Model name: model_name=MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657325506211
cohesive_energy=4.290337405585513
mass=55.845
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: 0.014950013556956049
Energy: 0.015482589313789128
Energy: 0.015247731511573454
Energy: 1.6475126795162043
Energy: 0.015247731273497324
Energy: 0.01548258931446972
Energy: 0.014950013556956049
Energy: 0.015482589313789128
Energy: 0.015247731446419908
Energy: 1.64751267951644
Energy: 0.6966781122033124
Energy: 0.015670457344447136
Energy: 0.017105889354413248
Energy: 0.6923522613204037
Energy: 0.017105889354648837
Energy: 0.015667935442257013
Energy: 0.6966781122033124
Energy: 0.01566619660258432
Energy: 0.017105889354413248
Energy: 0.6923522613199589
Energy: 0.014950013556956049
Energy: 0.015482589313789128
Energy: 0.015247731434902207
Energy: 1.647512679515969
Energy: 0.015247731322316674
Energy: 0.015482589314260308
Energy: 0.014950013556956049
Energy: 0.01548258931470531
Energy: 0.015247731376423695
Energy: 1.6475126795162043
Energy: 0.6966781122033124
Energy: 0.01565680660669576
Energy: 0.017105889354413248
Energy: 0.6923522613199589
Energy: 0.01710588935417766
Energy: 0.015685759281113848
Energy: 0.6966781122033124
Energy: 0.015652438751725596
Energy: 0.017105889354413248
Energy: 0.692352261319723
Energy: 0.014950013556956049
Energy: 0.01548258931402472
Energy: 0.015247731531389135
Energy: 1.6475126795162043
Energy: 0.015247731437676926
Energy: 0.01548258931446972
Energy: 0.014950013556956049
Energy: 0.015482589314260308
Energy: 0.015247731322552261
Energy: 1.6475126795162043
Energy: 0.6966781122033124
Energy: 0.015665015964580104
Energy: 0.017105889354648837
Energy: 0.692352261319723
Energy: 0.017105889354413248
Energy: 0.01567168618243609
Energy: 0.6966781122033124
Energy: 0.015663203058677657
Energy: 0.017105889354884427
Energy: 0.6923522613199589
Energy: 0.014950013556956049
Energy: 0.01548258931402472
Energy: 0.015247731580417897
Energy: 1.647512679515969
Energy: 0.015247731604605071
Energy: 0.015482589314260308
Energy: 0.014950013556956049
Energy: 0.015482589314260308
Energy: 0.015247731282711485
Energy: 1.6475126795162043

minimum gb energy = 0.014950013556956049 eV
minimum distance =  2.40054804915709 Angstroms
sigma value = 3


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

Energy: 1.418017152520798
Energy: 1.2305533858528515
Energy: 1.275149949202941
Energy: 1.4102464417901597
Energy: 1.2767055615547132
Energy: 1.2632675682264414
Energy: 1.4180171525213625
Energy: 1.2305533858511586
Energy: 1.2751499492040697
Energy: 1.4102464417918525
Energy: 1.3231997124935229
Energy: 1.2798574388959123
Energy: 1.3118316035890685
Energy: 1.2995955814591436
Energy: 1.2816143321313638
Energy: 1.2667187714491428
Energy: 1.32319971249183
Energy: 1.2798574388959123
Energy: 1.3118316035913253
Energy: 1.2995955814591436
Energy: 1.3150580670880354
Energy: 1.2136202063672192
Energy: 1.236320390405405
Energy: 1.2239113182740506
Energy: 1.2396869837336755
Energy: 1.212562588333764
Energy: 1.315058067087471
Energy: 1.2136202063677837
Energy: 1.2363203904048408
Energy: 1.223911318272922
Energy: 1.2555056425743871
Energy: 1.1960453548748935
Energy: 1.2043860779061544
Energy: 1.249751657289455
Energy: 1.239252887759026
Energy: 1.2259756410900458
Energy: 1.2555056425743871
Energy: 1.196045354875458
Energy: 1.2043860779061544
Energy: 1.2497516572900191
Energy: 1.2601472663345288
Energy: 1.2224977581369956
Energy: 1.246681251684911
Energy: 1.2132663634597998
Energy: 1.198654152173784
Energy: 1.2268062013680567
Energy: 1.260147266332272
Energy: 1.222497758135303
Energy: 1.2466812516837826
Energy: 1.2132663634609282
Energy: 1.2446198254786185
Energy: 1.2402074547491795
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Energy: 1.2665386325009746
Energy: 1.211913826358732
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Energy: 1.2665386325009746
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Energy: 1.2046856724161321
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Energy: 1.3304292248293517
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Energy: 1.2896948179170595
Energy: 1.313519379303589
Energy: 1.2800189560088686
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Energy: 1.2680643407260614
Energy: 1.3294624365958223
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Energy: 1.2800189560111257
Energy: 1.2271876027754027
Energy: 1.2794420010488192
Energy: 1.3123393769766993
Energy: 1.2546123721656717
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Energy: 1.2794420010488192
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Energy: 1.2546123721651077
Energy: 1.3175481596401166
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Energy: 1.2588879363337464
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Energy: 1.2875101583258084
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Energy: 1.2013106383527978
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Energy: 1.2161935910105846
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Energy: 1.2240214450250966
Energy: 1.2558546611565298
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Energy: 1.2128513382064003
Energy: 1.224021445023404
Energy: 1.2558546611554013
Energy: 1.2074657055762659
Energy: 1.2525350770473909
Energy: 1.2113578164738357
Energy: 1.2344289643177562
Energy: 1.2371137280566902
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Energy: 1.2525350770473909
Energy: 1.211357816474964
Energy: 1.2344289643177562
Energy: 1.2371137280544333
Energy: 1.2643058640512095
Energy: 1.299608440990815
Energy: 1.2815212853041944
Energy: 1.201911666188201
Energy: 1.2670702720663154
Energy: 1.2126983425031552
Energy: 1.2643058640506453
Energy: 1.2996084409891222
Energy: 1.2815212853025015
Energy: 1.2019116661876363
Energy: 1.2949558940895078
Energy: 1.2592651247752873
Energy: 1.2702354935018694
Energy: 1.2611210692313048
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Energy: 1.2333215540831257
Energy: 1.294955894090072
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Energy: 1.2702354935024336
Energy: 1.2611210692324335
Energy: 1.340065055607958
Energy: 1.2654602124737642
Energy: 1.317636862818345
Energy: 1.2277056294494078
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Energy: 1.2829719361907834
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Energy: 1.265460212471507
Energy: 1.3176368628206019
Energy: 1.2277056294516648
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Energy: 1.2459788268896927
Energy: 1.2764564841054693
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Energy: 1.3293458779168634
Energy: 1.2676668817619492
Energy: 1.2413147182572044
Energy: 1.2459788268874354
Energy: 1.276456484108855
Energy: 1.2677747486054824
Energy: 1.2646706543874162
Energy: 1.263577353961979
Energy: 1.2660145073901548
Energy: 1.2374056963521043
Energy: 1.2467241269115688
Energy: 1.2116737836271296
Energy: 1.2646706543879804
Energy: 1.2635773539625432
Energy: 1.2660145073878977
Energy: 1.2374056963504116
Energy: 1.2587613212695
Energy: 1.22261537543027
Energy: 1.2210107647821853
Energy: 1.2470797070952142
Energy: 1.2806074970117782
Energy: 1.2115412192890536
Energy: 1.258761321267243
Energy: 1.2226153754297058
Energy: 1.221010764783314
Energy: 1.2470797070957786
Energy: 1.2126749239435628
Energy: 1.2569109813131156
Energy: 1.2229523678361571
Energy: 1.210292235965996
Energy: 1.2270619746906715
Energy: 1.1987853695551547
Energy: 1.2126749239435628
Energy: 1.2569109813136798
Energy: 1.2229523678344647
Energy: 1.2102922359643034
Energy: 1.263506765853817
Energy: 1.2616384910371221
Energy: 1.1959989879716733
Energy: 1.2246802957013385
Energy: 1.225773410343873
Energy: 1.2013693093052125
Energy: 1.2635067658532526
Energy: 1.2616384910371221
Energy: 1.1959989879722377
Energy: 1.2246802957024672
Energy: 1.2858802078551124
Energy: 1.2290049788865176
Energy: 1.2148407874650475
Energy: 1.3151873043184525
Energy: 1.2127413870025083
Energy: 1.2758936506330465
Energy: 1.2858802078534197
Energy: 1.2290049788882105
Energy: 1.2148407874656117
Energy: 1.3151873043212738
Energy: 1.2991456135314046
Energy: 1.3177023212765608
Energy: 1.2280202620488747
Energy: 1.313463348199807
Energy: 1.201747794223052
Energy: 1.2771489547127428
Energy: 1.2991456135297117
Energy: 1.3177023212765608
Energy: 1.2280202620516962
Energy: 1.313463348202064
Energy: 1.3578160720744117
Energy: 1.2768355366079702
Energy: 1.2162989796825572
Energy: 1.3743909383157435
Energy: 1.2305533858235105
Energy: 1.275149949202941
Energy: 1.3578160720749761
Energy: 1.2768355366074062
Energy: 1.2162989796836858
Energy: 1.3743909383174364
Energy: 1.2995955814568865
Energy: 1.2816143321324924
Energy: 1.2667187714502712
Energy: 1.3231997124929586
Energy: 1.2798574388942197
Energy: 1.311831603590761
Energy: 1.2995955814591436
Energy: 1.2816143321302353
Energy: 1.2667187714480141
Energy: 1.323199712492394
Energy: 1.2858802078545484
Energy: 1.2396869837342395
Energy: 1.2125625883315072
Energy: 1.315058067086907
Energy: 1.2136202063683477
Energy: 1.2363203904048408
Energy: 1.2858802078545484
Energy: 1.2396869837342395
Energy: 1.2125625883315072
Energy: 1.3150580670880354
Energy: 1.2497516572888907
Energy: 1.2392528877618472
Energy: 1.2259336043041322
Energy: 1.2555056425749516
Energy: 1.1960453548748935
Energy: 1.204386077905026
Energy: 1.2497516572905834
Energy: 1.239252887759026
Energy: 1.2259336043046964
Energy: 1.2555056425743871

minimum gb energy = 1.1959989879716733 eV
minimum distance =  2.27167305392093 Angstroms
sigma value = 75


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

Energy: 1.4407095596875061
Energy: 1.2901043845055018
Energy: 1.2591436516187653
Energy: 1.5078788323375658
Energy: 1.2714325899848504
Energy: 1.2966024428544682
Energy: 1.4407095596875061
Energy: 1.2901043845068787
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Energy: 1.507878832337841
Energy: 1.2180114849320596
Energy: 1.2387670422636061
Energy: 1.2223638914978505
Energy: 1.2834882070347147
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Energy: 1.2387670422636061
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Energy: 1.2834882070344396
Energy: 1.3190580833977805
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Energy: 1.2479251359672279
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Energy: 1.2305825996779218
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Energy: 1.3190580833972299
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Energy: 1.2193820104299495
Energy: 1.2732063335016721
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Energy: 1.1912840741684456
Energy: 1.2038292848803787
Energy: 1.2549069846255085
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Energy: 1.2732063335016721
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Energy: 1.1986118231676892
Energy: 1.2272952968932784
Energy: 1.2467955086538915
Energy: 1.2490008398886172
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Energy: 1.3762048857686962
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Energy: 1.2741261158110138
Energy: 1.1987410443738895
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Energy: 1.2551765334778415
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Energy: 1.451875049950002
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minimum gb energy = 1.1842729185959964 eV
minimum distance =  2.2233430613734 Angstroms
sigma value = 105


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

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Energy: 1.0916482189222967
Energy: 1.2594093263582224
Energy: 1.3128091409879878
Energy: 1.285499569467109
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Energy: 1.2661985811554706
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Energy: 1.3471107489349916
Energy: 1.2692131320779212
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Energy: 1.4266340623688314
Energy: 1.2692131320779212
Energy: 1.2427289253062095
Energy: 1.260834192230348
Energy: 1.295253518264162
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Energy: 1.4267618599511138
Energy: 1.2657614224973628
Energy: 1.3164375751687645
Energy: 1.2443097367358797
Energy: 1.242741436085849
Energy: 1.1960125508983155
Energy: 1.4267618599498717
Energy: 1.2657614224982945
Energy: 1.311432188519595
Energy: 1.414188252149337
Energy: 1.2493690546754386
Energy: 1.2248474825016287
Energy: 1.3464170385683418
Energy: 1.0917412602805527
Energy: 1.3114321885192843
Energy: 1.4141882521484053
Energy: 1.2493690546760596
Energy: 1.224847482501939
Energy: 1.2054855860121327
Energy: 1.2625655331978711
Energy: 1.4660553886628378
Energy: 1.331994188018758
Energy: 1.2403853015356043
Energy: 1.2618282761968553
Energy: 1.2054855860124436
Energy: 1.262565533194765
Energy: 1.4660553886625274
Energy: 1.331994188018137
Energy: 1.2937731951787743
Energy: 1.0918973305645103
Energy: 1.3467494611321058
Energy: 1.1418819313513098
Energy: 1.313016086591217
Energy: 1.1236985424381642
Energy: 1.2937731951778706
Energy: 1.0918973305673056
Energy: 1.3467494611321058
Energy: 1.1418819313509991
Energy: 1.0655397830664581
Energy: 1.1327378617445938
Energy: 1.1725297140838749
Energy: 1.2279691301924232
Energy: 1.42630280714623
Energy: 1.105977871154294
Energy: 1.0655397830677007
Energy: 1.1327378617433512
Energy: 1.1725297140844961
Energy: 1.2279691301927338
Energy: 1.2436170270409352
Energy: 1.1862289471132765
Energy: 1.1219560072876213
Energy: 1.1830956383621483
Energy: 1.244122246125239
Energy: 1.243313315914984
Energy: 1.2436170270412459
Energy: 1.1862289471132765
Energy: 1.1219560072866894
Energy: 1.1830956383621483
Energy: 1.252086860411049
Energy: 1.3323884253906537
Energy: 1.2740137193906331
Energy: 1.3476402823964433
Energy: 1.201281913885948
Energy: 1.3594547490560014
Energy: 1.2520868604116702
Energy: 1.3323884253909641
Energy: 1.2740137193909438
Energy: 1.3476402823961326

minimum gb energy = 1.0655397830664581 eV
minimum distance =  2.24639588821476 Angstroms
sigma value = 165


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

Energy: 1.2691663384885439
Energy: 1.3546474070316685
Energy: 1.1970444288557813
Energy: 1.5982513934457
Energy: 1.1959695020289784
Energy: 1.3548296712317942
Energy: 1.2691663384885439
Energy: 1.3546474070316685
Energy: 1.1970444288557813
Energy: 1.5982513934457
Energy: 1.210256514531161
Energy: 1.2173760917592582
Energy: 1.1958729996129003
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Energy: 1.2173760917592582
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Energy: 1.2130834030825757
Energy: 1.2148391562781813
Energy: 1.3736735024303337
Energy: 1.278495231380681
Energy: 1.224594862726936
Energy: 1.2143394164009516
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Energy: 1.2195352313025198
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Energy: 1.2148106920908321
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Energy: 1.2158429531201351
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Energy: 1.2135099777755973
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Energy: 1.2225268118601544
Energy: 1.2158429531201351
Energy: 1.1849546915770521
Energy: 1.2135099777745308
Energy: 1.2214542927530219
Energy: 1.2014085231695073
Energy: 1.2010259847911118
Energy: 1.2087562456151437
Energy: 1.1962986543165748
Energy: 1.1862490243209527
Energy: 1.2214542927530219
Energy: 1.2014085231695073
Energy: 1.201025984792178
Energy: 1.2087562456151437
Energy: 1.1991228239160192
Energy: 1.275635024150543
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Energy: 1.3735251484538296
Energy: 1.2145023917376034
Energy: 1.2156697221031414
Energy: 1.1991228239160192
Energy: 1.2756350241516092
Energy: 1.2553959932729697
Energy: 1.3735251484538296
Energy: 1.2150611059765342
Energy: 1.2090771699053287
Energy: 1.2122299112404815
Energy: 1.2137952434890107
Energy: 1.1850698640777322
Energy: 1.2152789040097975
Energy: 1.2150611059765342
Energy: 1.2090771699053287
Energy: 1.2122299112404815
Energy: 1.2137952434890107
Energy: 1.2243322888288215
Energy: 1.278495231380681
Energy: 1.3736714114343789
Energy: 1.214847593507859
Energy: 1.2840698554187497
Energy: 1.2145759439755492
Energy: 1.2243322888288215
Energy: 1.278495231380681
Energy: 1.3736714114343789
Energy: 1.214847593507859
Energy: 1.2132437724995613
Energy: 1.1959667273774968
Energy: 1.2173526783962776
Energy: 1.2101843083712724
Energy: 1.2158945438713682
Energy: 1.1851266388345616
Energy: 1.2132437724995613
Energy: 1.1959667273774968
Energy: 1.217352678397344
Energy: 1.2101843083712724
Energy: 1.2785017171596949
Energy: 1.195969502027912
Energy: 1.3548296712328605
Energy: 1.2691663384885439
Energy: 1.3546474070316685
Energy: 1.1970444288557813
Energy: 1.2785017171596949
Energy: 1.195969502027912
Energy: 1.3548296712317942
Energy: 1.2691663384885439

minimum gb energy = 1.1849470920237453 eV
minimum distance =  2.26595188368711 Angstroms
sigma value = 41


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

Energy: 1.2410155432611274
Energy: 1.3954401652365884
Energy: 1.1221360684181059
Energy: 1.6832677619474976
Energy: 1.09340902357119
Energy: 1.1361886205183747
Energy: 1.2410155432636096
Energy: 1.395440165237002
Energy: 1.122136068416451
Energy: 1.6832677619466703
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Energy: 1.1342769146384097
Energy: 1.1459100710544747
Energy: 1.145599794011104
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Energy: 1.1459100710553023
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Energy: 1.1403750275555748
Energy: 1.1708904773662674
Energy: 1.140425017579403
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Energy: 1.1223047367302283
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Energy: 1.4131752617937496
Energy: 1.0953299862483772
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Energy: 1.0953299862479633
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Energy: 1.1895891791662903
Energy: 1.1399111654222338
Energy: 1.1271434690286877
Energy: 1.3210992808486361
Energy: 1.1247432001201296
Energy: 1.1361644486381586
Energy: 1.145253594430013
Energy: 1.1455438905017763
Energy: 1.2101921800959368
Energy: 1.149007920349777
Energy: 1.1150873612783463
Energy: 1.2320081890060717
Energy: 1.145253594431668
Energy: 1.1455438905005355
Energy: 1.210192180095523
Energy: 1.1490079203522594
Energy: 1.1841961094110827
Energy: 1.1235616286213996
Energy: 1.210184650253111
Energy: 1.1468574106956095
Energy: 1.1476929565783744
Energy: 1.0945049694956528
Energy: 1.1841961094127376
Energy: 1.123561628620986
Energy: 1.2101846502551796
Energy: 1.146857410695196
Energy: 1.1188091961800253
Energy: 1.1208109146679819
Energy: 1.3956662491305065
Energy: 1.1211054386918347
Energy: 1.3147699870519356
Energy: 1.1374355314199112
Energy: 1.1188091964665885
Energy: 1.1208109146700505
Energy: 1.3956662491317477
Energy: 1.1211054386922483
Energy: 1.1403775559179183
Energy: 1.1227879327803665
Energy: 1.1850132973929064
Energy: 1.1242004534481271
Energy: 1.1343968529423107
Energy: 1.116338851272377
Energy: 1.1403775559175047
Energy: 1.1227879327803665
Energy: 1.185013297394975
Energy: 1.1242004534398526
Energy: 1.2160383839069149
Energy: 1.1456915997250354
Energy: 1.145914578465236
Energy: 1.220709086302274
Energy: 1.1533932402599618
Energy: 1.1159835222902605
Energy: 1.2160383839077422
Energy: 1.1456915997237944
Energy: 1.1459145784635811
Energy: 1.220709086303515
Energy: 1.147877184044005
Energy: 1.1865559997150368
Energy: 1.1229860137019303
Energy: 1.1409070285094696
Energy: 1.1535633191756398
Energy: 1.1506510191119177
Energy: 1.1478771840448325
Energy: 1.1865559997146229
Energy: 1.1229860137011027
Energy: 1.1409070285082283
Energy: 1.1399501543440806
Energy: 1.120586319686374
Energy: 1.120739471118028
Energy: 1.3330188290796412
Energy: 1.1223246055593408
Energy: 1.3023406386539222
Energy: 1.139950154344494
Energy: 1.120586319658654
Energy: 1.1207394711184417
Energy: 1.333018829080469
Energy: 1.1484663276096714
Energy: 1.2201644204738045
Energy: 1.1236332032492033
Energy: 1.2716198076613157
Energy: 1.1179233581369334
Energy: 1.1476695851338443
Energy: 1.148466327606775
Energy: 1.2201644204746318
Energy: 1.1236332032483758
Energy: 1.2716198076600749
Energy: 1.1673986751622198
Energy: 1.2206907871610226
Energy: 1.14576802988774
Energy: 1.1452570825808581
Energy: 1.2216708892314898
Energy: 1.115449791400457
Energy: 1.1673986751630472
Energy: 1.22069078716185
Energy: 1.1457680298869126
Energy: 1.1452570825804442
Energy: 1.1543482846567488
Energy: 1.0942216374565485
Energy: 1.2403924995242004
Energy: 1.1320902909627213
Energy: 1.1398503344659006
Energy: 1.1893260057347026
Energy: 1.154348284656335
Energy: 1.0942216374590312
Energy: 1.2403924995225455
Energy: 1.1320902909639623
Energy: 1.2882129582150172
Energy: 1.124185752161138
Energy: 1.121601921297378
Energy: 1.1209549031059984
Energy: 1.1544616883511227
Energy: 1.1495435462636283
Energy: 1.2882129582146038
Energy: 1.124185752162793
Energy: 1.1216019212853798
Energy: 1.120954903105171
Energy: 1.1892672116800362
Energy: 1.148531984169787
Energy: 1.2214421402872258
Energy: 1.1222247976797635
Energy: 1.1461209058404342
Energy: 1.156866826572704
Energy: 1.1892672116816911
Energy: 1.1485319841673047
Energy: 1.221442140285571
Energy: 1.1222247976810047

minimum gb energy = 1.09340902357119 eV
minimum distance =  2.31391457781036 Angstroms
sigma value = 185


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

Energy: 1.1695244904218745
Energy: 1.1795347017103839
Energy: 1.3680640250356708
Energy: 1.615005725779143
Energy: 1.3679581184524832
Energy: 1.2117451839014766
Energy: 1.1695244904208923
Energy: 1.1795347017039994
Energy: 1.3680640250341973
Energy: 1.615005725779143
Energy: 1.39712728156569
Energy: 1.2655967895232183
Energy: 1.1530874741755721
Energy: 1.1942014161134729
Energy: 1.1760792121240715
Energy: 1.2828960483022345
Energy: 1.3971272815676548
Energy: 1.2655967895237095
Energy: 1.15308747417459
Energy: 1.194201416113964
Energy: 1.1641534659137114
Energy: 1.1763477688444521
Energy: 1.4157060206575625
Energy: 1.368187033465349
Energy: 1.1766958535739818
Energy: 1.1691615702445992
Energy: 1.1641534659137114
Energy: 1.1763477688439612
Energy: 1.4157060206575625
Energy: 1.3681870334643667
Energy: 1.3781308275528827
Energy: 1.176614044277536
Energy: 1.1940384662288017
Energy: 1.1549458575703038
Energy: 1.1592792900431035
Energy: 1.1272868174307469
Energy: 1.3781308275523916
Energy: 1.176614044277536
Energy: 1.1940384662278196
Energy: 1.154945857570795
Energy: 1.1705783656513604
Energy: 1.1484192272646525
Energy: 1.1950390969611144
Energy: 1.4200411279866207
Energy: 1.4041183255105534
Energy: 1.1267041910127729
Energy: 1.1705783656518514
Energy: 1.1484192272636702
Energy: 1.1950390969606235
Energy: 1.4200411279861296
Energy: 1.1867671732587237
Energy: 1.3680365181669056
Energy: 1.3465359985330236
Energy: 1.185205021028455
Energy: 1.1691886395653077
Energy: 1.3393622292373524
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Energy: 1.3680365181664145
Energy: 1.3465359985340057
Energy: 1.1852050210309104
Energy: 1.1851781459464457
Energy: 1.4231012826299283
Energy: 1.3680889591628316
Energy: 1.1782532665510044
Energy: 1.3383253048139485
Energy: 1.1928913019323848
Energy: 1.1851781459464457
Energy: 1.4231012826304195
Energy: 1.3680889591608671
Energy: 1.178253266549531
Energy: 1.419286642632856
Energy: 1.1686822071487086
Energy: 1.1482290758401879
Energy: 1.2247246451549414
Energy: 1.1267576368124173
Energy: 1.4043589205212768
Energy: 1.4192866426318738
Energy: 1.1686822071487086
Energy: 1.1482290758426437
Energy: 1.2247246451544502
Energy: 1.154968591867322
Energy: 1.193924839288329
Energy: 1.1767781313352472
Energy: 1.4561520372246703
Energy: 1.127054431882413
Energy: 1.172110957173203
Energy: 1.154968591866831
Energy: 1.1939248392878377
Energy: 1.1767781313372114
Energy: 1.4561520372261438
Energy: 1.368396196665451
Energy: 1.449655638410633
Energy: 1.1770382459928084
Energy: 1.1884260701078304
Energy: 1.1693158287794023
Energy: 1.1769018969443363
Energy: 1.368396196665451
Energy: 1.4496556384121062
Energy: 1.1770382459932993
Energy: 1.1884260701088127
Energy: 1.194270706228659
Energy: 1.1482465232919317
Energy: 1.3023091987725244
Energy: 1.4191743541622694
Energy: 1.304209932981153
Energy: 1.1770586450105263
Energy: 1.1942707062291502
Energy: 1.1482465232919317
Energy: 1.3023091987720334
Energy: 1.4191743541612871
Energy: 1.5449865297574032
Energy: 1.3679808957590696
Energy: 1.2331134185961883
Energy: 1.3843556757065916
Energy: 1.1619933893218886
Energy: 1.3680640250351794
Energy: 1.5449865297583854
Energy: 1.3679808957600517
Energy: 1.2331134185961883
Energy: 1.3843556757070827
Energy: 1.1942014161134729
Energy: 1.176079212122107
Energy: 1.304209932981153
Energy: 1.4193486104450594
Energy: 1.2655967895237095
Energy: 1.1530874741755721
Energy: 1.1942014161149461
Energy: 1.1760792121230892
Energy: 1.3042099329801708
Energy: 1.4193486104445685
Energy: 1.368475564842448
Energy: 1.1766958535744727
Energy: 1.1911288783124907
Energy: 1.1641534659142025
Energy: 1.1760745735763964
Energy: 1.449655638410633
Energy: 1.3684755648414655
Energy: 1.1766958535734906
Energy: 1.1911288783124907
Energy: 1.1641534659142025
Energy: 1.1549410493126964
Energy: 1.1592792900421214
Energy: 1.1272868174302555
Energy: 1.3781308275523916
Energy: 1.1764180941279259
Energy: 1.1938212981437688
Energy: 1.1549410493126964
Energy: 1.1592792900435946
Energy: 1.1272868174312378
Energy: 1.3781308275523916
Energy: 1.420041127987112
Energy: 1.4041183255105534
Energy: 1.126704191013264
Energy: 1.1705783656518514
Energy: 1.1484192272641613
Energy: 1.1950390969606235
Energy: 1.4200411279866207
Energy: 1.4041183255105534
Energy: 1.126704191013264
Energy: 1.1705783656523425
Energy: 1.1852050210299283
Energy: 1.1868389683413547
Energy: 1.3393622292368612
Energy: 1.1883573670277978
Energy: 1.3680365181673968
Energy: 1.3420696876184768
Energy: 1.1852050210299283
Energy: 1.1868389683418459
Energy: 1.3393622292373524
Energy: 1.1883573670277978
Energy: 1.1782532665505132
Energy: 1.3383253048129664
Energy: 1.1928913019314027
Energy: 1.1851834382337814
Energy: 1.3877455311520606
Energy: 1.3680543382380312
Energy: 1.1782532665505132
Energy: 1.3383253048129664
Energy: 1.1928913019323848
Energy: 1.1851834382342725
Energy: 1.224724645153959
Energy: 1.1267576368133994
Energy: 1.4043589205207856
Energy: 1.419286642633347
Energy: 1.1641090170570387
Energy: 1.1527171028709604
Energy: 1.2247246451554323
Energy: 1.1267576368129082
Energy: 1.4043589205198035
Energy: 1.419286642632856
Energy: 1.4561520372251613
Energy: 1.127054431882413
Energy: 1.172110957173694
Energy: 1.1549685918663397
Energy: 1.1939248392868556
Energy: 1.1767781313357382
Energy: 1.4561520372251613
Energy: 1.127054431882904
Energy: 1.1721109571751673
Energy: 1.154968591866831
Energy: 1.1927322614889526
Energy: 1.1693158287798933
Energy: 1.1768659939019142
Energy: 1.368396196665451
Energy: 1.4157060206580534
Energy: 1.1770382459928084
Energy: 1.1927322614879705
Energy: 1.1693158287803846
Energy: 1.1768659939014228
Energy: 1.36839619666496
Energy: 1.3964020708127398
Energy: 1.2828960483022345
Energy: 1.177079597443039
Energy: 1.1944319305112143
Energy: 1.148139880400889
Energy: 1.3020412159133217
Energy: 1.3964020708107756
Energy: 1.2828960483027256
Energy: 1.1770795974450037
Energy: 1.1944319305112143
Energy: 1.1695244904223656
Energy: 1.1795347017447173
Energy: 1.3680640250351794
Energy: 1.3942981087923971
Energy: 1.3679581184524832
Energy: 1.1330141926469026
Energy: 1.1695244904208923
Energy: 1.1795347017515931
Energy: 1.3680640250356708
Energy: 1.394298109195425
Energy: 1.39712728156569
Energy: 1.2655967895232183
Energy: 1.1530874741755721
Energy: 1.1942014161134729
Energy: 1.1760792121235804
Energy: 1.2828960483022345
Energy: 1.3971272815676548
Energy: 1.2655967895227274
Energy: 1.15308747417459
Energy: 1.1942014161134729
Energy: 1.1641534659142025
Energy: 1.1763477688439612
Energy: 1.4157060206580534
Energy: 1.36818703346584
Energy: 1.1766958535739818
Energy: 1.1691615702455818
Energy: 1.1641534659137114
Energy: 1.17634776884347
Energy: 1.4157060206575625
Energy: 1.3681870334633845
Energy: 1.3781308275523916
Energy: 1.1766140442780268
Energy: 1.1940384662288017
Energy: 1.1549458575698126
Energy: 1.1592792900426125
Energy: 1.1272868174302555
Energy: 1.3781308275523916
Energy: 1.1766140442770445
Energy: 1.1940384662273285
Energy: 1.1549458575712859
Energy: 1.1705783656503779
Energy: 1.1484192272646525
Energy: 1.1950390969606235
Energy: 1.4200411279856384
Energy: 1.4041183255100622
Energy: 1.1267041910127729
Energy: 1.1705783656523425
Energy: 1.1484192272641613
Energy: 1.1950390969601323
Energy: 1.420041127987112
Energy: 1.2817953886312123
Energy: 1.3680365181664145
Energy: 1.3209387152467016
Energy: 1.185205021028946
Energy: 1.1691886395648168
Energy: 1.3393622292373524
Energy: 1.2817953886321944
Energy: 1.3680365181673968
Energy: 1.3209387152481749
Energy: 1.1852050210314016
Energy: 1.1851781459469368
Energy: 1.4231012826294374
Energy: 1.3680889591633225
Energy: 1.1782532665505132
Energy: 1.3383253048134576
Energy: 1.1928913019318936
Energy: 1.1851781459469368
Energy: 1.4231012826309106
Energy: 1.3680889591613583
Energy: 1.178253266550022
Energy: 1.4192866426338382
Energy: 1.1686822071496907
Energy: 1.1482290758411702
Energy: 1.2247246451549414
Energy: 1.1267576368124173
Energy: 1.4043589205212768
Energy: 1.419286642632365
Energy: 1.1686822071491998
Energy: 1.1482290758411702
Energy: 1.2247246451544502
Energy: 1.154968591866831
Energy: 1.1939248392878377
Energy: 1.1767781313357382
Energy: 1.4561520372246703
Energy: 1.1270544318819218
Energy: 1.172110957174185
Energy: 1.154968591866831
Energy: 1.1939248392873467
Energy: 1.1767781313372114
Energy: 1.4561520372261438
Energy: 1.368396196665451
Energy: 1.449655638410633
Energy: 1.1770382459928084
Energy: 1.1884260701083216
Energy: 1.1693158287798933
Energy: 1.1769018969443363
Energy: 1.368396196665451
Energy: 1.449655638411615
Energy: 1.1770382459937905
Energy: 1.1884260701093037
Energy: 1.194270706228659
Energy: 1.1482465232924228
Energy: 1.3023091987715423
Energy: 1.4191743541617783
Energy: 1.304209932981153
Energy: 1.1770586450095442
Energy: 1.1942707062291502
Energy: 1.1482465232924228
Energy: 1.3023091987720334
Energy: 1.4191743541612871

minimum gb energy = 1.1267041910127729 eV
minimum distance =  2.22929637888851 Angstroms
sigma value = 33


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

Energy: 1.2190917547522606
Energy: 1.2511206251594937
Energy: 1.2518028520608981
Energy: 1.6056194314215766
Energy: 1.2346084465493128
Energy: 1.2510969487754413
Energy: 1.21909175475253
Energy: 1.2511206251597633
Energy: 1.2518028520614373
Energy: 1.6056194314221155
Energy: 1.3673500885958692
Energy: 1.1942959140564375
Energy: 1.1431455246341857
Energy: 1.2113778219585263
Energy: 1.217830778385962
Energy: 1.2810826414519192
Energy: 1.3673500885958692
Energy: 1.1942959140709966
Energy: 1.1431455246341857
Energy: 1.2113778219577171
Energy: 1.2341707305117242
Energy: 1.1920383116959559
Energy: 1.187293064705184
Energy: 1.329075048447002
Energy: 1.2167873570381313
Energy: 1.2040681196728036
Energy: 1.2341707305133418
Energy: 1.192038311695147
Energy: 1.1872930647038364
Energy: 1.329075048444845
Energy: 1.187325432778187
Energy: 1.1923264989646034
Energy: 1.1869963931909786
Energy: 1.1583704975303812
Energy: 1.263762818402121
Energy: 1.3258042097288658
Energy: 1.1873254327789957
Energy: 1.1923264989635252
Energy: 1.186996393190709
Energy: 1.1583704975306508
Energy: 1.1869206911858925
Energy: 1.192134217368311
Energy: 1.1948793231981993
Energy: 1.3459051061436884
Energy: 1.2533680235792477
Energy: 1.1478317780177831
Energy: 1.1869206911869705
Energy: 1.1921342173672322
Energy: 1.194879323195773
Energy: 1.3459051061442273
Energy: 1.3344073501780924
Energy: 1.1922779303237905
Energy: 1.2608803257164047
Energy: 1.2056505856313915
Energy: 1.2170413255458856
Energy: 1.3261429817246995
Energy: 1.3344073501762048
Energy: 1.19227793032406
Energy: 1.2608803257142478
Energy: 1.2056505856322002
Energy: 1.1434898790677943
Energy: 1.28093176434171
Energy: 1.3555728945916319
Energy: 1.2676163732661199
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Energy: 1.2064491197923648
Energy: 1.1434898790672552
Energy: 1.2809317643406315
Energy: 1.355572894591093
Energy: 1.2676163732653107
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Energy: 1.2092895043772045
Energy: 1.2983649530530008
Energy: 1.213052868755871
Energy: 1.1967082413444237
Energy: 1.2181837505650899
Energy: 1.2429785569087655
Energy: 1.2092895043782828
Energy: 1.2983649530519221
Energy: 1.219190632373362
Energy: 1.2050028855845354
Energy: 1.3558429937783663
Energy: 1.157554032776015
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Energy: 1.2196859453101032
Energy: 1.2191906323736317
Energy: 1.2050028855850747
Energy: 1.3558429937772876
Energy: 1.157554032776824
Energy: 1.219156480339103
Energy: 1.1976320762078616
Energy: 1.2342065979936112
Energy: 1.191737271315791
Energy: 1.1899238264263303
Energy: 1.3462684944634775
Energy: 1.219156480339912
Energy: 1.1976320762073225
Energy: 1.2342065979930716
Energy: 1.191737271314982
Energy: 1.2883158035118645
Energy: 1.2181389833628917
Energy: 1.3409893445799836
Energy: 1.1922548830323474
Energy: 1.1867154003567493
Energy: 1.1933163065643693
Energy: 1.2883158035105164
Energy: 1.2181389833634313
Energy: 1.3409893445780963
Energy: 1.1922548830320778
Energy: 1.2532209532642944
Energy: 1.1484162120423138
Energy: 1.1879037214575199
Energy: 1.1917235550736973
Energy: 1.2021379890603314
Energy: 1.3258904720886897
Energy: 1.2532209532653724
Energy: 1.1484162120412351
Energy: 1.1879037214575199
Energy: 1.1917235550728884
Energy: 1.217109643023382
Energy: 1.1503829412397943
Energy: 1.3343614312054473
Energy: 1.1923148795624408
Energy: 1.237064094154128
Energy: 1.2049069644960355
Energy: 1.2171096430228432
Energy: 1.150382941240064
Energy: 1.334361431206795
Energy: 1.192314879564328
Energy: 1.2170890693925849
Energy: 1.205187176168913
Energy: 1.1433180004881331
Energy: 1.3087019233179715
Energy: 1.344886862143576
Energy: 1.2525551049707309
Energy: 1.2170890693931244
Energy: 1.2051871761697217
Energy: 1.1433180004884027
Energy: 1.3087019233166235
Energy: 1.2011235137421248
Energy: 1.206391038282082
Energy: 1.1468626569023397
Energy: 1.238954758932536
Energy: 1.2190687906815432
Energy: 1.2984473028997117
Energy: 1.2011235137418548
Energy: 1.206391038282082
Energy: 1.146862656902879
Energy: 1.2389547589333447
Energy: 1.1435094443375609
Energy: 1.2351685129768404
Energy: 1.2196449289011555
Energy: 1.2049280782235934
Energy: 1.123118493201862
Energy: 1.3377370832395927
Energy: 1.143509444336752
Energy: 1.2351685129754923
Energy: 1.2196449289022342
Energy: 1.2049280782233238
Energy: 1.239449743368403
Energy: 1.3288049612900008
Energy: 1.219080552921037
Energy: 1.1975833159286258
Energy: 1.1796122375945142
Energy: 1.1923806189333275
Energy: 1.2394497433689422
Energy: 1.3288049612910795
Energy: 1.2190805529202278
Energy: 1.1975833159294347
Energy: 1.1867193036753863
Energy: 1.191285347139114
Energy: 1.288482021499444
Energy: 1.2180683336564853
Energy: 1.3410423708646377
Energy: 1.1921698049893605
Energy: 1.1867193036751162
Energy: 1.191285347138575
Energy: 1.2884820214983652
Energy: 1.2180683336545983
Energy: 1.229723707465369
Energy: 1.3259386863639826
Energy: 1.253320624814425
Energy: 1.1574299298968669
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Energy: 1.1921143526719615
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Energy: 1.219502299511491
Energy: 1.276156036777603
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Energy: 1.3252233333741315
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Energy: 1.2243351980225747
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Energy: 1.356940136553548
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Energy: 1.3252233333735925
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Energy: 1.2500410571776441
Energy: 1.1432337502804493
Energy: 1.2054176810899762
Energy: 1.3447839761080669
Energy: 1.23431707507701
Energy: 1.1953731039290822
Energy: 1.3058813609217736
Energy: 1.14323375027991
Energy: 1.2054176810905157
Energy: 1.344783976107258
Energy: 1.23431707507701
Energy: 1.2524339558401771
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Energy: 1.1821436158956666
Energy: 1.19722375747603
Energy: 1.2341854900159308
Energy: 1.2328529485829625
Energy: 1.2524339558409863
Energy: 1.2873241350334288
Energy: 1.1821436158953968
Energy: 1.1972237574749514
Energy: 1.289176056437573
Energy: 1.2587054080256925
Energy: 1.1404009034355986
Energy: 1.2049598835926794
Energy: 1.2303160803443107
Energy: 1.2285892110095267
Energy: 1.2891760564367643
Energy: 1.2587054080262319
Energy: 1.1404009034355986
Energy: 1.2049598835934883
Energy: 1.186938394349777
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Energy: 1.2890140522737905
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Energy: 1.3563209583615732
Energy: 1.3297146389923642
Energy: 1.1869383943486986
Energy: 1.1480251156876653
Energy: 1.2890140522751388
Energy: 1.156342827962103

minimum gb energy = 1.123118493201862 eV
minimum distance =  2.2724725584985 Angstroms
sigma value = 219


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

Energy: 1.1620953666272966
Energy: 1.151285824324135
Energy: 1.1326855231383164
Energy: 1.8725434386088913
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Energy: 1.1338906060404332
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Energy: 1.0886121125663535
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Energy: 1.0884014999922296
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Energy: 1.2199236163669631
Energy: 1.1217299718304166
Energy: 1.0886121125663535
Energy: 1.1324527362360608
Energy: 1.0884014999922296
Energy: 1.132678574425933
Energy: 1.088710757826796
Energy: 1.1200998100605761
Energy: 1.1338850658881319
Energy: 1.1340432409590735
Energy: 1.0895108890960932
Energy: 1.1722336958122272
Energy: 1.0887107578285804
Energy: 1.1200998100605761
Energy: 1.1338850658881319
Energy: 1.1340432409590735
Energy: 1.1328893320610884
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Energy: 1.1326687850009938
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Energy: 1.1759549620298375
Energy: 1.1516372364223642
Energy: 1.1328893320610884
Energy: 1.132616205582932
Energy: 1.1326687850009938
Energy: 1.342634822041957

minimum gb energy = 1.0884014999922296 eV
minimum distance =  2.3375962104315 Angstroms
sigma value = 15


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

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Energy: 1.3054497409182342
Energy: 1.3292599841209447
Energy: 1.6690860358465653
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Energy: 1.360832444031248
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Energy: 1.346893469513791
Energy: 1.3201196958045187
Energy: 1.364156643899576
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Energy: 1.3411237618772913
Energy: 1.3185587357894646
Energy: 1.3468934695148083
Energy: 1.3203255850046849
Energy: 1.3369669951947205
Energy: 1.3187245328287875
Energy: 1.359192961880989
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Energy: 1.362081990743949
Energy: 1.3203255850056421
Energy: 1.336966995193404
Energy: 1.3187245328291466
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minimum gb energy = 1.2974819185791027 eV
minimum distance =  2.25900105953928 Angstroms
sigma value = 293


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

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Energy: 1.3644315547439652
Energy: 1.3532268085260961
Energy: 1.3801712358761606
Energy: 1.3893851136092203
Energy: 1.358969318904378
Energy: 1.3865743716710481
Energy: 1.358969754489135
Energy: 1.3891941490600639
Energy: 1.3801712358761606
Energy: 1.3893851136096234
Energy: 1.3589693189039753
Energy: 1.3865743717487975
Energy: 1.2983377386911312
Energy: 1.5349425521589353
Energy: 1.3587166327816451
Energy: 1.3532382619452916
Energy: 1.3644484111445974
Energy: 1.4465692886828332
Energy: 1.2983377386915342
Energy: 1.5349425521593383
Energy: 1.3587166327812423
Energy: 1.3532382619452916
Energy: 1.3916164295506634
Energy: 1.2983641504232202
Energy: 1.3753240842699759
Energy: 1.3685598363774514
Energy: 1.3778210931179216
Energy: 1.3103911065630622
Energy: 1.3916164295506634
Energy: 1.2983641504236232
Energy: 1.3753240842691699
Energy: 1.3685598363778542
Energy: 1.4090706419863197
Energy: 1.2987735107129772
Energy: 1.336117589184972
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Energy: 1.313465429677787
Energy: 1.35604873254198
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Energy: 1.2987735107129772
Energy: 1.336117589184972
Energy: 1.3174137171338742
Energy: 1.3312960078590825
Energy: 1.46975492127538
Energy: 1.3703565638918462
Energy: 1.3014178020073637
Energy: 1.5511867487460005
Energy: 1.3271994224975843
Energy: 1.3312960078598886
Energy: 1.46975492127538
Energy: 1.3703565638922492
Energy: 1.3014178020069604
Energy: 1.3309939588145494
Energy: 1.3321490791275692
Energy: 1.3544787561240854
Energy: 1.4467802657380273
Energy: 1.3466756737515504
Energy: 1.31592786641446
Energy: 1.3309939588149524
Energy: 1.332149079127972
Energy: 1.3544787561240854
Energy: 1.4467802657372215
Energy: 1.3680714841201884
Energy: 1.3373521286972678
Energy: 1.31177953619354
Energy: 1.4402010700325005
Energy: 1.2976775132571692
Energy: 1.3883330399374523
Energy: 1.3680714841201884
Energy: 1.3373521286976708
Energy: 1.31177953619354
Energy: 1.4402010700325005
Energy: 1.3685318376580198
Energy: 1.3855998763539275
Energy: 1.3856664373761354
Energy: 1.3686216148469046
Energy: 1.3158314971384883
Energy: 1.3158816380385554
Energy: 1.3685318376584226
Energy: 1.3855998763535247
Energy: 1.3856664373765386
Energy: 1.3686216148477104
Energy: 1.4401323621230344
Energy: 1.3118041954451634
Energy: 1.3370963974647674
Energy: 1.3680813768138782
Energy: 1.388413971167107
Energy: 1.297462603833256
Energy: 1.4401323621234374
Energy: 1.3118041954443571
Energy: 1.3370963974647674
Energy: 1.368081376813475
Energy: 1.4467548173163887
Energy: 1.3544675278956828
Energy: 1.332126280864697
Energy: 1.3308910119532618
Energy: 1.31586877403612
Energy: 1.3465763235107597
Energy: 1.4467548173163887
Energy: 1.3544675278956828
Energy: 1.3321262808651
Energy: 1.3308910119528583
Energy: 1.3016130828123624
Energy: 1.3705044262960757
Energy: 1.4697549212769923
Energy: 1.331230844111769
Energy: 1.3272299003288655
Energy: 1.5511867487455977
Energy: 1.3016130828123624
Energy: 1.3705044262956727
Energy: 1.469754921276589
Energy: 1.331230844111769
Energy: 1.3174991095736173
Energy: 1.3367090213848154
Energy: 1.2982952068671918
Energy: 1.409244153672491
Energy: 1.386186357002876
Energy: 1.3140019209291438
Energy: 1.3174991095740203
Energy: 1.3367090213844126
Energy: 1.2982952068667886
Energy: 1.409244153672491

minimum gb energy = 1.2974626038324502 eV
minimum distance =  2.22296100616203 Angstroms
sigma value = 293


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

Energy: 1.1177812870097283
Energy: 1.1687338181280924
Energy: 1.1679529472390844
Energy: 1.8342824591546718
Energy: 1.1680765427955198
Energy: 1.168729173801549
Energy: 1.117781287009
Energy: 1.1687338181280924
Energy: 1.1679529472398125
Energy: 1.8342824591546718
Energy: 1.1680920126056964
Energy: 1.8387041357544025
Energy: 1.1679387207491727
Energy: 1.5129777701524718
Energy: 1.6812961617176243
Energy: 1.168998570006472
Energy: 1.1680920126056964
Energy: 1.8387041357544025
Energy: 1.167938720748444
Energy: 1.5129777701517435
Energy: 1.1950809210368984
Energy: 1.115427808772432
Energy: 1.6297886008582443
Energy: 1.1156862910205942
Energy: 1.201144648483224
Energy: 1.1682663703085723
Energy: 1.1950809210368984
Energy: 1.115427808772432
Energy: 1.6297886008582443
Energy: 1.1156862910198655
Energy: 1.6297949308663553
Energy: 1.1155892563593641
Energy: 1.195113883269758
Energy: 1.1682699720575322
Energy: 1.2010608725137069
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Energy: 1.195113883269758
Energy: 1.1682699720575322
Energy: 1.167947608619547
Energy: 1.8387041357551313
Energy: 1.168098343915668
Energy: 1.1690063450116586
Energy: 1.6811539280671735
Energy: 1.5129353661181184
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Energy: 1.8387041357558598
Energy: 1.1680983439149395
Energy: 1.1690063450116586
Energy: 1.1680765427955198
Energy: 1.2645477815238044
Energy: 1.1177812870097283
Energy: 1.1687338181273639
Energy: 1.1679529472390844
Energy: 1.4934649062362737
Energy: 1.1680765427955198
Energy: 1.2645477815230761
Energy: 1.117781287009
Energy: 1.1687338181280924
Energy: 1.6812961617176243
Energy: 1.168998570006472
Energy: 1.1680920126056964
Energy: 1.7263224163789872
Energy: 1.167938720748444
Energy: 1.4358469630149384
Energy: 1.6812961617176243
Energy: 1.1689985700057437
Energy: 1.1680920126056964
Energy: 1.7263224163789872
Energy: 1.201144648483224
Energy: 1.1682663703078442
Energy: 1.1950809210368984
Energy: 1.115427808772432
Energy: 1.6297886008582443
Energy: 1.1156862910205942
Energy: 1.201144648483224
Energy: 1.1682663703085723
Energy: 1.1950809210368984
Energy: 1.115427808772432
Energy: 1.2010608725129783
Energy: 1.1156526899126962
Energy: 1.6297949308663553
Energy: 1.1155892563593641
Energy: 1.195113883269758
Energy: 1.1682699720575322
Energy: 1.2010608725137069
Energy: 1.1156526899119676
Energy: 1.6297949308670834
Energy: 1.1155892563593641
Energy: 1.6811539280671735
Energy: 1.5129353661181184
Energy: 1.167947608619547
Energy: 1.8387041357558598
Energy: 1.168098343915668
Energy: 1.1690063450116586
Energy: 1.681153928066445
Energy: 1.5129353661181184
Energy: 1.1679476086188185
Energy: 1.8387041357558598
Energy: 1.1679529472398125
Energy: 1.6045835407509454
Energy: 1.1680765427955198
Energy: 1.230245377011197
Energy: 1.1177812870097283
Energy: 1.1687338181280924
Energy: 1.1679529472390844
Energy: 1.6045835407502171
Energy: 1.1680765427955198
Energy: 1.230245377011197
Energy: 1.167938720748444
Energy: 1.2302815288254285
Energy: 1.6812961617176243
Energy: 1.168998570006472
Energy: 1.1680920126056964
Energy: 1.6304448521318542
Energy: 1.167938720748444
Energy: 1.2302815288254285
Energy: 1.6812961617176243
Energy: 1.168998570006472
Energy: 1.6297886008582443
Energy: 1.1156862910198655
Energy: 1.201144648483224
Energy: 1.1682663703078442
Energy: 1.1950809210368984
Energy: 1.115427808772432
Energy: 1.6297886008582443
Energy: 1.1156862910205942
Energy: 1.201144648483224
Energy: 1.1682663703085723
Energy: 1.195113883269758
Energy: 1.1682699720582606
Energy: 1.2010608725129783
Energy: 1.1156526899126962
Energy: 1.6297949308663553
Energy: 1.1155892563593641
Energy: 1.195113883269758
Energy: 1.1682699720575322
Energy: 1.2010608725137069
Energy: 1.1156526899119676
Energy: 1.1680983439149395
Energy: 1.1690063450116586
Energy: 1.6811539280671735
Energy: 1.5129353661173899
Energy: 1.167947608619547
Energy: 1.8387041357551313
Energy: 1.168098343915668
Energy: 1.1690063450116586
Energy: 1.681153928066445
Energy: 1.5129353661173899
Energy: 1.117781287009
Energy: 1.1687338181280924
Energy: 1.1679529472398125
Energy: 1.480812154082162
Energy: 1.1680765427955198
Energy: 1.1952601089335224
Energy: 1.1177812870097283
Energy: 1.1687338181280924
Energy: 1.1679529472390844
Energy: 1.480812154082162
Energy: 1.1680920126056964
Energy: 1.4992225687721827
Energy: 1.167938720748444
Energy: 1.1947679353818865
Energy: 1.6812961617176243
Energy: 1.168998570006472
Energy: 1.1680920126056964
Energy: 1.4992225687721827
Energy: 1.167938720748444
Energy: 1.1947679353818865
Energy: 1.1950809210368984
Energy: 1.115427808772432
Energy: 1.6297886008582443
Energy: 1.1156862910198655
Energy: 1.201144648483224
Energy: 1.1682663703078442
Energy: 1.1950809210368984
Energy: 1.115427808772432
Energy: 1.6297886008582443
Energy: 1.1156862910198655
Energy: 1.6297949308663553
Energy: 1.1155892563593641
Energy: 1.195113883269758
Energy: 1.1682699720582606
Energy: 1.2010608725129783
Energy: 1.1156526899126962
Energy: 1.6297949308663553
Energy: 1.1155892563593641
Energy: 1.195113883269758
Energy: 1.1682699720575322
Energy: 1.1679476086188185
Energy: 1.8387041357558598
Energy: 1.1680983439149395
Energy: 1.1690063450116586
Energy: 1.6811539280671735
Energy: 1.5129353661173899
Energy: 1.167947608619547
Energy: 1.8387041357558598
Energy: 1.168098343915668
Energy: 1.1690063450116586
Energy: 1.1680765427955198
Energy: 1.1952601089342507
Energy: 1.117781287009
Energy: 1.1687338181280924
Energy: 1.1679529472398125
Energy: 1.480812154082162
Energy: 1.1680765427955198
Energy: 1.1952601089335224
Energy: 1.1177812870097283
Energy: 1.1687338181280924
Energy: 1.6812961617176243
Energy: 1.168998570006472
Energy: 1.1680920126056964
Energy: 1.4992225687721827
Energy: 1.167938720748444
Energy: 1.194767935381158
Energy: 1.6812961617176243
Energy: 1.168998570006472
Energy: 1.1680920126056964
Energy: 1.4992225687721827

minimum gb energy = 1.115427808772432 eV
minimum distance =  2.25742640522614 Angstroms
sigma value = 15


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

Energy: 1.526409132615802
Energy: 1.267389001305505
Energy: 1.3077769035773932
Energy: 1.7174507633419671
Energy: 1.3077727132764227
Energy: 1.2680408277937776
Energy: 1.5264091326154718
Energy: 1.2673890013064955
Energy: 1.3077769035767326
Energy: 1.7174507633422973
Energy: 1.3543994803230912
Energy: 1.3554330058367658
Energy: 1.305446825199573
Energy: 1.3146489818241043
Energy: 1.3358289264829735
Energy: 1.2827229776890419
Energy: 1.3543994803234214
Energy: 1.355433005837426
Energy: 1.3054468252005635
Energy: 1.3146489818244345
Energy: 1.3000114037968953
Energy: 1.2691196380053356
Energy: 1.4387142141877645
Energy: 1.3165009339845366
Energy: 1.3205518601572506
Energy: 1.4355253262365086
Energy: 1.3000114037972255
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Energy: 1.316500933984867
Energy: 1.4157024738403894
Energy: 1.2711338832304495
Energy: 1.2828023802438355
Energy: 1.348624225627557
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Energy: 1.2827630316153211
Energy: 1.4157024738410497
Energy: 1.2711338832301193
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Energy: 1.348624225627887
Energy: 1.2919289288549665
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Energy: 1.2759033113161102
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Energy: 1.2759033113161102
Energy: 1.3136645323734317
Energy: 1.2916211420452723
Energy: 1.268877736049953
Energy: 1.3010400908868627
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Energy: 1.268877736049953
Energy: 1.3010400908862023
Energy: 1.306703648442842
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Energy: 1.2362663605696327
Energy: 1.248766118578486
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Energy: 1.3351291526553664
Energy: 1.3170221234859731
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Energy: 1.2487661185794767
Energy: 1.354081710806519
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Energy: 1.277663811995971
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Energy: 1.3144903796132592
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Energy: 1.2776638119966313
Energy: 1.2645721078026027
Energy: 1.300845218386083
Energy: 1.3047114675813822
Energy: 1.356397803520456
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Energy: 1.2700191939475023
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Energy: 1.3027960643063397
Energy: 1.283911450151294
Energy: 1.2729857316842033
Energy: 1.2877913869996793
Energy: 1.3054502613266932
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Energy: 1.2877913869983584
Energy: 1.2958741045041542
Energy: 1.3634471328375066
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Energy: 1.2958741045041542
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Energy: 1.2553578610323668
Energy: 1.4521117286854746
Energy: 1.2995484235204344
Energy: 1.30018604469276
Energy: 1.3331905506191373
Energy: 1.268993702170409
Energy: 1.4123198258502812
Energy: 1.314543776011626
Energy: 1.2995484235204344
Energy: 1.3001860446930902
Energy: 1.3331905506194675
Energy: 1.2689937021697486
Energy: 1.3640308432842472
Energy: 1.2918993080249126
Energy: 1.2705448513736899
Energy: 1.2930521482312667
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Energy: 1.2930521482312667
Energy: 1.3077366853118284
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Energy: 1.2687708480827788
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Energy: 1.318281370380995
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Energy: 1.2964643329154166
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Energy: 1.2549205460002795
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Energy: 1.3974943675873668
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Energy: 1.2972057302547522
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Energy: 1.397494367587697
Energy: 1.3709827130013772
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Energy: 1.4285534630684797
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Energy: 1.308527789029035
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Energy: 1.27157271173906
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Energy: 1.2692871689872276
Energy: 1.3303088675021533
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Energy: 1.3056256888135638
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Energy: 1.330308867501823
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Energy: 1.2946187043202593
Energy: 1.3144648344911793
Energy: 1.3036038692956013
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Energy: 1.2749808934158045
Energy: 1.3796427378423173
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Energy: 1.3144648344925005
Energy: 1.3036038692956013
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Energy: 1.356857546092738
Energy: 1.305053423016641
Energy: 1.3946978341018206
Energy: 1.2725083751029271
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Energy: 1.356857546093068
Energy: 1.3050534230173014
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Energy: 1.3365947775067384
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Energy: 1.2984185779394968
Energy: 1.2921062606161084
Energy: 1.4063123460249245
Energy: 1.2369975196987077
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Energy: 1.2984185779394968
Energy: 1.4903182529962073
Energy: 1.2889312940480848
Energy: 1.3168573544387574
Energy: 1.3280043082694926
Energy: 1.2925352672518797
Energy: 1.3006705246290713
Energy: 1.490318252997528
Energy: 1.2889312940474245
Energy: 1.3168573544387574
Energy: 1.3280043082704829
Energy: 1.2370741026692655
Energy: 1.4425338187268848
Energy: 1.3182067274471723
Energy: 1.3053742956503491
Energy: 1.4228276112358478
Energy: 1.3196040400146065
Energy: 1.237074102668605
Energy: 1.4425338187268848
Energy: 1.318206727446512
Energy: 1.3053742956503491
Energy: 1.2680287045631884
Energy: 1.3007583924109682
Energy: 1.3047032957262752
Energy: 1.3049901461525473
Energy: 1.2807480644730032
Energy: 1.4924659148053516
Energy: 1.2680287045628582
Energy: 1.3007583924112982
Energy: 1.3047032957262752
Energy: 1.3049901461515565
Energy: 1.308990707024069
Energy: 1.3036264614033413
Energy: 1.3128328182724636
Energy: 1.2558707908767788
Energy: 1.3193635817513751
Energy: 1.302806416300301
Energy: 1.3089907070230782
Energy: 1.3036264614036714
Energy: 1.3128328182718032
Energy: 1.2558707908777693
Energy: 1.2607758307920176
Energy: 1.3815646159372361
Energy: 1.316445033987501
Energy: 1.331554262718976
Energy: 1.389221874947567
Energy: 1.2846182930592838
Energy: 1.2607758307923478
Energy: 1.381564615936906
Energy: 1.3164450339871707
Energy: 1.3315542627193062
Energy: 1.2588095096442706
Energy: 1.2916177221811538
Energy: 1.3063063978050755
Energy: 1.33129470366918
Energy: 1.2826927635498844
Energy: 1.320706612919982
Energy: 1.258809509644931
Energy: 1.2916177221814837
Energy: 1.3063063978044152
Energy: 1.3312947036688498
Energy: 1.3324264865391502
Energy: 1.234646955728879
Energy: 1.3446791642919245
Energy: 1.254027300759339
Energy: 1.3117327717932685
Energy: 1.3006846919133748
Energy: 1.3324264865398108
Energy: 1.2346469557278883
Energy: 1.3446791642922549
Energy: 1.254027300759339
Energy: 1.268798350871692
Energy: 1.2968985713162806
Energy: 1.2804674335728738
Energy: 1.3074471823285423
Energy: 1.3149747421415698
Energy: 1.3035549475306751
Energy: 1.268798350871692
Energy: 1.29689857131529
Energy: 1.2804674335722133
Energy: 1.3074471823285423
Energy: 1.2725903520195114
Energy: 1.3197201288154328
Energy: 1.4229351864523823
Energy: 1.3275516878156683
Energy: 1.3179203526127838
Energy: 1.4407834084429105
Energy: 1.272590352019181
Energy: 1.3197201288147722
Energy: 1.4229351864523823
Energy: 1.3275516878163287
Energy: 1.2930264503936506
Energy: 1.2646960407319077
Energy: 1.3001613637816676
Energy: 1.4124313363379744
Energy: 1.314938132914791
Energy: 1.289630608534292
Energy: 1.2930264503939808
Energy: 1.2646960407315775
Energy: 1.3001613637823277
Energy: 1.4124313363376442
Energy: 1.3090344139661592
Energy: 1.3357223286433484
Energy: 1.295366269484591
Energy: 1.270136227026305
Energy: 1.2960153852636922
Energy: 1.3299821872879136
Energy: 1.3090344139658292
Energy: 1.335722328642688
Energy: 1.2953662694849213
Energy: 1.270136227025975
Energy: 1.2921160712319935
Energy: 1.2731152376759711
Energy: 1.286901671025195
Energy: 1.3055179140744542
Energy: 1.3543049925556758
Energy: 1.358241886610283
Energy: 1.2921160712319935
Energy: 1.2731152376753105
Energy: 1.2869016710261858
Energy: 1.3055179140744542
Energy: 1.3535306596787944
Energy: 1.2552749787102644
Energy: 1.4745742979711896
Energy: 1.3011865202382316
Energy: 1.3142296154175186
Energy: 1.2958073073375445
Energy: 1.3535306596784642
Energy: 1.2552749787109247
Energy: 1.47457429797185
Energy: 1.3011865202375712
Energy: 1.300808111481393
Energy: 1.331620952133329
Energy: 1.23625758699325
Energy: 1.272023526128295
Energy: 1.2709257468874418
Energy: 1.335297025554748
Energy: 1.3008081114810628
Energy: 1.331620952132999
Energy: 1.2362575869929198
Energy: 1.272023526128625
Energy: 1.3054607638883449
Energy: 1.2716059799187145
Energy: 1.2732840682393987
Energy: 1.2947896247823203
Energy: 1.2968746689221788
Energy: 1.3549181472702083
Energy: 1.3054607638876845
Energy: 1.2716059799187145
Energy: 1.2732840682400588
Energy: 1.2947896247826507
Energy: 1.3544646492096921
Energy: 1.2927492864360448
Energy: 1.321003197454339
Energy: 1.407601373128207
Energy: 1.3171238706756732
Energy: 1.2946188814660786
Energy: 1.3544646492096921
Energy: 1.2927492864357146
Energy: 1.3210031974536787
Energy: 1.407601373127877
Energy: 1.4012297841944967
Energy: 1.300673267956101
Energy: 1.2665769315268993
Energy: 1.2929457365734154
Energy: 1.273508255293542
Energy: 1.3146387922392158
Energy: 1.4012297841905343
Energy: 1.3006732679557707
Energy: 1.2665769315262387
Energy: 1.2929457365730848
Energy: 1.3302696585311773
Energy: 1.3201618229024499
Energy: 1.3399537728932083
Energy: 1.268935736873606
Energy: 1.4419847384793367
Energy: 1.2828467389765486
Energy: 1.3302696585311773
Energy: 1.3201618229024499
Energy: 1.3399537728941988
Energy: 1.2689357368739362
Energy: 1.3054550998051533
Energy: 1.2797673733408081
Energy: 1.2962533382723505
Energy: 1.2655076359795698
Energy: 1.2964527561875228
Energy: 1.3832170767404441
Energy: 1.305455099804823
Energy: 1.2797673733408081
Energy: 1.2962533382730108
Energy: 1.26550763598023
Energy: 1.2555983381910913
Energy: 1.2916643759012942
Energy: 1.2687154971296746
Energy: 1.2916677735154254
Energy: 1.3010172002442042
Energy: 1.3184599107556558
Energy: 1.2555983381914215
Energy: 1.2916643759016244
Energy: 1.2687154971296746
Energy: 1.2916677735144348
Energy: 1.3307947635263087
Energy: 1.306007752388757
Energy: 1.3585139756584974
Energy: 1.2597648111689264
Energy: 1.3407353253332108
Energy: 1.2588926651517853
Energy: 1.3307947635266388
Energy: 1.306007752388757
Energy: 1.3585139756575069
Energy: 1.2597648111689264

minimum gb energy = 1.2346469557278883 eV
minimum distance =  2.29200071347597 Angstroms
sigma value = 437


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

Energy: 1.3467958961693607
Energy: 1.387568966234756
Energy: 1.250789907313559
Energy: 1.7994517828191974
Energy: 1.2507102548723958
Energy: 1.3462183411128101
Energy: 1.3467958961705637
Energy: 1.387568966234756
Energy: 1.250789907313559
Energy: 1.7994517828191974
Energy: 1.2746117843525666
Energy: 1.4634547380717067
Energy: 1.2501663025179468
Energy: 1.216581873957957
Energy: 1.3794631435247375
Energy: 1.2880812312673977
Energy: 1.2746117843537694
Energy: 1.4634547380729097
Energy: 1.2501663025179468
Energy: 1.216581873957957
Energy: 1.1520636251216767
Energy: 1.2320631267345448
Energy: 1.2505861294358036
Energy: 1.196006554814706
Energy: 1.2510967685766874
Energy: 1.3904056560504026
Energy: 1.1520636251240826
Energy: 1.2320631267357476
Energy: 1.2505861294370066
Energy: 1.196006554813503
Energy: 1.2900723372526626
Energy: 1.2315035241475027
Energy: 1.2500320013779453
Energy: 1.2529331696651744
Energy: 1.25113391660967
Energy: 1.3435046157198192
Energy: 1.290072337288697
Energy: 1.2315035241487056
Energy: 1.2500320013779453
Energy: 1.2529331696639716
Energy: 1.1483817076800205
Energy: 1.2287183921515636
Energy: 1.2511358970061817
Energy: 1.2587190200537879
Energy: 1.2795903443946495
Energy: 1.2138183986653686
Energy: 1.1483817076812235
Energy: 1.2287183921539697
Energy: 1.2511358970061817
Energy: 1.2587190200513818
Energy: 1.2416030562383373
Energy: 1.3402885118469545
Energy: 1.2237413454215893
Energy: 1.2114317171805753
Energy: 1.2281438522503023
Energy: 1.2444228462265505
Energy: 1.2416030562371343
Energy: 1.3402885118481576
Energy: 1.2237413454215893
Energy: 1.2114317171817781
Energy: 1.2906043112101777
Energy: 1.2323349961125096
Energy: 1.3492374763316828
Energy: 1.296326549881189
Energy: 1.2506010139009363
Energy: 1.2321897598000837
Energy: 1.290604311211326
Energy: 1.2323349961137127
Energy: 1.3492374763328858
Energy: 1.2963265498835947
Energy: 1.1487304649774115
Energy: 1.2314705962736154
Energy: 1.2512205996088555
Energy: 1.253462744528117
Energy: 1.251479440569115
Energy: 1.2313937828303712
Energy: 1.1487304649774115
Energy: 1.2314705962748185
Energy: 1.2512205996088555
Energy: 1.253462744528117
Energy: 1.3375490038899889
Energy: 1.2894870871708546
Energy: 1.5348194852876065
Energy: 1.2135177683269232
Energy: 1.2505997719161772
Energy: 1.283771922644954
Energy: 1.337549003891192
Energy: 1.2894870871708546
Energy: 1.5348194852888095
Energy: 1.2135177683269232
Energy: 1.2273690396345618
Energy: 1.2275712152817582
Energy: 1.223662744053317
Energy: 1.2117192909807277
Energy: 1.2503598581117412
Energy: 1.3455499197924805
Energy: 1.227369039633359
Energy: 1.2275712152817582
Energy: 1.2236627440521137
Energy: 1.2117192909831336
Energy: 1.4300415639399051
Energy: 1.3404651369230427
Energy: 1.251433945868277
Energy: 1.2531018793683046
Energy: 1.3380769024439951
Energy: 1.2347320629299288
Energy: 1.4300415639411082
Energy: 1.3404651369218399
Energy: 1.251433945868277
Energy: 1.2531018793671018
Energy: 1.1485107334948252
Energy: 1.2316471354140537
Energy: 1.4065735275147138
Energy: 1.1951365980391684
Energy: 1.2515091576305073
Energy: 1.2316577326930638
Energy: 1.1485107334924192
Energy: 1.2316471354140537
Energy: 1.4065735275147138
Energy: 1.1951365980379651
Energy: 1.2524477631225366
Energy: 1.233170987259677
Energy: 1.3645476192791177
Energy: 1.252893122188283
Energy: 1.2512340638163009
Energy: 1.2881855979742163
Energy: 1.2524477631225366
Energy: 1.233170987259677
Energy: 1.3645476192791177
Energy: 1.2528931221870798
Energy: 1.1838554033809499
Energy: 1.3559567751748103
Energy: 1.250444312882122
Energy: 1.2120153591421747
Energy: 1.2236738122588986
Energy: 1.2323253389130064
Energy: 1.1838554033809499
Energy: 1.3559567751748103
Energy: 1.2504443128809193
Energy: 1.2120153591409717

minimum gb energy = 1.1483817076800205 eV
minimum distance =  2.28919750857733 Angstroms
sigma value = 33