.7245710532831694
Energy: 1.0163036376271526
Energy: 0.7904552446333591
Energy: 0.7245710532864172
Energy: 1.0163036376245544
Energy: 0.8959851186450586
Energy: 0.9263570603408724
Energy: 0.6941215676726686
Energy: 0.8698742844105843
Energy: 0.9250147502687623
Energy: 0.6941215676726686
Energy: 0.8959851186441138
Energy: 0.9263570603382743
Energy: 0.6941215676772157
Energy: 0.8698742844060372
Energy: 0.8430815065266106
Energy: 0.8473316410231527
Energy: 0.6822386512107059
Energy: 0.9436295044495381
Energy: 0.9138708215294024
Energy: 0.6822386512120051
Energy: 0.8430815065272602
Energy: 0.8473316410251014
Energy: 0.6822386512113555
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Energy: 1.1168558468530867
Energy: 0.7244661162177661
Energy: 0.9903261755712406
Energy: 1.1168558468540317
Energy: 0.7244661162184156
Energy: 1.031811500491603
Energy: 1.1168558468507837
Energy: 0.7244661162167623
Energy: 0.9903261755725398
Energy: 1.1502007192571304
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Energy: 0.6940653156889761
Energy: 0.8483251263658129
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Energy: 0.6940653156873227
Energy: 1.150200719255182
Energy: 0.6938279857794147
Energy: 0.6940653156886218
Energy: 0.8483251263661081
Energy: 1.0322428721780965
Energy: 0.6821166943876089
Energy: 0.9138039621770065
Energy: 0.9655212814528606
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Energy: 1.0264832164722444
Energy: 1.032242872176797
Energy: 0.6821166943863097
Energy: 0.9138039621793096
Energy: 0.9655212814483134
Energy: 0.8431753752445837
Energy: 0.7244196673292683
Energy: 0.9141542632042723
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Energy: 0.7244196673286187
Energy: 0.8453548451623889
Energy: 0.8431753752465325
Energy: 0.724419667327674
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Energy: 0.9436381749319736
Energy: 1.0969458396272178
Energy: 0.6947054648456045
Energy: 0.911391225571288
Energy: 1.096945839625269
Energy: 0.6947054648466084
Energy: 0.9149995563349193
Energy: 1.096945839626214
Energy: 0.6947054648475531
Energy: 0.9113912255732368
Energy: 1.0969458396268634
Energy: 0.6943293696614294
Energy: 0.7241940433503817
Energy: 0.7922404883978956
Energy: 0.6943293696627285
Energy: 0.7241940433500276
Energy: 0.790532769443576
Energy: 0.6943293696617838
Energy: 0.724194043353925
Energy: 0.7922404883978956
Energy: 0.6943293696607798
Energy: 1.01920791074811
Energy: 1.0105822352823002
Energy: 0.9590304309616888
Energy: 1.0192079107497634
Energy: 1.1285740497907841
Energy: 0.9248580055900143
Energy: 1.0192079107497634
Energy: 1.0105822352807057
Energy: 0.9590304309632832
Energy: 1.0192079107471652
Energy: 0.6941331556019926
Energy: 0.9090253343045783
Energy: 1.116850227351005
Energy: 0.6941331556019926
Energy: 0.9482180399481674
Energy: 1.1168502273497058
Energy: 0.694133155603587
Energy: 0.9090253343081806
Energy: 1.1168502273497058
Energy: 0.694133155603587
Energy: 1.0163036376265029
Energy: 0.8995143930687148
Energy: 0.7245710532857678
Energy: 1.0163036376268573
Energy: 0.9006103656790221
Energy: 0.7245710532841733
Energy: 1.016303637627802
Energy: 0.8995143930703093
Energy: 0.7245710532867716
Energy: 1.0163036376262078
Energy: 0.7679967610919687
Energy: 0.9560092457182809
Energy: 0.694121567673023
Energy: 0.9660118307155199
Energy: 0.8880205582473037
Energy: 0.6941215676736726
Energy: 0.7679967610942718
Energy: 0.9560092457186351
Energy: 0.6941215676772157
Energy: 0.9660118307181182
Energy: 0.8460726523634235
Energy: 0.8407172382429662
Energy: 0.6822386512107059
Energy: 0.743903748591614
Energy: 0.7452035486755926
Energy: 0.6822386512110011
Energy: 0.8460726523634235
Energy: 0.8407172382465092
Energy: 0.6822386512103515
Energy: 0.7439037485948619
Energy: 0.8961837939023741
Energy: 1.1168558468527325
Energy: 0.7244661162158172
Energy: 0.8993087316871593
Energy: 1.1168558468537364
Energy: 0.7244661162177661
Energy: 0.8961837939013702
Energy: 1.1168558468504883
Energy: 0.7244661162167623
Energy: 0.8993087316865098

minimum gb energy = 0.6396575397158206 eV
minimum distance =  2.34851376637898 Angstroms
sigma value = 33


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

Energy: 1.2445478853461889
Energy: 1.3581677765449434
Energy: 1.3584155488711473
Energy: 1.1951257176497478
Energy: 1.3581677765449434
Energy: 1.3584155488711473
Energy: 1.2445478853461889
Energy: 1.3581677765431603
Energy: 1.3584155488693646
Energy: 1.1951257176497478
Energy: 1.3781038164226447
Energy: 1.2076637135773618
Energy: 1.3155834658845937
Energy: 1.3781038164226447
Energy: 1.2076637135791446
Energy: 1.3155834658845937
Energy: 1.3781038164226447
Energy: 1.2076637135773618
Energy: 1.3155834658845937
Energy: 1.3781038164226447
Energy: 1.2762956805612822
Energy: 1.1375201424462147
Energy: 1.2367585311183653
Energy: 1.277224855266371
Energy: 1.1375201424497807
Energy: 1.2367585311183653
Energy: 1.2762956805612822
Energy: 1.1375201424515637
Energy: 1.2367585311201479
Energy: 1.277224855266371
Energy: 1.4752001370536059
Energy: 1.20839899663991
Energy: 1.4642401960458427
Energy: 1.4752001370518228
Energy: 1.20839899663991
Energy: 1.4642401960440599
Energy: 1.4752001370518228
Energy: 1.2083989966416928
Energy: 1.4642401960476257
Energy: 1.4752001370518228
Energy: 1.4168432982414816
Energy: 1.305575428976253
Energy: 1.1847900825933204
Energy: 1.4168432982414816
Energy: 1.305575428976253
Energy: 1.1847900825933204
Energy: 1.4168432982414816
Energy: 1.305575428976253
Energy: 1.1847900825915374
Energy: 1.4168432982396986
Energy: 1.3255320832619546
Energy: 1.373692473902433
Energy: 1.3760324892891174
Energy: 1.3255320832619546
Energy: 1.373692473904216
Energy: 1.3760324892891174
Energy: 1.3255320832655206
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Energy: 1.3760324892909004
Energy: 1.3255320832637376
Energy: 1.1979825184867665
Energy: 1.3242791770504716
Energy: 1.3829171504576778
Energy: 1.1979733611986705
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Energy: 1.3829171504576778
Energy: 1.197982518484984
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Energy: 1.1979733612004535
Energy: 1.2713247034192372
Energy: 1.2304798899959055
Energy: 1.2749365389214022
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Energy: 1.2304798899941225
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Energy: 1.2713247034210202
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Energy: 1.2749365389214022
Energy: 1.2713247034192372
Energy: 1.321920305024906
Energy: 1.1764742205771888
Energy: 1.3452320368961792
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Energy: 1.1764742205807543
Energy: 1.3452320368979624
Energy: 1.321920305023123
Energy: 1.1764742205789716
Energy: 1.3452320368997455
Energy: 1.321920305024906
Energy: 1.3359005740469254
Energy: 1.2063891602796388
Energy: 1.4831241655577365
Energy: 1.3359005740487084
Energy: 1.2063891602814218
Energy: 1.4831241655577365
Energy: 1.3359005740469254
Energy: 1.206389160277856
Energy: 1.4831241655577365
Energy: 1.3359005740469254
Energy: 1.35488941123508
Energy: 1.3944752130392544
Energy: 1.2393110393722155
Energy: 1.354889411236863
Energy: 1.3944752130410374
Energy: 1.2392744153596915
Energy: 1.35488941123508
Energy: 1.3944752130374714
Energy: 1.2393110393739983
Energy: 1.354889411236863
Energy: 1.2080497113551922
Energy: 1.398728176370928
Energy: 1.468946409156577
Energy: 1.2080497113551922
Energy: 1.39793057200299
Energy: 1.4665801949182242
Energy: 1.208049711356975
Energy: 1.398728176369145
Energy: 1.468946409156577
Energy: 1.208049711356975
Energy: 1.2004400855377293
Energy: 1.236648957320188
Energy: 1.236501853155184
Energy: 1.2004400855412953
Energy: 1.2365214093216657
Energy: 1.2363477876322286
Energy: 1.2004400855430781
Energy: 1.236648957320188
Energy: 1.2365018531498349
Energy: 1.2004400855412953
Energy: 1.2078977262245676
Energy: 1.357385924637032
Energy: 1.2898764175823914
Energy: 1.2078977262263506
Energy: 1.3415461999119878
Energy: 1.2898764175806083
Energy: 1.2078977262263506
Energy: 1.3573859246352489
Energy: 1.2898764175841742
Energy: 1.2078977262245676
Energy: 1.360887580427936
Energy: 1.2212257044421542
Energy: 1.3415541667091204
Energy: 1.360887580427936
Energy: 1.1964405346721794
Energy: 1.3415541667091204
Energy: 1.360887580427936
Energy: 1.2212257044403712
Energy: 1.3415541667073374
Energy: 1.3608875804261855
Energy: 1.3525366013106115
Energy: 1.3753642473029533
Energy: 1.207381818672445
Energy: 1.3525366013088287
Energy: 1.3753642473029533
Energy: 1.207381818676011
Energy: 1.3525366013070457
Energy: 1.375364247304736
Energy: 1.207381818676011
Energy: 1.3525366013088287
Energy: 1.3233607676091261
Energy: 1.3850334392443642
Energy: 1.2412215909671749
Energy: 1.3233607676109091
Energy: 1.3850334392443642
Energy: 1.2412215909671749
Energy: 1.3233607676091261
Energy: 1.3850334392443642
Energy: 1.241221590968958
Energy: 1.3233607676109091
Energy: 1.2775695057292376
Energy: 1.40825050643094
Energy: 1.2019489282000564
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Energy: 1.2729106779620563
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Energy: 1.3162557338359142
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Energy: 1.2517438271699186
Energy: 1.3662256405360151
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Energy: 1.3396226692480944
Energy: 1.2355767425049748
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Energy: 1.3662256405377982
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Energy: 1.3188512429847352
Energy: 1.4433918757672617
Energy: 1.4870905667354208
Energy: 1.3188512429865182
Energy: 1.4238818462698466
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Energy: 1.3188512429865182
Energy: 1.4433918757690447
Energy: 1.4870905667372039
Energy: 1.3188512429847352
Energy: 1.3506173165015705
Energy: 1.318954399753079
Energy: 1.3530489549702747
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Energy: 1.318954399753079
Energy: 1.3530489549720575
Energy: 1.3506173164997874
Energy: 1.318954399754862
Energy: 1.3530489549720575
Energy: 1.3506173165015705
Energy: 1.3228474800726722
Energy: 1.3718247508351453
Energy: 1.326245499418654
Energy: 1.3228474800708891
Energy: 1.3718247508351453
Energy: 1.3262454994204371
Energy: 1.3228474800673231
Energy: 1.3718247508369283
Energy: 1.3262454994204371
Energy: 1.3228474800691061
Energy: 1.1845712600192335
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Energy: 1.2772653127540103
Energy: 1.3573970384197118
Energy: 1.1845712600210165
Energy: 1.2772653127522273
Energy: 1.3573970384179288
Energy: 1.1845712600174507

minimum gb energy = 1.1375201424462147 eV
minimum distance =  2.21023579096548 Angstroms
sigma value = 219


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

Energy: 1.4003997028794384
Energy: 1.709201346528625
Energy: 1.709162543953894
Energy: 1.4003997028794384
Energy: 1.709201346528625
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Energy: 1.4432257326688194
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Energy: 1.443553996912465
Energy: 1.6888534812390759
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Energy: 1.5238409025252626
Energy: 1.505869500207193
Energy: 1.39809428984569
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Energy: 1.474997635677469
Energy: 1.3980942898468702
Energy: 1.51021633067523
Energy: 1.420557670796804
Energy: 1.39809428984569
Energy: 1.51021633067523
Energy: 1.474997635678649
Energy: 1.3980942898433302
Energy: 1.3987103673765238
Energy: 1.6949782682817072
Energy: 1.7090662414754378
Energy: 1.3987103673777037
Energy: 1.6949782682817072
Energy: 1.7090662414766178
Energy: 1.3987103673777037
Energy: 1.6949782682817072
Energy: 1.7090662414754378
Energy: 1.3987103673777037
Energy: 1.7381946340662031
Energy: 1.6070050431174296
Energy: 1.681000802996049
Energy: 1.7381946340673833
Energy: 1.6070050431186098
Energy: 1.681000802996049
Energy: 1.7381946340662031
Energy: 1.6070050431174296
Energy: 1.681000802996049
Energy: 1.7381946340662031

minimum gb energy = 1.3882786283980892 eV
minimum distance =  2.26039465156524 Angstroms
sigma value = 15


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

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Energy: 1.869375025867635
Energy: 1.5852320768691537
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Energy: 1.9039787419985759
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Energy: 1.9039787419985759
Energy: 1.7037702036998112
Energy: 1.711549048415318
Energy: 1.5903914607534075
Energy: 1.7037702037063005
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Energy: 1.5903914607511915
Energy: 1.7037702036998112
Energy: 1.711549048417534
Energy: 1.5903914607534075
Energy: 1.7037702037063005
Energy: 1.7583147462621649
Energy: 1.5934741882803165
Energy: 1.5861964750762634
Energy: 1.758314746259949
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minimum gb energy = 1.5816709043502626 eV
minimum distance =  2.20629221536454 Angstroms
sigma value = 293


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

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Energy: 1.6060573230413075
Energy: 1.6800694121328514
Energy: 1.5770965188970316
Energy: 1.5880182132510177
Energy: 1.5985770425117793
Energy: 1.5770965188970316
Energy: 1.5880182132510177
Energy: 1.5985770425144448
Energy: 1.5770965188970316
Energy: 1.5880182132536829
Energy: 1.5985770425144448
Energy: 1.577096518899697
Energy: 1.6780913824835537
Energy: 1.7203454005210046
Energy: 1.6366904279427272
Energy: 1.6627524725203813
Energy: 1.7203454005210046
Energy: 1.6366904279400618
Energy: 1.678091382480888
Energy: 1.7203454005210046
Energy: 1.6366904279427272
Energy: 1.6627524725230467
Energy: 1.6313477782759105
Energy: 1.940262556967938
Energy: 1.9087637591147484
Energy: 1.6209882432615255
Energy: 1.940262556967938
Energy: 1.9087637591174136
Energy: 1.631347778273245
Energy: 1.9402625569706031
Energy: 1.9087637591174136
Energy: 1.6209882432615255
Energy: 1.6725677002051866
Energy: 1.6342422683522964
Energy: 1.6863584109680207
Energy: 1.6725677002078518
Energy: 1.6342422683522964
Energy: 1.6863584109680207
Energy: 1.6725677002078518
Energy: 1.6342422683576268
Energy: 1.6863584109706864
Energy: 1.6725677002078518
Energy: 1.585431719119839
Energy: 1.607183103834156
Energy: 1.5897617944472502
Energy: 1.5854317191171736
Energy: 1.6071093670620793
Energy: 1.5897617944498672
Energy: 1.5854317191171736
Energy: 1.6071831038368214
Energy: 1.5897617944498672
Energy: 1.5854317191171736
Energy: 1.681987359165828
Energy: 1.599652946108689
Energy: 1.9283548010973113
Energy: 1.681987359165828
Energy: 1.5997292233039606
Energy: 1.9283548010973113
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Energy: 1.5996529461060238
Energy: 1.928354801094646
Energy: 1.681987359165828
Energy: 1.773695747518276
Energy: 1.6058154788664194
Energy: 1.7003891742303743
Energy: 1.7736957475209414
Energy: 1.6058154788664194
Energy: 1.7003891742303743
Energy: 1.7736957475209414
Energy: 1.6058154788664194
Energy: 1.7003891742277089
Energy: 1.7736957475209414
Energy: 1.700950150641863
Energy: 1.7094196237686456
Energy: 1.6589598166158148
Energy: 1.700950150641863
Energy: 1.7094196237659804
Energy: 1.6589167576195418
Energy: 1.700950150641863
Energy: 1.7094196237659804
Energy: 1.6589598166131498
Energy: 1.7009501506391975
Energy: 1.6292090644336874
Energy: 1.6002236164375754
Energy: 1.6354027913455964
Energy: 1.6292090644336874
Energy: 1.60022361643491
Energy: 1.6354027913402658
Energy: 1.6292090644336874
Energy: 1.6002236164375754
Energy: 1.635402791350927
Energy: 1.629209064431022
Energy: 1.7060784552540422
Energy: 1.575694518208112
Energy: 1.5752993449943329
Energy: 1.7060784552567076
Energy: 1.575694518210777
Energy: 1.5752993449943329
Energy: 1.706078455259373
Energy: 1.575694518210777
Energy: 1.5752993449943329
Energy: 1.7060784552567076
Energy: 1.6343674362127765
Energy: 1.6611365557684683
Energy: 1.614375275920143
Energy: 1.6343674362127765
Energy: 1.661136555773799
Energy: 1.6143752759174776
Energy: 1.6343674362127765
Energy: 1.6611365557711337
Energy: 1.6143752759174776
Energy: 1.6343674362101108
Energy: 1.5711686212614062
Energy: 1.6637897978855452
Energy: 1.708598252174541
Energy: 1.5711686212587892
Energy: 1.6637897978855452
Energy: 1.7085982521718759
Energy: 1.5711686212561238
Energy: 1.6637897978882108
Energy: 1.7085982521718759
Energy: 1.5711686212587892
Energy: 1.7864205228573686
Energy: 1.653899511641341
Energy: 1.5986339894569026
Energy: 1.7864205228547032
Energy: 1.6538995116386757
Energy: 1.598512792139424
Energy: 1.7864205228573686
Energy: 1.6538995116360102
Energy: 1.5986339894569026
Energy: 1.7864205228573686
Energy: 1.6800694121328514
Energy: 1.8840341842014654
Energy: 1.6060573230413075
Energy: 1.6800694121355169
Energy: 1.884034184206796
Energy: 1.6060573230413075
Energy: 1.680069412130186
Energy: 1.8840341842041308
Energy: 1.6060573230413075
Energy: 1.6800694121328514

minimum gb energy = 1.5711686212561238 eV
minimum distance =  2.20763550335452 Angstroms
sigma value = 293


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

Energy: 1.4839504904885596
Energy: 1.4845717408613703
Energy: 1.4845151351811623
Energy: 1.4839504904871146
Energy: 1.4845717408613703
Energy: 1.4845151351806807
Energy: 1.483950490488078
Energy: 1.4845717408618522
Energy: 1.4845151351816441
Energy: 1.4839504904875962
Energy: 1.4821576567061983
Energy: 1.4844187318259032
Energy: 1.4845999784927724
Energy: 1.4821576567066799
Energy: 1.4844187318259032
Energy: 1.484599978493254
Energy: 1.4821576567061983
Energy: 1.4844187318254216
Energy: 1.484599978493254
Energy: 1.4821576567066799
Energy: 1.4814038359544288
Energy: 1.481638343474457
Energy: 1.7330181193961651
Energy: 1.481403835953947
Energy: 1.481638343474457
Energy: 1.7330181213020448
Energy: 1.4814038359534651
Energy: 1.4816383434739753
Energy: 1.733018118729749
Energy: 1.481403835953947
Energy: 1.7329850518301875
Energy: 1.4815334297072145
Energy: 1.4814111008286348
Energy: 1.7329850491163052
Energy: 1.4815334297086598
Energy: 1.481411100828153
Energy: 1.7329850491167869
Energy: 1.4815334297081781
Energy: 1.4814111008286348
Energy: 1.7329850492150174
Energy: 1.4847060378443744
Energy: 1.4844584377372694
Energy: 1.482078990347813
Energy: 1.4847060378458194
Energy: 1.4844584377367878
Energy: 1.4820789903482947
Energy: 1.4847060378458194
Energy: 1.4844584377367878
Energy: 1.4820789903482947
Energy: 1.4847060378463013
Energy: 1.4845717408613703
Energy: 1.4845151351811623
Energy: 1.483950490488078
Energy: 1.4845717408608887
Energy: 1.4845151351806807
Energy: 1.4839504904871146
Energy: 1.4845717408604069
Energy: 1.4845151351811623
Energy: 1.483950490488078
Energy: 1.4845717408613703
Energy: 1.4844187318259032
Energy: 1.4845999784927724
Energy: 1.4821576567057164
Energy: 1.4844187318254216
Energy: 1.4845999784927724
Energy: 1.4821576567066799
Energy: 1.484418731826385
Energy: 1.4845999784927724
Energy: 1.4821576567057164
Energy: 1.4844187318259032
Energy: 1.481638343474457
Energy: 1.7330181181182067
Energy: 1.4814038359544288
Energy: 1.4816383434734937
Energy: 1.733018117685783
Energy: 1.481403835953947
Energy: 1.481638343474457
Energy: 1.7330181177469635
Energy: 1.4814038359544288
Energy: 1.4816383434739753
Energy: 1.4815334297086598
Energy: 1.4814111008276716
Energy: 1.7329850519606507
Energy: 1.4815334297076963
Energy: 1.4814111008286348
Energy: 1.7329850506297448
Energy: 1.4815334297076963
Energy: 1.481411100828153
Energy: 1.732985051785868
Energy: 1.4815334297076963
Energy: 1.4844584377372694
Energy: 1.482078990347813
Energy: 1.4847060378458194
Energy: 1.4844584377372694
Energy: 1.4820789903482947
Energy: 1.4847060378458194
Energy: 1.4844584377367878
Energy: 1.4820789903482947
Energy: 1.4847060378453378
Energy: 1.4844584377372694
Energy: 1.4845151351811623
Energy: 1.4839504904871146
Energy: 1.4845717408608887
Energy: 1.4845151351801988
Energy: 1.4839504904885596
Energy: 1.484571740862334
Energy: 1.4845151351811623
Energy: 1.4839504904871146
Energy: 1.4845717408608887
Energy: 1.4845151351811623
Energy: 1.484599978493254
Energy: 1.4821576567066799
Energy: 1.4844187318259032
Energy: 1.4845999784942177
Energy: 1.4821576567061983
Energy: 1.4844187318259032
Energy: 1.4845999784937358
Energy: 1.4821576567066799
Energy: 1.4844187318259032
Energy: 1.484599978493254
Energy: 1.7330181183088869
Energy: 1.4814038359534651
Energy: 1.481638343474457
Energy: 1.733018119653281
Energy: 1.4814038359544288
Energy: 1.4816383434739753
Energy: 1.7330181177301027
Energy: 1.4814038359544288
Energy: 1.4816383434749387
Energy: 1.7330181192883
Energy: 1.481411100828153
Energy: 1.7329850512037117
Energy: 1.4815334297086598
Energy: 1.481411100828153
Energy: 1.7329850526126587
Energy: 1.4815334297076963
Energy: 1.481411100828153
Energy: 1.732985051996299
Energy: 1.4815334297081781
Energy: 1.4814111008276716
Energy: 1.482078990347813
Energy: 1.484706037844856
Energy: 1.4844584377367878
Energy: 1.4820789903482947
Energy: 1.4847060378458194
Energy: 1.4844584377367878
Energy: 1.4820789903482947
Energy: 1.4847060378458194
Energy: 1.4844584377372694
Energy: 1.4820789903482947
Energy: 1.483950490488078
Energy: 1.4845717408613703
Energy: 1.4845151351811623
Energy: 1.4839504904871146
Energy: 1.4845717408618522
Energy: 1.4845151351806807
Energy: 1.4839504904885596
Energy: 1.484571740862334
Energy: 1.4845151351811623
Energy: 1.4839504904871146
Energy: 1.4821576567061983
Energy: 1.4844187318259032
Energy: 1.4845999784937358
Energy: 1.4821576567066799
Energy: 1.484418731826385
Energy: 1.484599978493254
Energy: 1.4821576567061983
Energy: 1.4844187318259032
Energy: 1.484599978493254
Energy: 1.4821576567066799
Energy: 1.481403835953947
Energy: 1.481638343474457
Energy: 1.7330181178856159
Energy: 1.481403835953947
Energy: 1.4816383434749387
Energy: 1.7330181190162504
Energy: 1.4814038359544288
Energy: 1.4816383434734937
Energy: 1.7330181184249414
Energy: 1.481403835953947
Energy: 1.73298505302774
Energy: 1.4815334297076963
Energy: 1.4814111008286348
Energy: 1.7329850532366822
Energy: 1.4815334297086598
Energy: 1.481411100828153
Energy: 1.7329850538785734
Energy: 1.4815334297081781
Energy: 1.4814111008286348
Energy: 1.7329850538949527
Energy: 1.4847060378463013
Energy: 1.4844584377367878
Energy: 1.482078990347813
Energy: 1.4847060378467831
Energy: 1.4844584377367878
Energy: 1.4820789903473313
Energy: 1.4847060378458194
Energy: 1.4844584377372694
Energy: 1.482078990347813
Energy: 1.4847060378458194
Energy: 1.4845717408613703
Energy: 1.4845151351811623
Energy: 1.4839504904885596
Energy: 1.4845717408618522
Energy: 1.4845151351806807
Energy: 1.4839504904871146
Energy: 1.4845717408604069
Energy: 1.4845151351811623
Energy: 1.4839504904885596
Energy: 1.4845717408618522
Energy: 1.4844187318259032
Energy: 1.4845999784927724
Energy: 1.4821576567057164
Energy: 1.4844187318254216
Energy: 1.4845999784927724
Energy: 1.4821576567066799
Energy: 1.484418731826385
Energy: 1.4845999784927724
Energy: 1.4821576567061983
Energy: 1.4844187318259032

minimum gb energy = 1.4814038359534651 eV
minimum distance =  2.29077547092608 Angstroms
sigma value = 15


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

Energy: 1.5974233765720887
Energy: 1.7016633851894998
Energy: 1.6538600312150127
Energy: 1.5567241179323468
Energy: 1.7016633854165255
Energy: 1.6538600209474428
Energy: 1.597423376569905
Energy: 1.7016633847551417
Energy: 1.653860030138924
Energy: 1.5567241179323468
Energy: 1.5660498401768885
Energy: 1.6262346143353374
Energy: 1.7301835465771624
Energy: 1.5660498401790721
Energy: 1.6262346143353374
Energy: 1.7301835465749784
Energy: 1.5660498401790721
Energy: 1.6262346143331536
Energy: 1.7301835465749784
Energy: 1.5660498401768885
Energy: 1.7197352576863036
Energy: 1.5814479721557553
Energy: 1.7927265731762227
Energy: 1.7197352576863036
Energy: 1.5814479721535715
Energy: 1.7927265731762227
Energy: 1.7197352576863036
Energy: 1.5814479721535715
Energy: 1.7927265731762227
Energy: 1.7197352576863036
Energy: 1.5390749369196426
Energy: 1.5823858343749915
Energy: 1.5399125095606883
Energy: 1.539074936917459
Energy: 1.5823858343749915
Energy: 1.5399125095628718
Energy: 1.5390749369152754
Energy: 1.5823858343749915
Energy: 1.5399125095606883
Energy: 1.539074936917459
Energy: 1.7521145592347767
Energy: 1.5760014476166948
Energy: 1.6878332629260362
Energy: 1.752114559232593
Energy: 1.5760014476145112
Energy: 1.6878332629238526
Energy: 1.7521145592304095
Energy: 1.5760014476188788
Energy: 1.6878332629216688
Energy: 1.7521145592304095
Energy: 1.6260052040938726
Energy: 1.7768749728174902
Energy: 1.5429000989211885
Energy: 1.6260052040960562
Energy: 1.7768749728153066
Energy: 1.5429000989211885
Energy: 1.626005204091689
Energy: 1.7768749728153066
Energy: 1.5429000989190045
Energy: 1.6260052040938726
Energy: 1.5824809802888316
Energy: 1.6945928636526637
Energy: 1.61573951800578
Energy: 1.5827970463617025
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Energy: 1.5824809802888316
Energy: 1.6945928636548475
Energy: 1.61573951800578
Energy: 1.582797046359519
Energy: 1.5828479717528243
Energy: 1.766587694538505
Energy: 1.7836195050496155
Energy: 1.5828479717528243
Energy: 1.7665876945406889
Energy: 1.7836195050496155
Energy: 1.5828479717506405
Energy: 1.7665876945406889
Energy: 1.7836195050517993
Energy: 1.5828479717528243
Energy: 1.8061474585034327
Energy: 1.5781322357206231
Energy: 1.5769411750789584
Energy: 1.8061474585034327
Energy: 1.5574504030034941
Energy: 1.556339944006736
Energy: 1.8061474585056163
Energy: 1.5781322357206231
Energy: 1.5769411750789584
Energy: 1.8061474585056163
Energy: 1.5778699158478717
Energy: 1.7204225082035913
Energy: 1.7654682072103263
Energy: 1.577987548089362
Energy: 1.720422508657603
Energy: 1.779914055440736
Energy: 1.5778699158435043
Energy: 1.7204225086008664
Energy: 1.7654682072103263
Energy: 1.5779875480915457
Energy: 1.6127792723279442
Energy: 1.5727524969924631
Energy: 1.652705673337733
Energy: 1.6127792723301277
Energy: 1.5727524969968305
Energy: 1.6527056733355494
Energy: 1.6127792723323116
Energy: 1.5727524969946467
Energy: 1.6527056733355494
Energy: 1.6127792723279442
Energy: 1.6674798520081369
Energy: 1.5430068649011852
Energy: 1.733343299001534
Energy: 1.667479852010321
Energy: 1.5430006554105322
Energy: 1.733343299003718
Energy: 1.6674798520081369
Energy: 1.5430068649055526
Energy: 1.733343299001534
Energy: 1.6674798520081369
Energy: 1.8654866058147916
Energy: 1.538909066645813
Energy: 1.693648956451312
Energy: 1.8654866058147916
Energy: 1.538909066645813
Energy: 1.693648956451312
Energy: 1.8654866058169752
Energy: 1.5389090666479965
Energy: 1.693648956451312
Energy: 1.8654866058126078
Energy: 1.5478392378988348
Energy: 1.544855742125801
Energy: 1.97690384434416
Energy: 1.5478392378988348
Energy: 1.5448557421279847
Energy: 1.976903844346344
Energy: 1.5478392378988348
Energy: 1.5448557421279847
Energy: 1.9769038443485274
Energy: 1.5478392378988348
Energy: 1.6738403065055467
Energy: 1.8301081876775411
Energy: 1.562050746561313
Energy: 1.6738403065033631
Energy: 1.830108187679725
Energy: 1.5620482382891874
Energy: 1.6738403065011795
Energy: 1.8301081876753573
Energy: 1.562050746561313
Energy: 1.6738403065011795
Energy: 1.5577763166074647
Energy: 1.7815225750881578
Energy: 1.7210689024335855
Energy: 1.5577763166052812
Energy: 1.7815225750881578
Energy: 1.7210689023571957
Energy: 1.5577763166052812
Energy: 1.7815225750903414
Energy: 1.7210689025034243
Energy: 1.5577763166074647
Energy: 1.5669704066463344
Energy: 1.7899358885638832
Energy: 1.7441807540485559
Energy: 1.5669704066441508
Energy: 1.7899358885682506
Energy: 1.7441807540507395
Energy: 1.5669704066419672
Energy: 1.7899358885638832
Energy: 1.7441807540507395
Energy: 1.5669704066441508
Energy: 1.7887196303947197
Energy: 1.6263691186626046
Energy: 1.5441258590993585
Energy: 1.7887196303969035
Energy: 1.6263691186647882
Energy: 1.5441258590993585
Energy: 1.7887196303947197
Energy: 1.6263691186647882
Energy: 1.5441258590971747
Energy: 1.7887196303947197
Energy: 1.5692188616639033
Energy: 1.732085787512544
Energy: 1.7058986475626723
Energy: 1.5692188616573524
Energy: 1.7320857875103601
Energy: 1.7058986475648559
Energy: 1.5692188616617198
Energy: 1.7320857875103601
Energy: 1.7058986475626723
Energy: 1.5692188616639033
Energy: 1.6932264374619461
Energy: 1.561640228967396
Energy: 1.6182376074261287
Energy: 1.6932264374619461
Energy: 1.5616402289652125
Energy: 1.6182376074239448
Energy: 1.6932264374619461
Energy: 1.5616402289695797
Energy: 1.6182376074239448
Energy: 1.6932264374641297
Energy: 1.6271920041168806
Energy: 1.5780238468945103
Energy: 1.7223737949747648
Energy: 1.6271920041146968
Energy: 1.5780238468945103
Energy: 1.7223737949769484
Energy: 1.6271920041168806
Energy: 1.5780238468901429
Energy: 1.7223737949747648
Energy: 1.6271920041146968
Energy: 1.7419474871077267
Energy: 1.9921236285280335
Energy: 1.5450129184155836
Energy: 1.7419474871077267
Energy: 1.9921236285236663
Energy: 1.5450129184134
Energy: 1.7419474871055434
Energy: 1.9921236285280335
Energy: 1.5450129184134
Energy: 1.7419474871099105
Energy: 1.5806702340003964
Energy: 1.5818298057050577
Energy: 1.617492359750366
Energy: 1.5800376658450594
Energy: 1.5828841616305338
Energy: 1.61749235975255
Energy: 1.5806702340047638
Energy: 1.581829805702874
Energy: 1.61749235975255
Energy: 1.5800376658428759
Energy: 1.545997780124697
Energy: 1.6204188973234699
Energy: 1.5650924495758216
Energy: 1.5459977801225129
Energy: 1.6204188973256537
Energy: 1.5650924495758216
Energy: 1.5459977801225129
Energy: 1.6204188973234699
Energy: 1.5650924495780052
Energy: 1.5459977801225129
Energy: 1.6971079575972365
Energy: 1.600125368095437
Energy: 1.599882966325021
Energy: 1.6971079575972365
Energy: 1.6001253680932532
Energy: 1.5998829663272047
Energy: 1.697107957595053
Energy: 1.6001253680932532
Energy: 1.599882966325021
Energy: 1.6971079575972365
Energy: 1.5781072072034639
Energy: 1.7664018275053432
Energy: 1.6720458760031003
Energy: 1.5780525427452516
Energy: 1.7664018275053432
Energy: 1.6509101112718034
Energy: 1.5781072072034639
Energy: 1.7664018275075268
Energy: 1.6720458760031003
Energy: 1.5780525427474352
Energy: 1.6545241179968906
Energy: 1.570799786147469
Energy: 1.6506336578173824
Energy: 1.6545241179947467
Energy: 1.570799786147469
Energy: 1.6506336578173824
Energy: 1.6545241179947467
Energy: 1.5707997861452854
Energy: 1.650633657819566
Energy: 1.6545241179947467
Energy: 1.7327313676199674
Energy: 1.7703605148731894
Energy: 1.7338453797935376
Energy: 1.7327313676199674
Energy: 1.7703605148710055
Energy: 1.733845379791354
Energy: 1.732731367622151
Energy: 1.7703605148710055
Energy: 1.7338453797935376
Energy: 1.7327313676199674
Energy: 1.792002136442832
Energy: 1.5446954354872193
Energy: 1.7027908404955132
Energy: 1.8483510245308112
Energy: 1.5447140856030825
Energy: 1.7027908404933296
Energy: 1.7920021364558947
Energy: 1.544695435489403
Energy: 1.7027908404955132
Energy: 1.8483510245264436
Energy: 1.6198739814454897
Energy: 1.5433994193900475
Energy: 1.7046437130681893
Energy: 1.6198739814454897
Energy: 1.5433994193921914
Energy: 1.7046437130660057
Energy: 1.6198739814476735
Energy: 1.5433994193921914
Energy: 1.7046437130660057
Energy: 1.6198739814476735
Energy: 1.806027872903788
Energy: 1.6799368188035717
Energy: 1.5598981330237012
Energy: 1.8060278729016044
Energy: 1.6799368188013881
Energy: 1.5599017259830432
Energy: 1.8060278729016044
Energy: 1.6799368188057557
Energy: 1.5598981330237012
Energy: 1.806027872903788
Energy: 1.5617052977690709
Energy: 1.7807717533502074
Energy: 1.7056555308378403
Energy: 1.5617052977690709
Energy: 1.7807717533545746
Energy: 1.7056555308400239
Energy: 1.5617052977712544
Energy: 1.7807717533545746
Energy: 1.7056555308378403
Energy: 1.5617052977756218
Energy: 1.5977550235831632
Energy: 1.6942976803833996
Energy: 1.679141910176312
Energy: 1.5567253092177054
Energy: 1.6942976803790324
Energy: 1.6791419101741283
Energy: 1.597755023585347
Energy: 1.6942976803790324
Energy: 1.679141910176312
Energy: 1.5567253092177054
Energy: 1.596832387293677
Energy: 1.7761443932996759
Energy: 1.7062476868520722
Energy: 1.557350652119329
Energy: 1.7761443932996759
Energy: 1.6840360163995172
Energy: 1.5968323872958605
Energy: 1.7761443932974919
Energy: 1.706247686854256
Energy: 1.5573506521171454
Energy: 1.5699643012816584
Energy: 1.8720542263918907
Energy: 1.7707579448711355
Energy: 1.569964301283842
Energy: 1.872054226394074
Energy: 1.7707579448689514
Energy: 1.5699643012816584
Energy: 1.8720542263918907
Energy: 1.770757944873319
Energy: 1.569964301277291
Energy: 1.8308966453293896
Energy: 1.5603567094170328
Energy: 1.822027614804093
Energy: 1.8308966453293896
Energy: 1.5603567094192163
Energy: 1.822027614804093
Energy: 1.8308966453293896
Energy: 1.5603567094192163
Energy: 1.822027614804093
Energy: 1.8308966453293896
Energy: 1.7368425376590821
Energy: 1.7014217955695732
Energy: 1.5451311207039833
Energy: 1.7368425376590821
Energy: 1.7014217955695732
Energy: 1.5449828914577006
Energy: 1.7368425376590821
Energy: 1.7014217955673894
Energy: 1.545131120699616
Energy: 1.7368425376612657
Energy: 1.9333873492238778
Energy: 1.720713771045199
Energy: 1.5429302951696793
Energy: 1.9333873492260618
Energy: 1.720713771045199
Energy: 1.5429302951674957
Energy: 1.933387349230429
Energy: 1.720713771045199
Energy: 1.5429302951718629
Energy: 1.9333873492260618
Energy: 1.6950881140036547
Energy: 1.6929936617800498
Energy: 1.7116254057774167
Energy: 1.695088114001471
Energy: 1.6929936617822336
Energy: 1.7116254057796003
Energy: 1.695088114001471
Energy: 1.6929936617778663
Energy: 1.7116254057774167
Energy: 1.695088114001471
Energy: 1.8862156491569055
Energy: 1.7488897331699238
Energy: 1.5658499037001332
Energy: 1.8862156491569055
Energy: 1.7488897331677404
Energy: 1.5658499036979492
Energy: 1.8862156491547215
Energy: 1.7488897331699238
Energy: 1.5658499037001332
Energy: 1.8862156491547215
Energy: 1.5800070473120196
Energy: 1.7326699727759967
Energy: 1.6139817788362354
Energy: 1.5800070473120196
Energy: 1.732669972773813
Energy: 1.6139817788362354
Energy: 1.5800070473120196
Energy: 1.7326699727759967
Energy: 1.6139817788362354
Energy: 1.5800070473142034
Energy: 1.7122256121819712
Energy: 1.5790094180948921
Energy: 1.5794994865815115
Energy: 1.7122256121819712
Energy: 1.559408462469261
Energy: 1.55911223316586
Energy: 1.7122256121863384
Energy: 1.5790094180927083
Energy: 1.5794994865858787
Energy: 1.7122256121863384
Energy: 1.7816258935224223
Energy: 1.5568773497361088
Energy: 1.861300211269623
Energy: 1.7816258935267897
Energy: 1.5568773497339252
Energy: 1.8613002112674395
Energy: 1.7816258935267897
Energy: 1.5568773497339252
Energy: 1.861300211271807
Energy: 1.7816258935246059
Energy: 1.5822361376840197
Energy: 1.974311569117488
Energy: 1.5818017483164197
Energy: 1.5822361376818361
Energy: 1.974311569117488
Energy: 1.5818017483186035
Energy: 1.5822361376840197
Energy: 1.9743115691153046
Energy: 1.5818017483207871
Energy: 1.5822361376862035
Energy: 1.6141177271300569
Energy: 1.544371014736108
Energy: 1.8401257675596894
Energy: 1.6141177271038922
Energy: 1.5443646866292478
Energy: 1.8401257675575058
Energy: 1.6141177271300569
Energy: 1.544371014736108
Energy: 1.8401257675596894
Energy: 1.6141177271038922
Energy: 1.5907050120458162
Energy: 1.554683754251643
Energy: 1.7113691414644756
Energy: 1.5907050135933862
Energy: 1.554683754251643
Energy: 1.7113691414666594
Energy: 1.5907050138836596
Energy: 1.5546837542538268
Energy: 1.7113691414666594
Energy: 1.5907050131415583
Energy: 1.6630956436811104
Energy: 1.6317536896086253
Energy: 1.5622215084681286
Energy: 1.6630956436854778
Energy: 1.6317536896086253
Energy: 1.56222046256152
Energy: 1.6630956436854778
Energy: 1.6317536896129927
Energy: 1.5622215084681286
Energy: 1.6630956436832942
Energy: 1.5651723202890362
Energy: 1.6954157265704968
Energy: 1.6922394331202573
Energy: 1.5651723202890362
Energy: 1.6954157265661294
Energy: 1.6922394331158899
Energy: 1.5651723202912198
Energy: 1.695415726568313
Energy: 1.6922394331158899
Energy: 1.5651723202868526
Energy: 1.5570537310620787
Energy: 1.696098338438854
Energy: 1.764203602412395
Energy: 1.5570537310642623
Energy: 1.6960983384410375
Energy: 1.7642036024102115
Energy: 1.557053731066446
Energy: 1.696098338438854
Energy: 1.764203602412395
Energy: 1.5570537310620787

minimum gb energy = 1.538909066645813 eV
minimum distance =  2.21275747434767 Angstroms
sigma value = 437


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

Energy: 1.5306532152438195
Energy: 1.52931124874687
Energy: 1.5294593893665045
Energy: 1.530653215244615
Energy: 1.5293112487460747
Energy: 1.5294593893673003
Energy: 1.5306532152438195
Energy: 1.5293112487476657
Energy: 1.5294593893665045
Energy: 1.5306532152454106
Energy: 1.6871313867185282
Energy: 1.5010751733962415
Energy: 1.7185134097744792
Energy: 1.6871313867185282
Energy: 1.5010751733962415
Energy: 1.7185134097744792
Energy: 1.6871313867185282
Energy: 1.5010751733962415
Energy: 1.7185134097736836
Energy: 1.687131386717733
Energy: 1.6904517224564433
Energy: 1.4858307896893914
Energy: 1.8561954115587134
Energy: 1.6600143274422285
Energy: 1.4858307896893914
Energy: 1.8562071336794235
Energy: 1.6904517224564433
Energy: 1.4858307896893914
Energy: 1.8561684135779417
Energy: 1.6600143274422285
Energy: 1.6180659508142436
Energy: 1.7635945189101216
Energy: 1.6215273452347954
Energy: 1.6180659508126525
Energy: 1.7635945189109172
Energy: 1.6215273452213432
Energy: 1.6180659508142436
Energy: 1.7635945189101216
Energy: 1.6215273451903165
Energy: 1.6180659508142436
Energy: 1.680927044133356
Energy: 1.535644284500743
Energy: 1.870892868521783
Energy: 1.6809270441325603
Energy: 1.5356442844999474
Energy: 1.8708928674164595
Energy: 1.680927044133356
Energy: 1.535644284500743
Energy: 1.8708928677782228
Energy: 1.680927044131765
Energy: 1.700990170038866
Energy: 1.724471451331845
Energy: 1.5016498028284895
Energy: 1.7009901700396617
Energy: 1.7244714513326407
Energy: 1.501649802829285
Energy: 1.700990170038866
Energy: 1.7244714513310495
Energy: 1.5016498028284895
Energy: 1.700990170038866
Energy: 1.622716721327277
Energy: 1.561393541842137
Energy: 1.4857961087070177
Energy: 1.6227167213256861
Energy: 1.561393541842137
Energy: 1.4857961087086091
Energy: 1.6227167213264815
Energy: 1.561393541842137
Energy: 1.4857961087086091
Energy: 1.6227167213256861
Energy: 1.6182176646147162
Energy: 1.7760168636587934
Energy: 1.616775795889338
Energy: 1.6182176646139206
Energy: 1.7760168636587934
Energy: 1.6167757958901336
Energy: 1.6182176646147162
Energy: 1.7760168636587934
Energy: 1.616775795889338
Energy: 1.618217664613125
Energy: 1.898980995572286
Energy: 1.7186544093775225
Energy: 1.5339607143631542
Energy: 1.898980995572286
Energy: 1.7186544093775225
Energy: 1.5339607143639498
Energy: 1.8989809955730819
Energy: 1.718654409378318
Energy: 1.5339607143631542
Energy: 1.8989809955714905
Energy: 1.6191004508738531
Energy: 1.6817209857918947
Energy: 1.7318791071182165
Energy: 1.6191004508746485
Energy: 1.6817209857791655
Energy: 1.7318791071174209
Energy: 1.6191004508738531
Energy: 1.6817209858173525
Energy: 1.731879107119012
Energy: 1.6191004508754443
Energy: 1.6071644644330412
Energy: 1.5001899823121736
Energy: 1.5858665382636998
Energy: 1.6071644644330412
Energy: 1.5001899823105824
Energy: 1.5858665382644954
Energy: 1.6071644644338368
Energy: 1.500189982311378
Energy: 1.5858665382636998
Energy: 1.6071644644338368
Energy: 1.680860935191232
Energy: 1.506881032987005
Energy: 1.6876501005136357
Energy: 1.680860935191232
Energy: 1.506881032987005
Energy: 1.6876501005136357
Energy: 1.6808609351936186
Energy: 1.506881032987005
Energy: 1.6876501005128401
Energy: 1.6808609351936186
Energy: 1.498844821751342
Energy: 1.6295357577584948
Energy: 1.499120917460798
Energy: 1.498844821751342
Energy: 1.6295357577584948
Energy: 1.499120917460798
Energy: 1.4988448217497508
Energy: 1.6295357577576992
Energy: 1.499120917460798
Energy: 1.498844821751342
Energy: 1.523544675763889
Energy: 1.589095486235828
Energy: 1.6206113990143212
Energy: 1.523544675763889
Energy: 1.589095486235828
Energy: 1.6206113990135256
Energy: 1.52354467576548
Energy: 1.5890954862366238
Energy: 1.6206113990127298
Energy: 1.5235446757630935

minimum gb energy = 1.4857961087070177 eV
minimum distance =  2.22841967224374 Angstroms
sigma value = 33