Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_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=3.523999392986298
cohesive_energy=4.440349230729681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.020445871732540897
Energy: 0.5149579449270734
Energy: 0.5149579449270734
Energy: 0.020445871732540897
Energy: 0.5149579449270734
Energy: 0.5149579449270734
Energy: 0.020445871732540897
Energy: 0.5149579449270734
Energy: 0.5149579449270734
Energy: 0.020445871732540897
Energy: 0.5119811996790201
Energy: 0.024103960072762182
Energy: 0.512024222009029
Energy: 0.5119811996790201
Energy: 0.024103960072762182
Energy: 0.512024222009029
Energy: 0.5119811996790201
Energy: 0.024103960072762182
Energy: 0.512024222009029
Energy: 0.5119811996790201
Energy: 1.2390673235072207
Energy: 0.7041580237489785
Energy: 0.8175029286010115
Energy: 1.2390673235041787
Energy: 0.255520514996721
Energy: 0.3127852551105421
Energy: 0.9271208722019395
Energy: 0.020808222484996027
Energy: 0.3127852551105421
Energy: 0.9271173839327986
Energy: 0.5119811996790201
Energy: 0.512024222009029
Energy: 0.024103960074283313
Energy: 0.5119811996790201
Energy: 0.512024222009029
Energy: 0.024103960072762182
Energy: 0.5119811996790201
Energy: 0.5120242220105501
Energy: 0.024103960072762182
Energy: 0.5119811996790201
Energy: 0.020445871732540897
Energy: 0.5149579449255521
Energy: 0.5149579449270734
Energy: 0.020445871732540897
Energy: 0.5149579449270734
Energy: 0.5149579449270734
Energy: 0.020445871732540897
Energy: 0.5149579449270734
Energy: 0.5149579449270734
Energy: 0.020445871732540897
Energy: 0.5119811996790201
Energy: 0.024103960072762182
Energy: 0.512024222009029
Energy: 0.5119811996790201
Energy: 0.024103960072762182
Energy: 0.512024222009029
Energy: 0.5119811996790201
Energy: 0.024103960072762182
Energy: 0.512024222009029
Energy: 0.5119811996790201
Energy: 0.927125440600337
Energy: 0.31278525510902105
Energy: 0.46750213591869866
Energy: 0.927113014843126
Energy: 0.8742753997336451
Energy: 0.8751234438376574
Energy: 0.9271242396314251
Energy: 0.7041580237489785
Energy: 0.8742753996743211
Energy: 0.927120435760042

minimum gb energy = 0.020445871732540897 eV
minimum distance =  2.29909553046339 Angstroms
sigma value = 3


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

Energy: 1.0815049748252161
Energy: 1.4000816528966857
Energy: 1.399910060603581
Energy: 1.0422469728000354
Energy: 1.4000816528966857
Energy: 1.399910060603581
Energy: 1.0815049748252161
Energy: 1.4000816528966857
Energy: 1.399910060603581
Energy: 1.0422469728000354
Energy: 1.1862539435386592
Energy: 1.026351201873097
Energy: 1.3883062085251516
Energy: 1.1862539435386592
Energy: 1.026351201873097
Energy: 1.3883062085251516
Energy: 1.1862539435386592
Energy: 1.026351201873097
Energy: 1.3883062085251516
Energy: 1.1862539435386592
Energy: 1.0248312869333647
Energy: 1.235526533564162
Energy: 1.3815731535686564
Energy: 1.1098827171782546
Energy: 1.2355265363983547
Energy: 1.3815731535686564
Energy: 1.0248312869333647
Energy: 1.2355265361190408
Energy: 1.3815731535761082
Energy: 1.1098827171782546
Energy: 1.401538797314134
Energy: 1.4421638746734302
Energy: 1.043163023655351
Energy: 1.401538797314134
Energy: 1.4421638746734302
Energy: 1.043163023655351
Energy: 1.401538797314134
Energy: 1.4421638746734302
Energy: 1.043163023655351
Energy: 1.401538797314134
Energy: 0.9878313617695745
Energy: 1.34192789383485
Energy: 1.342186713364233
Energy: 0.9878313617695745
Energy: 1.34192789383485
Energy: 1.342186713364233
Energy: 0.9878313617695745
Energy: 1.34192789383485
Energy: 1.342186713364233
Energy: 0.9878313617695745
Energy: 1.4091972108861035
Energy: 1.050084819628245
Energy: 1.2732885070370865
Energy: 1.4091972108861035
Energy: 1.050084819628245
Energy: 1.2732885070370865
Energy: 1.4091972108861035
Energy: 1.050084819628245
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Energy: 1.4091972108861035
Energy: 1.4690361242929222
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Energy: 1.4107148420980706
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Energy: 1.3550169396342038
Energy: 1.0241539353853064
Energy: 1.3555071539152372
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Energy: 1.024143152195408
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Energy: 1.355016939630478
Energy: 1.0241539353853064
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Energy: 1.1941963045366188
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Energy: 1.398922558444488
Energy: 1.0429126043432615
Energy: 1.420343744482234
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Energy: 1.398922558444488
Energy: 1.0429126043432615
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Energy: 1.398922558444488
Energy: 1.382626841469977
Energy: 1.3862290387978318
Energy: 1.0261111161600696
Energy: 1.382626841469977
Energy: 1.3862290387978318
Energy: 1.0259016534733754
Energy: 1.382626841469977
Energy: 1.3862290387978318
Energy: 1.0261111161637957
Energy: 1.382626841469977
Energy: 1.2086655092133982
Energy: 1.0275247637490326
Energy: 1.4571444646923224
Energy: 1.2086655092133982
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Energy: 1.0832610917748595
Energy: 1.401310239818642
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Energy: 1.0244097425326502
Energy: 1.3417876255593024
Energy: 1.342374403834338
Energy: 1.4412323099411182
Energy: 1.4076416667113625
Energy: 1.042499757818755
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Energy: 1.4076416667113625
Energy: 1.042499757815029
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Energy: 1.4076416667113625
Energy: 1.042499757815029
Energy: 1.441232309944844
Energy: 1.4090761924300286
Energy: 1.2346029830859178
Energy: 1.0498082931682102
Energy: 1.4090762040387963
Energy: 1.2346029825310159
Energy: 1.0498082931719364
Energy: 1.4090762097333311
Energy: 1.234602982583112
Energy: 1.0498082931682102
Energy: 1.4090762128505636
Energy: 0.9877557433901675
Energy: 1.3423448542961107
Energy: 1.3416856942324855
Energy: 0.9877557433901675
Energy: 1.3423448542961107
Energy: 1.3416856942362114
Energy: 0.9877557433901675
Energy: 1.3423448542961107
Energy: 1.3416856942362114
Energy: 0.9877557433901675
Energy: 1.4104371510674507
Energy: 1.0429160677387883
Energy: 1.4317937099683622
Energy: 1.4104371510674507
Energy: 1.0429160677387883
Energy: 1.4317937099683622
Energy: 1.4104371510674507
Energy: 1.0429160677387883
Energy: 1.4317937099646363
Energy: 1.4104371510674507
Energy: 1.061304396212494
Energy: 1.4105448419955677
Energy: 1.194774390021696
Energy: 1.061304396212494
Energy: 1.4105448419955677
Energy: 1.19477439001797
Energy: 1.061304396212494
Energy: 1.4105448419955677
Energy: 1.19477439001797
Energy: 1.061304396212494
Energy: 1.2015083525795205
Energy: 1.4033690201999165
Energy: 1.0262773850191136
Energy: 1.2015083525832464
Energy: 1.4033690202036426
Energy: 1.0262773249641879
Energy: 1.2015083525832464
Energy: 1.4033690202036426
Energy: 1.0262773850228397
Energy: 1.2015083525795205
Energy: 1.0422469728000354
Energy: 1.4000816529004119
Energy: 1.399910060603581
Energy: 1.0422469728000354
Energy: 1.4000816528966857
Energy: 1.3999100605998551
Energy: 1.0422469728000354
Energy: 1.4000816528966857
Energy: 1.399910060603581
Energy: 1.0422469728000354
Energy: 1.1862539435386592
Energy: 1.026351201873097
Energy: 1.3883062085251516
Energy: 1.1862539435386592
Energy: 1.026351201876823
Energy: 1.3883062085251516
Energy: 1.1862539435386592
Energy: 1.026351201876823
Energy: 1.3883062085251516
Energy: 1.1862539435386592
Energy: 1.1104182356678136
Energy: 1.235526531783883
Energy: 1.3815731535761082
Energy: 1.1108577871225334
Energy: 1.2355265351134974
Energy: 1.3815731535574785
Energy: 1.1104182356640877
Energy: 1.2355265292327304
Energy: 1.3815731535686564
Energy: 1.1108577871188072
Energy: 1.4015387973178601
Energy: 1.4421638746734302
Energy: 1.0431630236516252
Energy: 1.4015387973178601
Energy: 1.4421638746771561
Energy: 1.043163023655351
Energy: 1.4015387973178601
Energy: 1.4421638746771561
Energy: 1.043163023655351
Energy: 1.4015387973178601

minimum gb energy = 0.9877557433901675 eV
minimum distance =  2.30286600388654 Angstroms
sigma value = 75


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

Energy: 1.4172623786681922
Energy: 1.082643473404672
Energy: 1.0826570453781454
Energy: 1.365968065551723
Energy: 1.082643473404672
Energy: 1.0826570453781454
Energy: 1.4172623786681922
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Energy: 1.1949093758568692
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Energy: 1.2650132216305692
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minimum gb energy = 1.0822888327795097 eV
minimum distance =  2.19500740430758 Angstroms
sigma value = 105


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

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Energy: 1.2515660166908413
Energy: 1.3768308422475928
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Energy: 1.2515460191703625
Energy: 1.336731460398954
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Energy: 1.3171750676359786
Energy: 1.2737953077403872
Energy: 1.343879054152739
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Energy: 1.2737953077383362
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Energy: 1.274066131135681
Energy: 1.2729525375577484
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Energy: 1.3187899764943374
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Energy: 1.2693671953649117
Energy: 1.3166905370571351
Energy: 1.2113010741641246
Energy: 1.3288759536580825
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Energy: 1.2565784562542504
Energy: 1.3417736710860615
Energy: 1.2111502641165781
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Energy: 1.2111502641186291
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Energy: 1.2504232223053462
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Energy: 1.250423093406399
Energy: 1.4380869452911862
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Energy: 1.345154625879066
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Energy: 1.3204181525142333
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Energy: 1.3119672039092718
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Energy: 1.3080218704862498
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Energy: 1.3079355592452773
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Energy: 1.307935559243226
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Energy: 1.362835578603844
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Energy: 1.3061176853875325
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Energy: 1.3061176853875325
Energy: 1.3628355786058952
Energy: 1.3411735440769497
Energy: 1.3988763748565813
Energy: 1.330803947832077
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Energy: 1.330803947832077
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Energy: 1.355637188737557
Energy: 1.3395349258174214
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Energy: 1.3395349258174214
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Energy: 1.3118585622107013
Energy: 1.269695570693892
Energy: 1.3406030205183554
Energy: 1.3118585622107013
Energy: 1.269695570693892
Energy: 1.3406030205183554
Energy: 1.3118585622107013
Energy: 1.2696955706918411
Energy: 1.3406030205183554
Energy: 1.3118585622107013
Energy: 1.2664103850568214
Energy: 1.3092302754530458
Energy: 1.3300091521305446
Energy: 1.2664103850588728
Energy: 1.3092302754550968
Energy: 1.3300091521284936
Energy: 1.2664103850568214
Energy: 1.3092302754550968
Energy: 1.3300091521284936
Energy: 1.2664103850568214
Energy: 1.3278374657471033
Energy: 1.2732648337018517
Energy: 1.3386583790819457
Energy: 1.3278374657471033
Energy: 1.2731152825244385
Energy: 1.3386583790819457
Energy: 1.3278374657471033
Energy: 1.2732648337018517
Energy: 1.3386583790819457
Energy: 1.3278374657471033
Energy: 1.379957037246476
Energy: 1.3247106244680278
Energy: 1.2914140040091666
Energy: 1.379957037246476
Energy: 1.324712729986819
Energy: 1.2914140040091666
Energy: 1.3799570372444252
Energy: 1.3247106244680278
Energy: 1.2914140040091666
Energy: 1.3799570372444252
Energy: 1.3311436192762363
Energy: 1.3447604358857184
Energy: 1.2534634860694396
Energy: 1.3311436192762363
Energy: 1.3447604358857184
Energy: 1.2534634860694396
Energy: 1.3311436192762363
Energy: 1.3447604358857184
Energy: 1.2534634860694396
Energy: 1.3311436192762363
Energy: 1.25035088415772
Energy: 1.3886509359436912
Energy: 1.2811012177001233
Energy: 1.250350884159771
Energy: 1.3886594341933531
Energy: 1.2811012177001233
Energy: 1.250350884159771
Energy: 1.3886509359436912
Energy: 1.2811012177021746
Energy: 1.250350884161822
Energy: 1.3655754449787019
Energy: 1.320594399621409
Energy: 1.3469330085625348
Energy: 1.3655754449787019
Energy: 1.3205736264377712
Energy: 1.3469330085625348
Energy: 1.3655754449787019
Energy: 1.320594399621409
Energy: 1.3469330085625348
Energy: 1.3655754449787019
Energy: 1.361223467776096
Energy: 1.2514454972273732
Energy: 1.3945912187281542
Energy: 1.361223467776096
Energy: 1.2514511743817576
Energy: 1.3945912187281542
Energy: 1.361223467776096
Energy: 1.2514454972273732
Energy: 1.3945912187281542
Energy: 1.361223467776096

minimum gb energy = 1.210387137822688 eV
minimum distance =  2.27216800471013 Angstroms
sigma value = 165


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

Energy: 1.2483194732233296
Energy: 1.2890935288749465
Energy: 1.2885815324827588
Energy: 1.1884923342220273
Energy: 1.2890935288749465
Energy: 1.2885815324862793
Energy: 1.2483194732233296
Energy: 1.2890935288749465
Energy: 1.28858153248135
Energy: 1.1884923342213232
Energy: 1.2521436302736224
Energy: 1.2043883997165603
Energy: 1.2715698774246709
Energy: 1.2521436302743265
Energy: 1.2043883997165603
Energy: 1.2715698774246709
Energy: 1.2521436302743265
Energy: 1.204388399715152
Energy: 1.2715698774246709
Energy: 1.2521436302743265
Energy: 1.2651589645126897
Energy: 1.3443369067397364
Energy: 1.2040527136787427
Energy: 1.2651589645119856
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Energy: 1.2651589645126897
Energy: 1.2895313373668158
Energy: 1.188902258145586
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Energy: 1.2031063357116132
Energy: 1.2895313373668158
Energy: 1.1889022581462902
Energy: 1.2031063357109089
Energy: 1.2895313373675197
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Energy: 1.316461146500667
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Energy: 1.3384572406973236
Energy: 1.287970269944557
Energy: 1.2044210793570198
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Energy: 1.2884988696574984
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Energy: 1.203559299417433
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Energy: 1.399782950214544
Energy: 1.203559299417433
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Energy: 1.3997829502131358
Energy: 1.287221083908103
Energy: 1.2888821237093397
Energy: 1.3047710146910567
Energy: 1.287221083908103
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Energy: 1.3050379809624906
Energy: 1.2872210839073992
Energy: 1.2888821236994816
Energy: 1.3047710146917608
Energy: 1.2872210839073992
Energy: 1.2621387355134561
Energy: 1.2880795531655937
Energy: 1.3351083325521598
Energy: 1.2046209806075063
Energy: 1.2880795531655937
Energy: 1.3351083325528639
Energy: 1.2621387355134561
Energy: 1.2880795531648894
Energy: 1.3351083325528639
Energy: 1.2046209806068022
Energy: 1.3140029035684102
Energy: 1.2522228716782002
Energy: 1.4357968757166943
Energy: 1.2515680778362515
Energy: 1.252222871696508
Energy: 1.3319800287357841
Energy: 1.3140029035684102
Energy: 1.252222871691579
Energy: 1.43579687571599
Energy: 1.2515680778355474
Energy: 1.2878965680159642
Energy: 1.2034894980144775
Energy: 1.1992692221722294
Energy: 1.2878965680159642
Energy: 1.2034894980151813
Energy: 1.199269222171525
Energy: 1.2878965680166685
Energy: 1.2034894980151813
Energy: 1.1992692221729335
Energy: 1.2878965680166685
Energy: 1.3209180976467467
Energy: 1.2036819753550014
Energy: 1.3571036132053702
Energy: 1.3209180976481554
Energy: 1.2036819753535934
Energy: 1.3571036132293115
Energy: 1.3209180976481554
Energy: 1.2036819753542973
Energy: 1.3571036131371321
Energy: 1.3209180976488595
Energy: 1.3422636316942786
Energy: 1.3637549896938086
Energy: 1.204522041264157
Energy: 1.3422636316949828
Energy: 1.3637549896938086
Energy: 1.204522041262749
Energy: 1.3422636316942786
Energy: 1.3637549896938086
Energy: 1.204522041262749
Energy: 1.3422636316928704
Energy: 1.1884923342213232
Energy: 1.289093528874242
Energy: 1.2885815324834626
Energy: 1.1884923342213232
Energy: 1.2890935288749465
Energy: 1.2885815324841667
Energy: 1.1884923342213232
Energy: 1.2890935288749465
Energy: 1.2885815324841667
Energy: 1.1884923342220273

minimum gb energy = 1.1884923342213232 eV
minimum distance =  2.29008105120559 Angstroms
sigma value = 41


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

Energy: 1.395356805655495
Energy: 1.212370770923157
Energy: 1.212594627560629
Energy: 1.2844426509129556
Energy: 1.212370770923157
Energy: 1.212594627560629
Energy: 1.395356805655495
Energy: 1.212370770923157
Energy: 1.212594627560629
Energy: 1.2844426509129556
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Energy: 1.0756326270447945
Energy: 1.231384314782423
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Energy: 1.0637384720274572
Energy: 1.1765567348118704
Energy: 1.2138898070586503
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Energy: 1.143766120935771
Energy: 1.1624719655655862
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Energy: 1.1332924409141953
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Energy: 1.12278601169415
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Energy: 1.131444515540867
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Energy: 1.1254139964142853
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Energy: 1.1221178737048172
Energy: 1.231092554914415
Energy: 1.1642310619499556
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Energy: 1.231092554914415
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Energy: 1.230119145762707
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Energy: 1.1323936859574837
Energy: 1.0630755935183642
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Energy: 1.318396412924357
Energy: 1.3162492001790993
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Energy: 1.3162492001790993
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Energy: 1.0690491220828242
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Energy: 1.1614064177911125
Energy: 1.165692645815967
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Energy: 1.0690491220855562
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Energy: 1.2955680825647065
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Energy: 1.2726327891592464
Energy: 1.061635431558649
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Energy: 1.3103609075408822
Energy: 1.1305320725125627
Energy: 1.166932977177635
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Energy: 1.1493216703022084
Energy: 1.3122145471250015
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Energy: 1.1493216704087577
Energy: 1.144380325744163
Energy: 1.1436719684119496
Energy: 1.0816047705363006
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Energy: 1.179806398008978
Energy: 1.2507933193632472
Energy: 1.076607542378496
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Energy: 1.2507933193659793
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Energy: 1.2507933193632472
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Energy: 1.179806398008978
Energy: 1.2856703678081551
Energy: 1.232702205399229
Energy: 1.1643597407232644
Energy: 1.2841916286537176
Energy: 1.232702205399229
Energy: 1.1643597407232644
Energy: 1.285670367805423
Energy: 1.232702205399229
Energy: 1.1643597407232644
Energy: 1.2841916286537176
Energy: 1.2627976911412149
Energy: 1.062370915000475
Energy: 1.1765625100404589
Energy: 1.262797691143947
Energy: 1.062370915000475
Energy: 1.1765625100404589
Energy: 1.2627976911412149
Energy: 1.062370915000475
Energy: 1.1765625100404589
Energy: 1.2627976911412149
Energy: 1.1778040464599033
Energy: 1.0736010062927308
Energy: 1.1125555580395503
Energy: 1.1778040464571717
Energy: 1.0736010062927308
Energy: 1.112714114534389
Energy: 1.1778040464599033
Energy: 1.0736010062927308
Energy: 1.1125555580395503
Energy: 1.1778040464544397
Energy: 1.1980297240545639
Energy: 1.2361543184771635
Energy: 1.125767675619461
Energy: 1.1980297240545639
Energy: 1.2361543184908235
Energy: 1.1257470748484417
Energy: 1.1980297240545639
Energy: 1.2361543184935555
Energy: 1.125767675619461
Energy: 1.1980297240545639
Energy: 1.117136650405341
Energy: 1.131356661163872
Energy: 1.1221490082556405
Energy: 1.117136650405341
Energy: 1.131356661163872
Energy: 1.1221490082556405
Energy: 1.117136650405341
Energy: 1.131356661163872
Energy: 1.1221490082556405
Energy: 1.117136650405341
Energy: 1.1348089441756446
Energy: 1.0950081660173765
Energy: 1.094964612985366
Energy: 1.1348089441756446
Energy: 1.0950081660173765
Energy: 1.094964612985366
Energy: 1.1348089441756446
Energy: 1.0950081660173765
Energy: 1.094964612985366
Energy: 1.1348089441756446
Energy: 1.1277608122673375
Energy: 1.1715448401941486
Energy: 1.1786143874388166
Energy: 1.1277608122673375
Energy: 1.1715448401941486
Energy: 1.1786143874388166
Energy: 1.1277608122673375
Energy: 1.1715448401941486
Energy: 1.1786143874360846
Energy: 1.1277608122673375
Energy: 1.2299264418214546
Energy: 1.0702056038089927
Energy: 1.1700236444263659
Energy: 1.2299264418214546
Energy: 1.0702056038089927
Energy: 1.1700236444263659
Energy: 1.2299264418214546
Energy: 1.0702056038089927
Energy: 1.1700236444263659
Energy: 1.2299264418214546
Energy: 1.2220303185183548
Energy: 1.214238812118172
Energy: 1.3211289748262312
Energy: 1.2220303185183548
Energy: 1.214238812118172
Energy: 1.357648104531888
Energy: 1.2220303185183548
Energy: 1.214238812118172
Energy: 1.3211289748262312
Energy: 1.2220303185183548
Energy: 1.0817608842062851
Energy: 1.2325684537584605
Energy: 1.159330058753199
Energy: 1.0817608842062851
Energy: 1.1955781953941187
Energy: 1.1840651735927075
Energy: 1.0817608842062851
Energy: 1.2325684537584605
Energy: 1.1593300587504667
Energy: 1.0817608842062851
Energy: 1.066906294845323
Energy: 1.1464833994196992
Energy: 1.1457861182393176
Energy: 1.066906294845323
Energy: 1.1463355853244406
Energy: 1.1458540908630115
Energy: 1.066906294845323
Energy: 1.1464833994196992
Energy: 1.1457861182393176
Energy: 1.066906294845323
Energy: 1.0844057246192258
Energy: 1.1214282624602927
Energy: 1.0951987292553311
Energy: 1.0844057246192258
Energy: 1.1211046475105466
Energy: 1.0951987292553311
Energy: 1.0844057246192258
Energy: 1.1214282624602927
Energy: 1.095198729252599
Energy: 1.0844057246192258
Energy: 1.2336448435546865
Energy: 1.1286729627869552
Energy: 1.172248383399503
Energy: 1.2336448435519545
Energy: 1.1286555548432022
Energy: 1.172248383399503
Energy: 1.2336448435519545
Energy: 1.1286729627869552
Energy: 1.172248383399503
Energy: 1.2336448435519545
Energy: 1.2323865238872718
Energy: 1.1635904277840243
Energy: 1.1193266943659517
Energy: 1.2323865238872718
Energy: 1.1635904277840243
Energy: 1.1193266943659517
Energy: 1.2323865238872718
Energy: 1.1635904277840243
Energy: 1.1193266943659517
Energy: 1.2323865238872718

minimum gb energy = 1.061635431558649 eV
minimum distance =  2.21555000763844 Angstroms
sigma value = 185


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

Energy: 0.724301783959491
Energy: 0.6432131968494784
Energy: 0.6430728192284757
Energy: 0.47991406118951296
Energy: 0.6432131968498321
Energy: 0.6430728192268835
Energy: 0.7243017839588424
Energy: 0.6432131968491837
Energy: 0.6430728192265298
Energy: 0.47991406118951296
Energy: 0.6889103385560161
Energy: 0.6305716330498131
Energy: 0.7183007617718842
Energy: 0.598092837783354
Energy: 0.6305716330498131
Energy: 0.6707469638246427
Energy: 0.6889103385550137
Energy: 0.6305716330501668
Energy: 0.7183007617728276
Energy: 0.5980928377830591
Energy: 0.6254594127840974
Energy: 0.6438124031376006
Energy: 0.5700679982181063
Energy: 0.5315248570055598
Energy: 0.6438124031376006
Energy: 0.6510389644269491
Energy: 0.6254594127834487
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Energy: 0.5700679982194036
Energy: 0.5315248570055598
Energy: 0.7505410768528653
Energy: 0.6425112705467066
Energy: 0.5647062893341631
Energy: 0.7505410768525707
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Energy: 0.6439326807841277
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Energy: 0.6425112705467066
Energy: 0.5647062893341631
Energy: 0.7505410768532192
Energy: 0.642817041907345
Energy: 0.6321542902892795
Energy: 0.5322501006566983
Energy: 0.6428170419086421
Energy: 0.6321542902896332
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Energy: 0.6428170419076986
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Energy: 0.5322501006566983
Energy: 0.6428170419076986
Energy: 0.7483661836443578
Energy: 0.7200464040015098
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Energy: 0.7483661836446527
Energy: 0.7366215135356053
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Energy: 0.7200464040008612
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Energy: 0.7483661836450064
Energy: 0.6436070540210492
Energy: 0.5653521464765899
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Energy: 0.7434532152591663
Energy: 0.6436070540206954
Energy: 0.7481000005028349
Energy: 0.5324604150727554
Energy: 0.6660492949410386
Energy: 0.7481000005028349
Energy: 0.48037455185248984
Energy: 0.6660492949420411
Energy: 0.7481000005021863
Energy: 0.5324604150718121
Energy: 0.6660492949413925
Energy: 0.7481000005031296
Energy: 0.717069620319817
Energy: 0.6062745174644849
Energy: 0.6427695165453988
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Energy: 0.6427695165443964
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Energy: 0.6062745174651336
Energy: 0.642769516545045
Energy: 0.7170696203207604
Energy: 0.47984964045227557
Energy: 0.4860906879704204
Energy: 0.6305268910547115
Energy: 0.4798496404526294
Energy: 0.4860906879691232
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Energy: 0.47984964045227557
Energy: 0.4860906879717177
Energy: 0.6305268910547115
Energy: 0.479849640451627
Energy: 0.6001603714422734
Energy: 0.7099635228685931
Energy: 0.6316097230066078
Energy: 0.6001603714416248
Energy: 0.7099635228692418
Energy: 0.6316097230072564
Energy: 0.6001603714419786
Energy: 0.7099635228689468
Energy: 0.6316097230069025
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Energy: 0.47991406118951296
Energy: 0.6432131968488298
Energy: 0.6430728192271785
Energy: 0.47991406118951296
Energy: 0.6432131968481812
Energy: 0.6430728192281807
Energy: 0.47991406118951296
Energy: 0.6432131968478864
Energy: 0.6430728192268835
Energy: 0.47991406118915914
Energy: 0.5980928377817619
Energy: 0.6305716330508154
Energy: 0.8001096104932686
Energy: 0.5980928377827054
Energy: 0.6305716330488697
Energy: 0.800109610494271
Energy: 0.5980928377827054
Energy: 0.6305716330501668
Energy: 0.8001096104936224
Energy: 0.5980928377824105
Energy: 0.47988067012137536
Energy: 0.6438124031359496
Energy: 0.520927362073869
Energy: 0.4798806701210216
Energy: 0.6438124031376006
Energy: 0.5209273620742227
Energy: 0.4798806701210216
Energy: 0.6438124031376006
Energy: 0.5209273620725717
Energy: 0.479880670122024
Energy: 0.7505410768525707
Energy: 0.642511270546058
Energy: 0.5647062893335145
Energy: 0.7505410768525707
Energy: 0.642511270546058
Energy: 0.5647062893335145
Energy: 0.7505410768525707
Energy: 0.6425112705464118
Energy: 0.5647062893332198
Energy: 0.7505410768532192
Energy: 0.6428170419076986
Energy: 0.6321542902896332
Energy: 0.48036535681105297
Energy: 0.6428170419086421
Energy: 0.6321542902892795
Energy: 0.5322799412562372
Energy: 0.6428170419086421
Energy: 0.6321542902889846
Energy: 0.48036535681105297
Energy: 0.6428170419076986
Energy: 0.7483661836446527
Energy: 0.7454139833032531
Energy: 0.5656476831328647
Energy: 0.7483661836450064
Energy: 0.7460478784473978
Energy: 0.6025044831697299
Energy: 0.7483661836440041
Energy: 0.7454139833041964
Energy: 0.5656476831335133
Energy: 0.7483661836446527
Energy: 0.6436070540213441
Energy: 0.6073911375333044
Energy: 0.7434532152591663
Energy: 0.6436070540223464
Energy: 0.6076210991877092
Energy: 0.7434532152601686
Energy: 0.6436070540210492
Energy: 0.607391137534248
Energy: 0.7434532152591663
Energy: 0.6436070540216978
Energy: 0.7481000005034836
Energy: 0.5803751201620785
Energy: 0.6660492949403901
Energy: 0.7481000005028349
Energy: 0.532448793922393
Energy: 0.6660492949410386
Energy: 0.7481000005031296
Energy: 0.5803751201610762
Energy: 0.6660492949400951
Energy: 0.7481000005037782
Energy: 0.6046946652447694
Energy: 0.685930002120665
Energy: 0.6427695165456936
Energy: 0.6747839167899566
Energy: 0.643493236322351
Energy: 0.642769516545045
Energy: 0.6046946652415264
Energy: 0.685930002120665
Energy: 0.6427695165463422
Energy: 0.6747839167899566
Energy: 0.6255500434573675
Energy: 0.6394170128493826
Energy: 0.6305268910544167
Energy: 0.5315374242919593
Energy: 0.564215462927857
Energy: 0.6305268910531194
Energy: 0.6255500434577212
Energy: 0.6394170128490878
Energy: 0.6305268910547115
Energy: 0.5315374242903671
Energy: 0.6879381523777536
Energy: 0.7099635228682982
Energy: 0.6316097230069025
Energy: 0.6001603714416248
Energy: 0.7099635228692418
Energy: 0.6316097230075512
Energy: 0.687938152377105
Energy: 0.7099635228692418
Energy: 0.6316097230075512
Energy: 0.6001603714419786
Energy: 0.7243017839601397
Energy: 0.6432131968491837
Energy: 0.6430728192268835
Energy: 0.47991406118951296
Energy: 0.6432131968491837
Energy: 0.6430728192284757
Energy: 0.724301783959491
Energy: 0.6432131968494784
Energy: 0.6430728192271785
Energy: 0.47991406118951296
Energy: 0.6889103385553675
Energy: 0.6305716330501668
Energy: 0.718300761772179
Energy: 0.598092837783354
Energy: 0.6305716330491644
Energy: 0.6707469638255861
Energy: 0.6889103385543651
Energy: 0.6305716330491644
Energy: 0.7183007617728276
Energy: 0.598092837783354
Energy: 0.6254594127828002
Energy: 0.6438124031376006
Energy: 0.5700679982181063
Energy: 0.5315248570058547
Energy: 0.6438124031385442
Energy: 0.6510389644275976
Energy: 0.6254594127817977
Energy: 0.6438124031385442
Energy: 0.5700679982197573
Energy: 0.5315248570055598
Energy: 0.7505410768528653
Energy: 0.6425112705447608
Energy: 0.5647062893335145
Energy: 0.7505410768528653
Energy: 0.6425112705447608
Energy: 0.6439326807844815
Energy: 0.7505410768522167
Energy: 0.6425112705457632
Energy: 0.5647062893338683
Energy: 0.7505410768532192
Energy: 0.6428170419076986
Energy: 0.6321542902892795
Energy: 0.5322501006573469
Energy: 0.642817041908996
Energy: 0.6321542902886308
Energy: 0.5803306193424677
Energy: 0.6428170419092907
Energy: 0.6321542902892795
Energy: 0.532250100657052
Energy: 0.6428170419083474
Energy: 0.7483661836437091
Energy: 0.7200464040008612
Energy: 0.5656476831331595
Energy: 0.7483661836437091
Energy: 0.7366215135369026
Energy: 0.6080015868831681
Energy: 0.7483661836430605
Energy: 0.7200464040005664
Energy: 0.5656476831338082
Energy: 0.7483661836440041
Energy: 0.6436070540219928
Energy: 0.5653521464756467
Energy: 0.7434532152591663
Energy: 0.6436070540226414
Energy: 0.5653521464769439
Energy: 0.7434532152598149
Energy: 0.6436070540226414
Energy: 0.5653521464756467
Energy: 0.7434532152585176
Energy: 0.6436070540213441
Energy: 0.7481000005047808
Energy: 0.5324604150727554
Energy: 0.6660492949403901
Energy: 0.7481000005044268
Energy: 0.4803745518514875
Energy: 0.6660492949413925
Energy: 0.7481000005044268
Energy: 0.5324604150727554
Energy: 0.6660492949403901
Energy: 0.7481000005044268
Energy: 0.717069620319817
Energy: 0.6062745174641313
Energy: 0.6427695165456936
Energy: 0.7170696203191683
Energy: 0.6062745174634827
Energy: 0.6427695165456936
Energy: 0.7170696203191683
Energy: 0.6062745174641313
Energy: 0.6427695165463422
Energy: 0.717069620319817
Energy: 0.4798496404519808
Energy: 0.4860906879691232
Energy: 0.6305268910547115
Energy: 0.4798496404519808
Energy: 0.486090687969418
Energy: 0.6305268910531194
Energy: 0.4798496404513322
Energy: 0.4860906879704204
Energy: 0.6305268910540629
Energy: 0.479849640451627
Energy: 0.6001603714426273
Energy: 0.7099635228682982
Energy: 0.6316097230085536
Energy: 0.6001603714422734
Energy: 0.7099635228689468
Energy: 0.6316097230081998
Energy: 0.6001603714422734
Energy: 0.7099635228689468
Energy: 0.631609723009497
Energy: 0.6001603714426273

minimum gb energy = 0.4798496404513322 eV
minimum distance =  2.33734315877855 Angstroms
sigma value = 33


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

Energy: 1.0910416085591386
Energy: 1.0707534363383773
Energy: 1.0709666012189312
Energy: 1.043747566558763
Energy: 1.0707534363383773
Energy: 1.0709666012189312
Energy: 1.091041608557358
Energy: 1.0707534363383773
Energy: 1.0709666012189312
Energy: 1.043747566558763
Energy: 1.1169054836540764
Energy: 1.0213904545025927
Energy: 1.0949665726048516
Energy: 1.1169054836540764
Energy: 1.0213904545025927
Energy: 1.0949665726048516
Energy: 1.1169054836540764
Energy: 1.0213904545025927
Energy: 1.0949665726048516
Energy: 1.1169054836540764
Energy: 1.0845001391786346
Energy: 0.9961820558398472
Energy: 1.0592469328705463
Energy: 1.0856910747035555
Energy: 0.9961820558398472
Energy: 1.0726591827531193
Energy: 1.0856910747035555
Energy: 0.9961820558398472
Energy: 1.0726591827531193
Energy: 1.0856910747035555
Energy: 1.247144799667391
Energy: 1.0290255847367
Energy: 1.0478867332416653
Energy: 1.247144799667391
Energy: 1.0290255847367
Energy: 1.0478867332416653
Energy: 1.247144799667391
Energy: 1.0290255847384804
Energy: 1.0478867332416653
Energy: 1.247144799667391
Energy: 1.158920478589907
Energy: 1.0856509532028038
Energy: 1.046235072592843
Energy: 1.158920478589907
Energy: 1.0856509532028038
Energy: 1.046235072592843
Energy: 1.158920478589907
Energy: 1.0856509532028038
Energy: 1.046235072592843
Energy: 1.1589204785916873
Energy: 1.0852662085022942
Energy: 1.1469021834581135
Energy: 1.1192492679941868
Energy: 1.0852662085022942
Energy: 1.1469021834581135
Energy: 1.1192492679941868
Energy: 1.0852662085022942
Energy: 1.1469021834581135
Energy: 1.1192492679924064
Energy: 1.0852662085022942
Energy: 1.017504884966002
Energy: 1.1050981120457728
Energy: 1.172497136834683
Energy: 1.017502993759282
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Energy: 1.172497136834683
Energy: 1.017504884966002
Energy: 1.1050981120457728
Energy: 1.172497136834683
Energy: 1.017502993759282
Energy: 1.092233815028278
Energy: 1.0353620871948381
Energy: 1.024525212273253
Energy: 1.092233815028278
Energy: 1.0353620871948381
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Energy: 1.092233815028278
Energy: 1.0353620871948381
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Energy: 1.092233815028278
Energy: 1.0740712073039942
Energy: 0.9943450199499437
Energy: 1.1713953806606823
Energy: 1.0740712073022138
Energy: 0.9943450199499437
Energy: 1.1713953806606823
Energy: 1.0740712073022138
Energy: 0.9943450199499437
Energy: 1.1713953806606823
Energy: 1.0740712073022138
Energy: 1.1106954419736836
Energy: 1.0209419785493898
Energy: 1.1511643401718952
Energy: 1.1106954419736836
Energy: 1.0209419785493898
Energy: 1.1511643401718952
Energy: 1.1106954419754638
Energy: 1.0209419785493898
Energy: 1.1511643401718952
Energy: 1.1106954419736836
Energy: 1.1009265824018708
Energy: 1.1090530679425137
Energy: 1.065743940780081
Energy: 1.1009265824018708
Energy: 1.1090530679442936
Energy: 1.065742338934703
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Energy: 1.1090530679425137
Energy: 1.065743940780081
Energy: 1.1009265824018708
Energy: 1.0221813767027301
Energy: 1.1575260122226374
Energy: 1.1214130455537783
Energy: 1.0221813767027301
Energy: 1.1532439949462177
Energy: 1.1104993533188319
Energy: 1.02218137670095
Energy: 1.1575260122226374
Energy: 1.121413045551998
Energy: 1.0221813767027301
Energy: 1.0404858401881771
Energy: 1.0660681092113504
Energy: 1.0729474949647058
Energy: 1.0404858401881771
Energy: 1.0661492363959166
Energy: 1.0726922948228788
Energy: 1.0404858401881771
Energy: 1.0660681092095703
Energy: 1.0729474949647058
Energy: 1.0404858401881771
Energy: 1.0266887506370732
Energy: 1.0987559250670202
Energy: 1.0543926251516278
Energy: 1.0266887506370732
Energy: 1.082301866179925
Energy: 1.0543926251516278
Energy: 1.0266887506370732
Energy: 1.0987559250688006
Energy: 1.0543926251516278
Energy: 1.0266887506370732
Energy: 1.1098957277816834
Energy: 1.0656929650865037
Energy: 1.0812029634699114
Energy: 1.1098957277816834
Energy: 1.0421799396806717
Energy: 1.0812029634699114
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Energy: 1.0656929650865037
Energy: 1.0812029634699114
Energy: 1.1098957277816834
Energy: 1.0909049535898228
Energy: 1.1069638580155108
Energy: 1.0212710120718536
Energy: 1.0909049535898228
Energy: 1.1069638580155108
Energy: 1.0212710120718536
Energy: 1.0909049535898228
Energy: 1.1069638580155108
Energy: 1.0212710120718536
Energy: 1.0909049535898228
Energy: 1.103627632126369
Energy: 1.174172599600271
Energy: 0.9942236769253261
Energy: 1.103627632126369
Energy: 1.174172599600271
Energy: 0.9942236769253261
Energy: 1.103627632126369
Energy: 1.174172599600271
Energy: 0.9942236769253261
Energy: 1.103627632126369
Energy: 1.0546754683750574
Energy: 1.0977438390356695
Energy: 1.0258584472964116
Energy: 1.0546754683750574
Energy: 1.0977438390356695
Energy: 1.0258584472964116
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Energy: 1.1014187097301762
Energy: 1.1085129103482536
Energy: 1.0553181957968358
Energy: 1.1014187097301762
Energy: 1.1085129103482536
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Energy: 1.11012147130849
Energy: 1.0391799752800812
Energy: 1.0398701061695588
Energy: 1.11012147130849
Energy: 1.0391799752800812

minimum gb energy = 0.9942236769253261 eV
minimum distance =  2.20520006363216 Angstroms
sigma value = 219


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

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Energy: 1.3694933454104077
Energy: 1.3694960046153652
Energy: 1.228277289403774
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Energy: 1.364000599063065
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Energy: 1.2272401323035547
Energy: 1.3640005990618869
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Energy: 1.2272401323023763
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Energy: 1.3430046077244868
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Energy: 1.2522721145278273
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Energy: 1.3682587389642007
Energy: 1.2522721145278273
Energy: 1.3196430620811093
Energy: 1.3682587389642007
Energy: 1.2522721145278273

minimum gb energy = 1.2197422255933066 eV
minimum distance =  2.23042742275029 Angstroms
sigma value = 15


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

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Energy: 1.4228435821713292
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minimum gb energy = 1.3696828628207536 eV
minimum distance =  2.20365223653888 Angstroms
sigma value = 293


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

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Energy: 1.440377052300813
Energy: 1.349496105121739
Energy: 1.4575343659771889
Energy: 1.440377052300813
Energy: 1.349496105121739
Energy: 1.4575343659745277
Energy: 1.398913880304084
Energy: 1.418839829392466
Energy: 1.4189139940091333
Energy: 1.398913880304084
Energy: 1.418839829392466
Energy: 1.4189139940091333
Energy: 1.398913880304084
Energy: 1.418839829392466
Energy: 1.4189139940091333
Energy: 1.398913880304084
Energy: 1.4574957111471736
Energy: 1.349875834644322
Energy: 1.4403704460709421
Energy: 1.4574957111471736
Energy: 1.349875834644322
Energy: 1.4403704460709421
Energy: 1.4574957111471736
Energy: 1.349875834644322
Energy: 1.4403704460709421
Energy: 1.4574957111471736
Energy: 1.3799173097498156
Energy: 1.34937150201209
Energy: 1.38190540146511
Energy: 1.3799173097498156
Energy: 1.34937150201209
Energy: 1.38190540146511
Energy: 1.3799173097498156
Energy: 1.34937150201209
Energy: 1.38190540146511
Energy: 1.3799173097498156
Energy: 1.457772456072481
Energy: 1.349808689640441
Energy: 1.5384527901946778
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Energy: 1.349808689640441
Energy: 1.5384527901946778
Energy: 1.457772456072481
Energy: 1.349808689640441
Energy: 1.5384527901946778
Energy: 1.457772456072481
Energy: 1.4490475527478077
Energy: 1.3497009636482735
Energy: 1.4048715004981076
Energy: 1.4490475527478077
Energy: 1.3497009636482735
Energy: 1.4048715004981076
Energy: 1.4490475527478077
Energy: 1.3497009636482735
Energy: 1.4048715004981076
Energy: 1.4490475527504694
Energy: 1.349552753383582
Energy: 1.5005412608182775
Energy: 1.4612253640060286
Energy: 1.349552753383582
Energy: 1.5005412608182775
Energy: 1.4612253640060286
Energy: 1.3495527533862435
Energy: 1.5005412608182775
Energy: 1.4612253640060286
Energy: 1.349552753383582
Energy: 1.351320674562495
Energy: 1.349666198093348
Energy: 1.4328546096264447
Energy: 1.351320674562495
Energy: 1.349666198093348
Energy: 1.4328546096264447
Energy: 1.351320674562495
Energy: 1.349666198093348
Energy: 1.4328546096264447
Energy: 1.351320674562495
Energy: 1.5281212419782408
Energy: 1.4183461005903244
Energy: 1.4181433274453994
Energy: 1.5281212419782408
Energy: 1.4183461005903244
Energy: 1.4181433274453994
Energy: 1.5281212419782408
Energy: 1.4183461005903244
Energy: 1.4181433274480608
Energy: 1.5281212419782408
Energy: 1.3515440320943424
Energy: 1.4322811562612243
Energy: 1.3497128350672498
Energy: 1.3515440320943424
Energy: 1.4322811562585631
Energy: 1.3497128350672498
Energy: 1.3515440320943424
Energy: 1.4322811562585631
Energy: 1.3497128350672498
Energy: 1.3515440320943424
Energy: 1.3492897924090375
Energy: 1.4612058975295317
Energy: 1.500586749320831
Energy: 1.3492897924090375
Energy: 1.4612058975295317
Energy: 1.500586749320831
Energy: 1.3492897924090375
Energy: 1.4612058975295317
Energy: 1.500586749320831
Energy: 1.3492897924090375
Energy: 1.4494747090193
Energy: 1.4047130427905195
Energy: 1.3497977084471782
Energy: 1.4494747090193
Energy: 1.404713042787858
Energy: 1.3497977084445167
Energy: 1.4494747090166389
Energy: 1.404713042787858
Energy: 1.3497977084445167
Energy: 1.4494747090166389
Energy: 1.4577742044228434
Energy: 1.5384445586345956
Energy: 1.3497910758143974
Energy: 1.4577742044228434
Energy: 1.5384445586345956
Energy: 1.3497910758143974
Energy: 1.4577742044228434
Energy: 1.5384445586345956
Energy: 1.3497910758170588
Energy: 1.4577742044228434

minimum gb energy = 1.3492897924063763 eV
minimum distance =  2.21838594237496 Angstroms
sigma value = 293


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

Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3807121309228017
Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3807121309228017
Energy: 1.3786631963827007
Energy: 1.3807167471022674
Energy: 1.3807121309223205
Energy: 1.3786631963822198
Energy: 1.3770923033946694
Energy: 1.3791852911194065
Energy: 1.3800085144490195
Energy: 1.3770923033956315
Energy: 1.3791852911184443
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Energy: 1.3800085144509437
Energy: 1.3770923033951503
Energy: 1.3785214439557576
Energy: 1.3794498109286255
Energy: 1.4802265830918802
Energy: 1.3785214439562385
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Energy: 1.480226583071677
Energy: 1.3785214439552764
Energy: 1.3794498109291065
Energy: 1.4802265830495502
Energy: 1.3785214439562385
Energy: 1.4802621944983738
Energy: 1.3794264411198112
Energy: 1.3785443825262005
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Energy: 1.3770208279391916
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Energy: 1.3770208279406349
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Energy: 1.3807167471022674
Energy: 1.3807121309232826
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Energy: 1.3807167471022674
Energy: 1.3807121309228017
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Energy: 1.3807167471022674
Energy: 1.3807121309223205
Energy: 1.3786631963827007
Energy: 1.3807167471022674
Energy: 1.3791852911184443
Energy: 1.380008514451425
Energy: 1.3770923033956315
Energy: 1.3791852911179634
Energy: 1.3800085144485386
Energy: 1.3770923033951503
Energy: 1.3791852911179634
Energy: 1.3800085144509437
Energy: 1.3770923033961124
Energy: 1.3791852911179634
Energy: 1.3794498109286255
Energy: 1.4802265831510022
Energy: 1.3785214439552764
Energy: 1.3794498109291065
Energy: 1.4802265831164123
Energy: 1.3785214439557576
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Energy: 1.4802265830986145
Energy: 1.3785214439557576
Energy: 1.3794498109291065
Energy: 1.3794264411198112
Energy: 1.3785443825257195
Energy: 1.4802621944916392
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Energy: 1.3785443825257195
Energy: 1.4802621944897154
Energy: 1.3794264411198112
Energy: 1.3785443825257195
Energy: 1.480262194508956
Energy: 1.3794264411198112
Energy: 1.3791986440605912
Energy: 1.3770208279367868
Energy: 1.379950361663395
Energy: 1.3791986440605912
Energy: 1.3770208279387106
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Energy: 1.3791986440605912
Energy: 1.377020827941116
Energy: 1.379950361665319
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Energy: 1.3807121309223205
Energy: 1.3786631963827007
Energy: 1.3807167471022674
Energy: 1.3807121309223205
Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3807121309228017
Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3807121309218395
Energy: 1.3800085144499818
Energy: 1.3770923033956315
Energy: 1.3791852911179634
Energy: 1.3800085144495007
Energy: 1.3770923033937075
Energy: 1.3791852911179634
Energy: 1.3800085144504628
Energy: 1.3770923033951503
Energy: 1.3791852911184443
Energy: 1.3800085144509437
Energy: 1.4802265831591799
Energy: 1.3785214439557576
Energy: 1.3794498109286255
Energy: 1.480226583140901
Energy: 1.3785214439557576
Energy: 1.3794498109291065
Energy: 1.4802265831365715
Energy: 1.3785214439557576
Energy: 1.3794498109286255
Energy: 1.4802265831106403
Energy: 1.3785443825262005
Energy: 1.4802621944752845
Energy: 1.3794264411193302
Energy: 1.3785443825257195
Energy: 1.480262194483462
Energy: 1.3794264411198112
Energy: 1.3785443825262005
Energy: 1.480262194508475
Energy: 1.3794264411198112
Energy: 1.3785443825262005
Energy: 1.377020827941116
Energy: 1.3799503616609898
Energy: 1.3791986440605912
Energy: 1.377020827940154
Energy: 1.379950361665319
Energy: 1.3791986440610722
Energy: 1.377020827940154
Energy: 1.379950361665319
Energy: 1.3791986440610722
Energy: 1.377020827937749
Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3807121309223205
Energy: 1.3786631963827007
Energy: 1.3807167471022674
Energy: 1.3807121309228017
Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3807121309223205
Energy: 1.3786631963822198
Energy: 1.3770923033965934
Energy: 1.3791852911179634
Energy: 1.3800085144480576
Energy: 1.3770923033956315
Energy: 1.3791852911184443
Energy: 1.3800085144499818
Energy: 1.3770923033951503
Energy: 1.3791852911184443
Energy: 1.3800085144499818
Energy: 1.3770923033956315
Energy: 1.3785214439552764
Energy: 1.3794498109291065
Energy: 1.480226583180826
Energy: 1.3785214439557576
Energy: 1.3794498109281443
Energy: 1.480226583161104
Energy: 1.3785214439562385
Energy: 1.3794498109291065
Energy: 1.4802265831307995
Energy: 1.3785214439552764
Energy: 1.4802621944541192
Energy: 1.3794264411202921
Energy: 1.3785443825262005
Energy: 1.4802621944969305
Energy: 1.3794264411198112
Energy: 1.3785443825262005
Energy: 1.4802621944675882
Energy: 1.3794264411198112
Energy: 1.3785443825262005
Energy: 1.4802621944897154
Energy: 1.379950361664838
Energy: 1.3791986440610722
Energy: 1.3770208279391916
Energy: 1.379950361664357
Energy: 1.3791986440610722
Energy: 1.377020827940154
Energy: 1.379950361665319
Energy: 1.3791986440605912
Energy: 1.377020827942078
Energy: 1.379950361661471
Energy: 1.3807167471022674
Energy: 1.3807121309228017
Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3807121309228017
Energy: 1.3786631963817386
Energy: 1.3807167471022674
Energy: 1.3807121309228017
Energy: 1.3786631963822198
Energy: 1.3807167471022674
Energy: 1.3791852911189253
Energy: 1.3800085144490195
Energy: 1.3770923033956315
Energy: 1.3791852911184443
Energy: 1.3800085144495007
Energy: 1.3770923033951503
Energy: 1.3791852911184443
Energy: 1.3800085144495007
Energy: 1.3770923033956315
Energy: 1.3791852911189253

minimum gb energy = 1.3770208279367868 eV
minimum distance =  2.28268032054403 Angstroms
sigma value = 15


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

Energy: 1.4689070087348823
Energy: 1.4544245178578898
Energy: 1.4546701135000777
Energy: 1.4470219863323612
Energy: 1.454424517844807
Energy: 1.4546701135153013
Energy: 1.4689070087348823
Energy: 1.45442451786007
Energy: 1.4546701135087599
Energy: 1.4470219863323612
Energy: 1.3704501523118107
Energy: 1.3621323046260623
Energy: 1.3470212728130286
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Energy: 1.3621323046260623
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Energy: 1.3621323046260623
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Energy: 1.3704501523139911
Energy: 1.4061810559098107
Energy: 1.445393267235014
Energy: 1.5864348501772312
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Energy: 1.4061810559098107
Energy: 1.445393267235014
Energy: 1.5864348501772312
Energy: 1.4061810559119914
Energy: 1.3372100806866756
Energy: 1.4451159914213931
Energy: 1.334350167110154
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Energy: 1.3438151220061922
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Energy: 1.4496752087964273
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Energy: 1.4496998303139181
Energy: 1.355899991495055
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Energy: 1.35428951236228
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Energy: 1.3542881080993376
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Energy: 1.329470648755306
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Energy: 1.3294922496114714
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Energy: 1.329470648755306
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Energy: 1.4518608182761934
Energy: 1.3318253239220557
Energy: 1.423883287085905
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Energy: 1.4240090578890392
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Energy: 1.3830535418620433
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Energy: 1.3911445953958483
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Energy: 1.3550437543997815
Energy: 1.466160248310527
Energy: 1.4305746399197496
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Energy: 1.5157445536600862
Energy: 1.3124375715342456
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Energy: 1.3124375715342456
Energy: 1.4464166325967127
Energy: 1.5157445536600862
Energy: 1.3124375715342456
Energy: 1.4464166325988934
Energy: 1.5157445536600862
Energy: 1.5377180364437866
Energy: 1.5086562652428512
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Energy: 1.5377180364437866
Energy: 1.375189502762975
Energy: 1.3262225796129343
Energy: 1.3326845033412424
Energy: 1.3736626945391126
Energy: 1.3261582070714883
Energy: 1.3326845033412424
Energy: 1.3751895027607945
Energy: 1.3262225796129343
Energy: 1.3326845033412424
Energy: 1.3736626945369321
Energy: 1.3651861682823943
Energy: 1.3282143103936064
Energy: 1.4919055588554018
Energy: 1.365186168280214
Energy: 1.3282143103936064
Energy: 1.4919055588554018
Energy: 1.365186168284575
Energy: 1.3282143103936064
Energy: 1.4919055588554018
Energy: 1.3651861682823943
Energy: 1.5206106728395956
Energy: 1.4627049695006629
Energy: 1.3604687753770532
Energy: 1.5206106728395956
Energy: 1.4627049695006629
Energy: 1.3604640002218036
Energy: 1.5206106728395956
Energy: 1.4627049695006629
Energy: 1.3604687753770532
Energy: 1.5206106728395956
Energy: 1.3125405847732963
Energy: 1.3628390295040116
Energy: 1.5089177134764944
Energy: 1.3125405847732963
Energy: 1.3628390295018311
Energy: 1.5089177134764944
Energy: 1.3125405847732963
Energy: 1.3628390295018311
Energy: 1.5089177134764944
Energy: 1.3125405847732963
Energy: 1.46761508121611
Energy: 1.5078143186285686
Energy: 1.40734335409109
Energy: 1.445878762729834
Energy: 1.5078143186285686
Energy: 1.40734335409109
Energy: 1.46761508121611
Energy: 1.5078143186285686
Energy: 1.40734335409109
Energy: 1.445878762729834
Energy: 1.4672096080027233
Energy: 1.3356498139841668
Energy: 1.4843529194179326
Energy: 1.4454773928702114
Energy: 1.3356498139841668
Energy: 1.486006004813269
Energy: 1.4672096080027233
Energy: 1.3356498139841668
Energy: 1.4843529194179326
Energy: 1.4454773928702114
Energy: 1.3134794933398959
Energy: 1.628451522136959
Energy: 1.3614048428548808
Energy: 1.3134794933398959
Energy: 1.628451522136959
Energy: 1.361404842863563
Energy: 1.3134794933398959
Energy: 1.6284515221347784
Energy: 1.3614048428613825
Energy: 1.3134794933398959
Energy: 1.3797545419631538
Energy: 1.3624004376216932
Energy: 1.3327022229751604
Energy: 1.3797545419631538
Energy: 1.3624004376216932
Energy: 1.3327022229751604
Energy: 1.3797545419631538
Energy: 1.3624004376216932
Energy: 1.332702222977341
Energy: 1.3797545419631538
Energy: 1.366831468933631
Energy: 1.508946071311674
Energy: 1.3291677873818093
Energy: 1.366831468933631
Energy: 1.508946071311674
Energy: 1.329173875433041
Energy: 1.366831468933631
Energy: 1.508946071311674
Energy: 1.3291677873818093
Energy: 1.366831468933631
Energy: 1.5386502532414725
Energy: 1.426599467135719
Energy: 1.3301432353341813
Energy: 1.5386502532414725
Energy: 1.426599467135719
Energy: 1.3301432353341813
Energy: 1.5386502532414725
Energy: 1.426599467135719
Energy: 1.3301432353341813
Energy: 1.5386502532414725
Energy: 1.5067302081528902
Energy: 1.5148429000607715
Energy: 1.415407758154927
Energy: 1.5067302081528902
Energy: 1.5148429000607715
Energy: 1.415407758154927
Energy: 1.5067302081528902
Energy: 1.5148429000607715
Energy: 1.415407758154927
Energy: 1.5067302081528902
Energy: 1.5377224708513224
Energy: 1.413558166023479
Energy: 1.311802311316375
Energy: 1.537722470853503
Energy: 1.413558166023479
Energy: 1.311802311316375
Energy: 1.537722470853503
Energy: 1.413558166023479
Energy: 1.311802311316375
Energy: 1.537722470853503
Energy: 1.3548358969598406
Energy: 1.4522549774176763
Energy: 1.4809545834189237
Energy: 1.3548358969598406
Energy: 1.4522549774176763
Energy: 1.4809545834189237
Energy: 1.3548358969598406
Energy: 1.4522549774176763
Energy: 1.4809545834189237
Energy: 1.3548358969598406
Energy: 1.506933158419888
Energy: 1.432047451040406
Energy: 1.3863669708645436
Energy: 1.506933158419888
Energy: 1.4319963143262389
Energy: 1.3864651732023254
Energy: 1.5069331584177075
Energy: 1.432047451040406
Energy: 1.3863669708645436
Energy: 1.506933158419888
Energy: 1.3485832076602817
Energy: 1.3108172882615798
Energy: 1.4550042082208714
Energy: 1.348583207662462
Energy: 1.3108172882593996
Energy: 1.455004208218691
Energy: 1.348583207662462
Energy: 1.3108172882593996
Energy: 1.4550042082208714
Energy: 1.3485832076602817
Energy: 1.4469005252062064
Energy: 1.5225870797745014
Energy: 1.4471587699358182
Energy: 1.4469005252062064
Energy: 1.5225870797745014
Energy: 1.4471587699358182
Energy: 1.4469005252062064
Energy: 1.5225870797745014
Energy: 1.4471587699358182
Energy: 1.4469005252062064
Energy: 1.4246998863183962
Energy: 1.3281799641224836
Energy: 1.3792262068362235
Energy: 1.4246998863183962
Energy: 1.3281797594147995
Energy: 1.3792262068362235
Energy: 1.4246998863183962
Energy: 1.3281799641224836
Energy: 1.3792262068340433
Energy: 1.4246998863183962
Energy: 1.3671931759541576
Energy: 1.359883119138201
Energy: 1.5081486456574977
Energy: 1.3671931759541576
Energy: 1.359883119138201
Energy: 1.5081486456574977
Energy: 1.3671931759541576
Energy: 1.3598831191403815
Energy: 1.5081486456574977
Energy: 1.3671931759519773
Energy: 1.357218444039277
Energy: 1.3951260020304168
Energy: 1.3574782709308126
Energy: 1.357218444039277
Energy: 1.3951260020304168
Energy: 1.357476108653941
Energy: 1.357218444039277
Energy: 1.3951260020304168
Energy: 1.3574782709308126
Energy: 1.357218444039277
Energy: 1.3129066451803013
Energy: 1.3861156201898583
Energy: 1.3268643388290864
Energy: 1.3129066451803013
Energy: 1.3861156201898583
Energy: 1.3268643388290864
Energy: 1.3129066451803013
Energy: 1.3861156201898583
Energy: 1.3268643388290864
Energy: 1.3129066451803013
Energy: 1.4032166455221864
Energy: 1.5076334245501128
Energy: 1.5085412524811732
Energy: 1.4028779456847225
Energy: 1.5076334245501128
Energy: 1.5085412524811732
Energy: 1.4032166455221864
Energy: 1.5076334245501128
Energy: 1.5085412524811732
Energy: 1.4028779456847225

minimum gb energy = 1.3105974409185002 eV
minimum distance =  2.19792594789884 Angstroms
sigma value = 437


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

Energy: 1.2923709288214442
Energy: 1.3092773265639395
Energy: 1.3091853815501358
Energy: 1.29237092882065
Energy: 1.309277326564734
Energy: 1.3091853815509302
Energy: 1.2923709288214442
Energy: 1.3092773265639395
Energy: 1.3091853815493413
Energy: 1.29237092882065
Energy: 1.4369613124384504
Energy: 1.2536777850561214
Energy: 1.2776863556491793
Energy: 1.436961312437656
Energy: 1.25367778505771
Energy: 1.2776863556483848
Energy: 1.4369613124432166
Energy: 1.2536777850561214
Energy: 1.2776863556491793
Energy: 1.4369613124368614
Energy: 1.4110715531324949
Energy: 1.241303198089544
Energy: 1.3730643906566005
Energy: 1.411071553134878
Energy: 1.241303198089544
Energy: 1.3732524339402916
Energy: 1.411071553134878
Energy: 1.2413031980903382
Energy: 1.373033520551247
Energy: 1.4110715531356726
Energy: 1.39413583186422
Energy: 1.4209289269177738
Energy: 1.318176025629036
Energy: 1.3941358318634256
Energy: 1.4209289269193623
Energy: 1.3181760256282418
Energy: 1.39413583186422
Energy: 1.4209289269185683
Energy: 1.318176025629036
Energy: 1.39413583186422
Energy: 1.3172473760902192
Energy: 1.2721685914408356
Energy: 1.488780921407417
Energy: 1.3172473760910137
Energy: 1.2721685914408356
Energy: 1.4887809214082115
Energy: 1.3172473760902192
Energy: 1.2721685914408356
Energy: 1.4887809214066225
Energy: 1.3172473760910137
Energy: 1.3169202724911167
Energy: 1.4519308768032413
Energy: 1.2536662098493865
Energy: 1.3169202724919111
Energy: 1.4519308768032413
Energy: 1.2536662098493865
Energy: 1.3169202724919111
Energy: 1.4519308768032413
Energy: 1.2536662098493865
Energy: 1.3169202724919111
Energy: 1.3225505431238265
Energy: 1.2929140074803134
Energy: 1.241343136560213
Energy: 1.322550543123032
Energy: 1.2929140074803134
Energy: 1.2413431365594185
Energy: 1.3225505431222375
Energy: 1.2929140074803134
Energy: 1.2413431365594185
Energy: 1.3890712922707946
Energy: 1.2955077106382369
Energy: 1.4849840441162114
Energy: 1.3856075725277508
Energy: 1.2955077106382369
Energy: 1.4849840441162114
Energy: 1.3856075725269565
Energy: 1.2955077106390314
Energy: 1.484984044117006
Energy: 1.3856075725269565
Energy: 1.2955077106374424
Energy: 1.563927917901399
Energy: 1.272535440551528
Energy: 1.2723343230567592
Energy: 1.5639279179006047
Energy: 1.272535440551528
Energy: 1.2723343230567592
Energy: 1.5639279178982215
Energy: 1.272535440551528
Energy: 1.2723343230567592
Energy: 1.5639279178982215
Energy: 1.3936615464675808
Energy: 1.3130545666715765
Energy: 1.395267997097376
Energy: 1.3936615464699638
Energy: 1.3130545666715765
Energy: 1.3952679970965818
Energy: 1.3936615464675808
Energy: 1.313054566669193
Energy: 1.3952679970957875
Energy: 1.393661546465992
Energy: 1.364462417737366
Energy: 1.3644961986611044
Energy: 1.2941624216493073
Energy: 1.364462417737366
Energy: 1.3644961986611044
Energy: 1.2941624216493073
Energy: 1.364462417737366
Energy: 1.3644961986611044
Energy: 1.2941624216493073
Energy: 1.364462417737366
Energy: 1.3131715029035682
Energy: 1.254162662422328
Energy: 1.278518098046232
Energy: 1.3131715029067457
Energy: 1.2541626624215338
Energy: 1.278518098046232
Energy: 1.3131715029043627
Energy: 1.254162662422328
Energy: 1.2785180980454378
Energy: 1.3131715029035682
Energy: 1.2718116091282612
Energy: 1.3508559527891828
Energy: 1.2718736570531883
Energy: 1.2718116091282612
Energy: 1.3508559527883883
Energy: 1.2718736570531883
Energy: 1.2718116091290557
Energy: 1.3508559527883883
Energy: 1.2718736570531883
Energy: 1.2718116091282612
Energy: 1.2799412927975324
Energy: 1.2575181214452744
Energy: 1.3140463843786165
Energy: 1.2799412927975324
Energy: 1.25751812144448
Energy: 1.314046384377822
Energy: 1.2799412927967382
Energy: 1.25751812144448
Energy: 1.314046384377822
Energy: 1.2799412927967382

minimum gb energy = 1.241303198089544 eV
minimum distance =  2.23620377895786 Angstroms
sigma value = 33