Model name: model_name=SNAP_ZuoChenLi_2019_Ni__MO_365106510449_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=3.521521747112274
cohesive_energy=2.8873704626537773
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: -2.89356288719753 eV

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

Energy: 0.013329785749745929
Energy: 0.511134766869567
Energy: 0.511134766869567
Energy: 0.013329785749745929
Energy: 0.511134766869567
Energy: 0.511134766869567
Energy: 0.013329785749745929
Energy: 0.511134766869567
Energy: 0.511134766869567
Energy: 0.013329785749745929
Energy: 0.5073623278430403
Energy: 0.01662277175474381
Energy: 0.5079761092757051
Energy: 0.5073623278430403
Energy: 0.01662277175474381
Energy: 0.5079761092757051
Energy: 0.5073623278430403
Energy: 0.01662277175474381
Energy: 0.5079761092757051
Energy: 0.5073623278430403
Energy: 1.086628490940899
Energy: 0.7286333267651873
Energy: 0.3034689375659398
Energy: 1.086628490940899
Energy: 0.8577363734285923
Energy: 0.3034689375659398
Energy: 1.086628490940899
Energy: 0.3034689375659398
Energy: 0.8537648995118158
Energy: 1.086628490940899
Energy: 0.5073623278430403
Energy: 0.5079761092757051
Energy: 0.01662277175474381
Energy: 0.5073623278430403
Energy: 0.5079761092757051
Energy: 0.01662277175474381
Energy: 0.5073623278430403
Energy: 0.5079761092757051
Energy: 0.01662277175474381
Energy: 0.5073623278430403
Energy: 0.013329785749745929
Energy: 0.511134766869567
Energy: 0.511134766869567
Energy: 0.013329785749745929
Energy: 0.511134766869567
Energy: 0.511134766869567
Energy: 0.013329785749745929
Energy: 0.511134766869567
Energy: 0.511134766869567
Energy: 0.013329785749745929
Energy: 0.5073623278430403
Energy: 0.01662277175474381
Energy: 0.5079761092757051
Energy: 0.5073623278430403
Energy: 0.01662277175474381
Energy: 0.5079761092757051
Energy: 0.5073623278430403
Energy: 0.01662277175474381
Energy: 0.5079761092757051
Energy: 0.5073623278430403
Energy: 1.086628490940899
Energy: 0.23637006753449238
Energy: 0.3034689375659398
Energy: 1.086628490940899
Energy: 0.4671551793736593
Energy: 0.3034689375659398
Energy: 1.086628490940899
Energy: 0.7286333267651873
Energy: 0.3034689375659398
Energy: 1.086628490940899

minimum gb energy = 0.013329785749745929 eV
minimum distance =  2.27887131321428 Angstroms
sigma value = 3


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

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Energy: 1.5168143180841538
Energy: 1.5168827955571882
Energy: 1.2836820937202518
Energy: 1.5168143180841538
Energy: 1.5168827955609194
Energy: 1.319795419694429
Energy: 1.5168143180804226
Energy: 1.5168827955571882
Energy: 1.2836820937202518
Energy: 1.2604894101731015
Energy: 1.2387456034984206
Energy: 1.459542188025361
Energy: 1.2604894101768327
Energy: 1.2387456034984206
Energy: 1.4595421880290922
Energy: 1.2604894101768327
Energy: 1.2387456034984206
Energy: 1.4595421880290922
Energy: 1.2604894101731015
Energy: 1.2476236215696188
Energy: 1.4725598384025471
Energy: 1.4307641455415592
Energy: 1.2487379960865037
Energy: 1.4725598385628884
Energy: 1.4307641455415592
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Energy: 1.4725598395624189
Energy: 1.4307641455415592
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Energy: 1.5005996573671283
Energy: 1.5159314808089508
Energy: 1.0699407570837092
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Energy: 1.5159314808089508
Energy: 1.0699407570837092
Energy: 1.5005996573671283
Energy: 1.5159314808089508
Energy: 1.0699407570837092
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Energy: 1.0084604286261067
Energy: 1.5293117648109216
Energy: 1.3454161768091693
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Energy: 1.5120306172058515
Energy: 1.3592363964607546
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Energy: 1.5293117648071903
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Energy: 1.4979041955812298
Energy: 1.0691865084859484
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Energy: 1.4979041955812298
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Energy: 1.505620842664948
Energy: 1.0689655152556647
Energy: 1.5800099871280922
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Energy: 1.4470553144535956
Energy: 1.2936369935536363
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Energy: 1.500325304841035
Energy: 1.293864544594063
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Energy: 1.1499011915720818
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Energy: 1.1511500721069357
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Energy: 1.1499011915683506
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Energy: 1.2777625702148667
Energy: 1.2941874835330933
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Energy: 1.2941874834957807
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Energy: 1.5108785015758988
Energy: 1.0702146608741896
Energy: 1.5021145029792196
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Energy: 1.0702146608741896
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Energy: 1.5108785015796302
Energy: 1.0702146608741896
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Energy: 1.5108785015796302
Energy: 1.4634412417273113
Energy: 1.4417860197804646
Energy: 1.2376514857741576
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Energy: 1.4417860197804646
Energy: 1.2379750022995613
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Energy: 1.4417860197804646
Energy: 1.2376514857741576
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Energy: 1.1260997048073131
Energy: 1.1173656480778424
Energy: 1.4964274115158553
Energy: 1.1260997048073131
Energy: 1.1173656439044202
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Energy: 1.1173656433598975
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Energy: 1.1260997048073131
Energy: 1.3210013729605554
Energy: 1.5814644481314126
Energy: 1.5158684668201483
Energy: 1.2836862150550254
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Energy: 1.3210013729642864
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Energy: 1.4641910653536243
Energy: 1.4563047096409028
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Energy: 1.0703941716265373
Energy: 1.5167883968202702
Energy: 1.5002829118905487
Energy: 1.297428732651424
Energy: 1.0768706919137196
Energy: 1.5002829118905487
Energy: 1.2981327263215938
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Energy: 1.297428732651424
Energy: 1.0768706919174509
Energy: 1.5002829118905487
Energy: 1.0085616043605596
Energy: 1.3877115233886057
Energy: 1.5101156918284806
Energy: 1.0085616043605596
Energy: 1.358891149999627
Energy: 1.5136497836476046
Energy: 1.0085616043605596
Energy: 1.387711523392337
Energy: 1.5101156918284806
Energy: 1.0085616043605596
Energy: 1.507412458723435
Energy: 1.0700868763426559
Energy: 1.5126251363851906
Energy: 1.507412458723435
Energy: 1.0700868763426559
Energy: 1.5126251363814593
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Energy: 1.0700868763426559
Energy: 1.5126251363814593
Energy: 1.507412458723435
Energy: 1.2567571679909033
Energy: 1.4736182572640508
Energy: 1.277893893319711
Energy: 1.2567571679909033
Energy: 1.4736182572640508
Energy: 1.277893893319711
Energy: 1.256757167987172
Energy: 1.4736182572640508
Energy: 1.277893893319711
Energy: 1.2567571679909033
Energy: 1.1151943126838981
Energy: 1.4735909788246118
Energy: 1.2367851616547243
Energy: 1.1151943126838981
Energy: 1.4735909788246118
Energy: 1.2367874517958775
Energy: 1.1151943126876294
Energy: 1.4735909788246118
Energy: 1.2367851616547243
Energy: 1.1151943126876294
Energy: 1.2897674260417908
Energy: 1.5168143180841538
Energy: 1.5168827955571882
Energy: 1.2897305516203679
Energy: 1.5168143180841538
Energy: 1.5168827955609194
Energy: 1.2897674260417908
Energy: 1.5168143180841538
Energy: 1.5168827955571882
Energy: 1.2897305516203679
Energy: 1.2604894101731015
Energy: 1.2387456034984206
Energy: 1.4595421880290922
Energy: 1.2604894101731015
Energy: 1.2387456034984206
Energy: 1.4595421880290922
Energy: 1.2604894101768327
Energy: 1.2387456034984206
Energy: 1.4595421880290922
Energy: 1.2604894101731015
Energy: 1.2641961188067918
Energy: 1.4725598341508028
Energy: 1.4307641455415592
Energy: 1.2564462320758072
Energy: 1.4725598384286318
Energy: 1.4307641455415592
Energy: 1.2641961188067918
Energy: 1.4725598410505378
Energy: 1.4307641455415592
Energy: 1.256446232072076
Energy: 1.5005996573671283
Energy: 1.5159314808089508
Energy: 1.0699407570837092
Energy: 1.5005996573671283
Energy: 1.5159314808089508
Energy: 1.0699407570837092
Energy: 1.5005996573671283
Energy: 1.5159314808089508
Energy: 1.0699407570837092
Energy: 1.5005996573671283

minimum gb energy = 1.0084604286261067 eV
minimum distance =  2.22339104787354 Angstroms
sigma value = 75


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

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Energy: 1.1149230666236736
Energy: 1.1149416471335591
Energy: 1.2676935922899404
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minimum gb energy = 1.1149230666236736 eV
minimum distance =  2.16342373737075 Angstroms
sigma value = 105


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

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Energy: 1.4164171965048846
Energy: 1.4212535925639942
Energy: 1.3620084397016443
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Energy: 1.4215226915789774
Energy: 1.34380211588434
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Energy: 1.3235509618685224
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Energy: 1.3411748255784202
Energy: 1.2849631193020592
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Energy: 1.3825985704912107
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Energy: 1.348162285489266
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Energy: 1.3791432680007607
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Energy: 1.3593798156602965
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Energy: 1.3427819738604918
Energy: 1.3259152226851754
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Energy: 1.3579760955542963
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Energy: 1.405856029540685
Energy: 1.3579760955542963
Energy: 1.3259152226851754
Energy: 1.2649074355833323
Energy: 1.380486754654206
Energy: 1.373106651195976
Energy: 1.2649074355833323
Energy: 1.380486754654206
Energy: 1.3731066511980303
Energy: 1.2649074355833323
Energy: 1.380486754654206
Energy: 1.3731066511980303
Energy: 1.2649074355833323
Energy: 1.3410013645362393
Energy: 1.3697205458161674
Energy: 1.3286836266428508
Energy: 1.3410013645341854
Energy: 1.3697235213517625
Energy: 1.3286836266428508
Energy: 1.3410013645341854
Energy: 1.3697205458161674
Energy: 1.3286836266428508
Energy: 1.3410013645362393
Energy: 1.3827474969797555
Energy: 1.3241208307546655
Energy: 1.48707749517501
Energy: 1.3827474969797555
Energy: 1.3241118026832635
Energy: 1.48707749517501
Energy: 1.3827474969797555
Energy: 1.3241208307546655
Energy: 1.48707749517501
Energy: 1.3827474969797555
Energy: 1.315293583364414
Energy: 1.3665800971535123
Energy: 1.3452179229133203
Energy: 1.315293583364414
Energy: 1.3665800971535123
Energy: 1.3452179229153745
Energy: 1.315293583364414
Energy: 1.366580097155566
Energy: 1.3452179229153745
Energy: 1.315293583364414
Energy: 1.265342046372166
Energy: 1.4285716900864862
Energy: 1.3275211588815137
Energy: 1.265342046372166
Energy: 1.4284961525643736
Energy: 1.3275211588794595
Energy: 1.265342046372166
Energy: 1.4285716900864862
Energy: 1.3275211588794595
Energy: 1.265342046372166
Energy: 1.3800083803357674
Energy: 1.3032173793882726
Energy: 1.3864575942064574
Energy: 1.3800083803357674
Energy: 1.3031427137849136
Energy: 1.3864575942064574
Energy: 1.3800083803357674
Energy: 1.3032173793882726
Energy: 1.3864575942064574
Energy: 1.3800083803357674
Energy: 1.3560908432112901
Energy: 1.270692588776604
Energy: 1.4160179189214481
Energy: 1.3560908432112901
Energy: 1.2706904779083235
Energy: 1.4160179189214481
Energy: 1.3560908432112901
Energy: 1.270692588776604
Energy: 1.4160179189214481
Energy: 1.3560908432112901

minimum gb energy = 1.2631745351295642 eV
minimum distance =  2.2011599685228 Angstroms
sigma value = 165


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

Energy: 1.2531455323557865
Energy: 1.3491319441428695
Energy: 1.3485219051678194
Energy: 1.2531455323557865
Energy: 1.3491319441421643
Energy: 1.3485219051685244
Energy: 1.2531455323557865
Energy: 1.3491319441421643
Energy: 1.3485219051678194
Energy: 1.2531455323557865
Energy: 1.2497644662586498
Energy: 1.2516866565394926
Energy: 1.4706526699459397
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Energy: 1.4706526699452347
Energy: 1.2497644662579448
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Energy: 1.4706526699459397
Energy: 1.2497644662586498
Energy: 1.255999502636097
Energy: 1.2820120296650912
Energy: 1.1905512691074505
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Energy: 1.2820120237403343
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Energy: 1.3000750645358239
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Energy: 1.3646643500171358
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Energy: 1.3516114831752533
Energy: 1.3014834915342877
Energy: 1.2271158498492791
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Energy: 1.3014834945023073
Energy: 1.2271158498492791
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Energy: 1.3014835163462475
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Energy: 1.3516114831759585
Energy: 1.2775899071637924
Energy: 1.4400743110853529
Energy: 1.3647869843563223
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Energy: 1.4400743110895837
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Energy: 1.2775899071637924
Energy: 1.440074311084648
Energy: 1.3647705575001174
Energy: 1.2775899071637924
Energy: 1.2285450938111429
Energy: 1.2273553171865834
Energy: 1.2866605592749618
Energy: 1.2285450938125533
Energy: 1.2273553171865834
Energy: 1.2866605592721414
Energy: 1.228545093811848
Energy: 1.2273553171851732
Energy: 1.2866605592721414
Energy: 1.2285450938196045
Energy: 1.2998720221559856
Energy: 1.2674507194521367
Energy: 1.4249738205420903
Energy: 1.2998720221559856
Energy: 1.2674507194521367
Energy: 1.4249738205420903
Energy: 1.2998720221552806
Energy: 1.2674507194521367
Energy: 1.4249738205413853
Energy: 1.299872022158101
Energy: 1.2564721205808658
Energy: 1.1905438341391785
Energy: 1.281945019270894
Energy: 1.256472120349677
Energy: 1.1905438341391785
Energy: 1.281961144794946
Energy: 1.2564721203567284
Energy: 1.1905438341391785
Energy: 1.2819577592520977
Energy: 1.2564721202813107
Energy: 1.2494495157769465
Energy: 1.4685076363107146
Energy: 1.251700770656135
Energy: 1.249449515777652
Energy: 1.468507636415043
Energy: 1.251700770656135
Energy: 1.2494495157769465
Energy: 1.468507636257156
Energy: 1.25170077065543
Energy: 1.2494495157769465
Energy: 1.253145532356492
Energy: 1.3491319441421643
Energy: 1.3485219051685244
Energy: 1.2531455323557865
Energy: 1.3491319441421643
Energy: 1.3485219051678194
Energy: 1.253145532356492
Energy: 1.3491319441421643
Energy: 1.3485219051685244
Energy: 1.2531455323557865

minimum gb energy = 1.1905438341391785 eV
minimum distance =  2.26315715912368 Angstroms
sigma value = 41


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

Energy: 1.3624094643386433
Energy: 1.1796605647270257
Energy: 1.1808271113166635
Energy: 1.2840683869589236
Energy: 1.1796605647242897
Energy: 1.1808271113193993
Energy: 1.3624094643386433
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Energy: 1.1893980878435781
Energy: 1.0807586125958661
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Energy: 1.189398087840842
Energy: 1.2845762723916265
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Energy: 1.1835883143089734
Energy: 1.27036797210977
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Energy: 1.183886134241813
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Energy: 1.2013846042966978
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Energy: 1.0929991882257848
Energy: 1.1371369078202658
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Energy: 1.092999188223049
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Energy: 1.0941892380379732
Energy: 1.092999188223049
Energy: 1.1371369078230016
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Energy: 1.107669535117435
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Energy: 1.1254447623543324
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Energy: 1.3141724963245527
Energy: 1.1252554000960917
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Energy: 1.125444762357068
Energy: 1.107669535117435
Energy: 1.1231072653675398
Energy: 1.2147635044394856
Energy: 1.21880428777879
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Energy: 1.2044742830146178
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Energy: 1.362188473026409
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Energy: 1.240779059795392
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Energy: 1.101686104221725
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Energy: 1.1897926158336716
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Energy: 1.1678603903130973
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Energy: 1.1093698381903394
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Energy: 1.150340163509951
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Energy: 1.1017677977303169
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Energy: 1.1364978363835057
Energy: 1.3677469135512725
Energy: 1.2096648036128086
Energy: 1.2219385741607003
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Energy: 1.083788654433707
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Energy: 1.083788654433707
Energy: 1.1414450714653859
Energy: 1.2321118136724198
Energy: 1.19120087013051
Energy: 1.0506825288797055
Energy: 1.104082711324881
Energy: 1.19120087013051
Energy: 1.0506825288797055
Energy: 1.1040266159721817
Energy: 1.19120087013051
Energy: 1.0506825288797055
Energy: 1.104082711324881
Energy: 1.191200870127774
Energy: 1.2393202235355074
Energy: 1.2886172015837836
Energy: 1.1279496418508426
Energy: 1.2393202235355074
Energy: 1.2886172015837836
Energy: 1.1287316852823184
Energy: 1.2393202235355074
Energy: 1.2886172015810475
Energy: 1.1279496418508426
Energy: 1.2393202235355074
Energy: 1.1402394509271743
Energy: 1.4056569087598714
Energy: 1.1085744406635927
Energy: 1.1402394509271743
Energy: 1.4056569087598714
Energy: 1.1085744406635927
Energy: 1.1402394509271743
Energy: 1.4056569087571356
Energy: 1.1085744406635927
Energy: 1.1402394509271743
Energy: 1.1429029736685454
Energy: 1.0739032061097482
Energy: 1.0760586284030305
Energy: 1.1429029736658094
Energy: 1.0739032061124838
Energy: 1.0760586284030305
Energy: 1.1429029736658094
Energy: 1.0739032061124838
Energy: 1.0760586284030305
Energy: 1.1429029736685454
Energy: 1.1073635703340432
Energy: 1.208455642279835
Energy: 1.2065577280329967
Energy: 1.1073635703340432
Energy: 1.208455642279835
Energy: 1.2065577280329967
Energy: 1.1073635703340432
Energy: 1.208455642279835
Energy: 1.2065577280329967
Energy: 1.1073635703340432
Energy: 1.2206813476663336
Energy: 1.093261844692816
Energy: 1.138184319107129
Energy: 1.2206813476663336
Energy: 1.093261844692816
Energy: 1.138184319107129
Energy: 1.2206813476663336
Energy: 1.093261844692816
Energy: 1.138184319107129
Energy: 1.2206813476663336
Energy: 1.1806170996623102
Energy: 1.1800637404744043
Energy: 1.3240659472752758
Energy: 1.1806170996623102
Energy: 1.1800637404744043
Energy: 1.2850522738482286
Energy: 1.1806170996623102
Energy: 1.1800637404744043
Energy: 1.3240659472780116
Energy: 1.1806170996623102
Energy: 1.0814577916628532
Energy: 1.2030312591826666
Energy: 1.1026797708990552
Energy: 1.0814577916628532
Energy: 1.1993558388509473
Energy: 1.0768605909477162
Energy: 1.0814577916628532
Energy: 1.2030312591799308
Energy: 1.1026797708990552
Energy: 1.0814577916628532
Energy: 1.12628827897767
Energy: 1.1490609625723216
Energy: 1.1515432805458985
Energy: 1.12628827897767
Energy: 1.1490982282076636
Energy: 1.1513789564643666
Energy: 1.1262882789749344
Energy: 1.1490609625750574
Energy: 1.1515432805431627
Energy: 1.1262882789749344
Energy: 1.11149257689261
Energy: 1.1388796158228651
Energy: 1.0935388901349214
Energy: 1.11149257689261
Energy: 1.1388924546887724
Energy: 1.0935388901349214
Energy: 1.1114925768953459
Energy: 1.1388796158228651
Energy: 1.0935388901321856
Energy: 1.11149257689261
Energy: 1.3140558383375354
Energy: 1.1251040390012659
Energy: 1.217852584907702
Energy: 1.3140558383375354
Energy: 1.1251140521504126
Energy: 1.217852584907702
Energy: 1.3140558383375354
Energy: 1.1251040390012659
Energy: 1.217852584907702
Energy: 1.3140558383375354
Energy: 1.2232022320906544
Energy: 1.2037568476518075
Energy: 1.1191311876134995
Energy: 1.2008620987506227
Energy: 1.2173027510593488
Energy: 1.1191311876134995
Energy: 1.1792151850282069
Energy: 1.2176274946038714
Energy: 1.1191311876134995
Energy: 1.179215185025471

minimum gb energy = 1.0385639192925884 eV
minimum distance =  2.2309976295721 Angstroms
sigma value = 185


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

Energy: 0.5701028523625169
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.517671725388868
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.5701028523625169
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.517671725388868
Energy: 0.5552250467306061
Energy: 0.5683197154839325
Energy: 0.6403114997372521
Energy: 0.5225020253129348
Energy: 0.5683197154839325
Energy: 0.6313451627215557
Energy: 0.5552250467306061
Energy: 0.5683197154839325
Energy: 0.6403114997372521
Energy: 0.5225020253129348
Energy: 0.4629349837004542
Energy: 0.6097392968291622
Energy: 0.46474160165024997
Energy: 0.4629208386892028
Energy: 0.6097392968291622
Energy: 0.4647693872315597
Energy: 0.4629349837004542
Energy: 0.6097392968291622
Energy: 0.46474160165024997
Energy: 0.4629208386892028
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.5687003017914327
Energy: 0.5127452558038177
Energy: 0.5812359053888634
Energy: 0.5687003017882147
Energy: 0.5127452558038177
Energy: 0.5812359053888634
Energy: 0.5687003017882147
Energy: 0.5127452558005701
Energy: 0.5812359053888634
Energy: 0.5687003017914327
Energy: 0.4096503461851886
Energy: 0.41062557827369117
Energy: 0.6148876646455128
Energy: 0.4096503461851886
Energy: 0.4106255782769388
Energy: 0.6148876646455128
Energy: 0.4096503461851886
Energy: 0.4106255782769388
Energy: 0.6148876646455128
Energy: 0.4096503461851886
Energy: 0.52358348112672
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5235834811234723
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5235834811234723
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5235834811234723
Energy: 0.40936563528468956
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.40936563528468956
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.40936563528468956
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.40936563528468956
Energy: 0.5225020253129348
Energy: 0.5683197154839325
Energy: 0.6817394059556294
Energy: 0.5225020253129348
Energy: 0.5683197154839325
Energy: 0.6817394059556294
Energy: 0.5225020253129348
Energy: 0.5683197154839325
Energy: 0.6817394059556294
Energy: 0.5225020253129348
Energy: 0.4099339610088315
Energy: 0.6097392968291622
Energy: 0.4112377045114248
Energy: 0.4099339610120496
Energy: 0.6097392968291622
Energy: 0.4112377045114248
Energy: 0.4099339610120496
Energy: 0.6097392968291622
Energy: 0.4112377045114248
Energy: 0.4099339610088315
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.5687003017914327
Energy: 0.5127452558038177
Energy: 0.5812359053888634
Energy: 0.5687003017882147
Energy: 0.5127452558038177
Energy: 0.5812359053888634
Energy: 0.5687003017882147
Energy: 0.5127452558005701
Energy: 0.5812359053888634
Energy: 0.5687003017914327
Energy: 0.4628766804985018
Energy: 0.4645802971956502
Energy: 0.6148876646455128
Energy: 0.4628766804985018
Energy: 0.4645802971956502
Energy: 0.6148876646455128
Energy: 0.4628766804985018
Energy: 0.4645802971956502
Energy: 0.6148876646455128
Energy: 0.4628766804985018
Energy: 0.5558649444644652
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5558649444644652
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5558649444644652
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5558649444644652
Energy: 0.5701028523625169
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.517671725388868
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.5701028523625169
Energy: 0.5808368817657967
Energy: 0.580975718659053
Energy: 0.517671725388868
Energy: 0.5552250467306061
Energy: 0.5683197154839325
Energy: 0.6403114997372521
Energy: 0.5225020253129348
Energy: 0.5683197154839325
Energy: 0.6313451627215557
Energy: 0.5552250467306061
Energy: 0.5683197154839325
Energy: 0.6403114997372521
Energy: 0.5225020253129348
Energy: 0.4629349837004542
Energy: 0.6097392968291622
Energy: 0.46474160165024997
Energy: 0.4629208386892028
Energy: 0.6097392968291622
Energy: 0.4647693872315597
Energy: 0.4629349837004542
Energy: 0.6097392968291622
Energy: 0.46474160165024997
Energy: 0.4629208386892028
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5808823166188206
Energy: 0.5315477129388901
Energy: 0.6220142135821632
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.409350844361317
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6079843208915748
Energy: 0.40935084436456465
Energy: 0.5813650148455125
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.6236855265440682
Energy: 0.4977732812534483
Energy: 0.6828994402267735
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.5001106319559622
Energy: 0.5931409170054728
Energy: 0.5815054696492352
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.4095383451148072
Energy: 0.6087069864370819
Energy: 0.6830015128374252
Energy: 0.5687003017914327
Energy: 0.5127452558038177
Energy: 0.5812359053888634
Energy: 0.5687003017882147
Energy: 0.5127452558038177
Energy: 0.5812359053888634
Energy: 0.5687003017882147
Energy: 0.5127452558005701
Energy: 0.5812359053888634
Energy: 0.5687003017914327
Energy: 0.4096503461851886
Energy: 0.4106255782769388
Energy: 0.6148876646455128
Energy: 0.4096503461851886
Energy: 0.4106255782769388
Energy: 0.6148876646455128
Energy: 0.4096503461851886
Energy: 0.4106255782769388
Energy: 0.6148876646455128
Energy: 0.4096503461851886
Energy: 0.52358348112672
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5235834811234723
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.5235834811234723
Energy: 0.6373385617654974
Energy: 0.6080242077975028
Energy: 0.52358348112672

minimum gb energy = 0.409350844361317 eV
minimum distance =  2.30824990333576 Angstroms
sigma value = 33


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

Energy: 1.072175393537925
Energy: 1.10108933467227
Energy: 1.0999740477244992
Energy: 1.04731654280326
Energy: 1.10108933467227
Energy: 1.099974047726282
Energy: 1.072175393537925
Energy: 1.10108933467227
Energy: 1.099974047726282
Energy: 1.04731654280326
Energy: 1.1072876068015327
Energy: 1.0107577583930965
Energy: 1.1256705685961175
Energy: 1.1072876068015327
Energy: 1.0107577583913137
Energy: 1.1256705685943347
Energy: 1.1072876068015327
Energy: 1.0107577583930965
Energy: 1.1256705685961175
Energy: 1.1072876068015327
Energy: 1.0518541724318007
Energy: 0.9931487392342672
Energy: 1.0291563137206645
Energy: 1.0518541724300179
Energy: 0.9931487392322899
Energy: 1.0291563137206645
Energy: 1.0518541724318007
Energy: 0.9931487392322899
Energy: 1.050634060396448
Energy: 1.0518541724318007
Energy: 1.1920617768706097
Energy: 1.0103497814887827
Energy: 1.1055431999459113
Energy: 1.1920617768688269
Energy: 1.0103497814887827
Energy: 1.1055431999459113
Energy: 1.1920617768706097
Energy: 1.0103497814887827
Energy: 1.1055431999459113
Energy: 1.1920617768723925
Energy: 1.1742930985449873
Energy: 1.0828574056046578
Energy: 1.0247172048741218
Energy: 1.1742930985449873
Energy: 1.082857405602875
Energy: 1.0247172048741218
Energy: 1.17429309854677
Energy: 1.082857405602875
Energy: 1.0247172048741218
Energy: 1.1742930985449873
Energy: 1.1076784671028512
Energy: 1.157269367821611
Energy: 1.1355424874529354
Energy: 1.1076784671028512
Energy: 1.157269367821611
Energy: 1.1355424874529354
Energy: 1.1076784671028512