Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589553117748
cohesive_energy=6.81053564033844
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 3.649758372252e-19, 4.3015879140285597e-19, 4.86307071541386e-19, 5.35364117897832e-19, 6.2210115433268995e-19, 7.810835395478759e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.1020652085800699e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-17]
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: 0.017335752047982017
Energy: -360.8138909545954
Energy: 3.2097179419226487
Energy: 0.018287034982500085
Energy: -360.8138909545873
Energy: 0.22630717088265492
Energy: 1.645266094885641
Energy: 0.22630717088265492
Energy: 3.209717943275481
Energy: 1.645266094885641
Energy: 1.919204149566881
Energy: 1.645266094885641
Energy: 0.018287034982500085
Energy: 0.22630717088265492
Energy: 1.645266094885641
Energy: 0.22630717088265492

minimum gb energy = -360.8138909545954 eV
minimum distance =  2.67878705803707 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 2.8078742226908266
Energy: -39.11455101786155
Energy: 1.6094980677828163
Energy: -86.68480568533775
Energy: -39.3092992361303
Energy: 1.7645040904706593
Energy: 1.6116822750508573
Energy: 1.7645040905087668
Energy: 2.8693119054004894
Energy: 1.4886448351530321
Energy: 1.4736820459833042
Energy: 1.4886448351520283
Energy: -42.07541496976468
Energy: 1.7215237352120554
Energy: 1.560251477471647
Energy: 1.7215237352140633
Energy: 2.6028760993930127
Energy: -51.07765261262455
Energy: 1.8233501421883185
Energy: -51.07765257569878
Energy: 2.9436228262669673
Energy: 1.7326834548183334
Energy: 1.8130523219743737
Energy: 1.7326834548193373
Energy: 2.9052957690715826
Energy: 1.6697535731677775
Energy: 1.859005172606036
Energy: 1.669753573166773
Energy: 2.302902727191939
Energy: 1.7394362604478266
Energy: 1.7964152387355163
Energy: 1.7394362604468228
Energy: 2.220492189491693
Energy: 1.9056179310854404
Energy: 2.566283968561909
Energy: 1.9056179310854404
Energy: 2.2806413929835943
Energy: 1.733640428430844
Energy: 2.2905446500476874
Energy: 1.733640428430844
Energy: 2.4004764436379578
Energy: 1.7353219487815126
Energy: 2.2051472211346317
Energy: 1.7353219487925569
Energy: 1.806879203578916
Energy: 1.7280064554709365
Energy: -42.49335263506288
Energy: 1.7280064554689285
Energy: 1.8912634441482847
Energy: 1.7079499010624668
Energy: 2.770097540166325
Energy: 1.7079499010634709
Energy: 1.8282637212587332
Energy: 1.7156534851542946
Energy: -42.130205118847435
Energy: 1.7156534851452585
Energy: 1.776563016936503
Energy: -40.11131058079739
Energy: 2.1845382759888783
Energy: -40.11131058079839
Energy: 1.5078062165528137
Energy: 1.7130167522809574
Energy: -87.96170850041496
Energy: 1.7130167523602295
Energy: 1.4731976669827724
Energy: 1.493245257245809
Energy: 2.8712911856996164
Energy: 1.493245257244805
Energy: 1.625631398449625
Energy: 1.5480612344992135
Energy: -86.51515778013061
Energy: 1.548061234230225
Energy: 1.5492343533676396
Energy: -85.18187577987786
Energy: 1.7818349680396763
Energy: -85.18187576535504
Energy: 1.7206481063606254
Energy: 1.5474309404098716
Energy: 2.9411318173876064
Energy: 1.5474309247469467
Energy: 1.588714099601997
Energy: 1.5633949787162016
Energy: 2.852860625925731
Energy: 1.5633949787172055
Energy: 1.5883261854139945
Energy: 1.7279160817169585
Energy: 2.6010586920197794
Energy: 1.7279160817169585
Energy: 1.5595650130855665
Energy: 1.730799862248161
Energy: 1.8636766375860898
Energy: 1.730799862155836
Energy: 2.0133917321078982
Energy: 1.730675108334255
Energy: 2.6015844773084225
Energy: 1.730675108334255
Energy: -42.65536694668604
Energy: 1.7351556572447617
Energy: 2.6041493782434904
Energy: 1.7351556572447617
Energy: 2.0524146325169035
Energy: 1.7370720965205795
Energy: 2.0235700841852955
Energy: 1.7370720965225879
Energy: 2.0143477323702537
Energy: 1.8217433312976385
Energy: 2.217205359917882
Energy: 1.8217433312986424
Energy: 2.601185284807159
Energy: 1.7316768917448622
Energy: 2.024860661326569
Energy: 1.7316768917448622
Energy: -88.05211310221381
Energy: -42.00425507343137
Energy: 2.0073257222533125
Energy: -42.00425507343037
Energy: 2.459404496117346
Energy: 1.7244145779993285
Energy: 1.5860141238930996
Energy: 1.7244145780003324
Energy: 2.60255251446265
Energy: 1.5727786199249796
Energy: 1.605560426256231
Energy: 1.5727786199259837
Energy: 3.113725360410926
Energy: 1.7036602650920445
Energy: 1.5913721641808949
Energy: 1.7036602650940524
Energy: -87.6237684533884
Energy: -39.19279756730284
Energy: 1.693382537448813
Energy: -39.19279756730184

minimum gb energy = -88.05211310221381 eV
minimum distance =  0.00569169955351135 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: -205.00586456179832
Energy: -97.88922817218567
Energy: 1.6718531772755794
Energy: 1.9351067090220848
Energy: -98.23813273402018
Energy: 1.7984535294837085
Energy: 1.647260296537399
Energy: 1.7984535294802744
Energy: 2.674277932286685
Energy: 1.5285853355434522
Energy: 1.515046719466158
Energy: 1.5285853355434522
Energy: -100.0050251391292
Energy: 1.8003855088227703
Energy: 1.632325032779237
Energy: 1.800385508823915
Energy: 2.65766509333612
Energy: -204.07140512324762
Energy: 1.8691055162283603
Energy: -204.0714051232064
Energy: 2.9876584773934494
Energy: 1.8218179205552651
Energy: 1.909901800440566
Energy: 1.8218179205552651
Energy: 2.674929337986982
Energy: 1.6765817277294481
Energy: -101.84239392280325
Energy: 1.6765817277294481
Energy: 2.306709854063669
Energy: 1.799895129492989
Energy: 1.7553823169047023
Energy: 1.799895129492989
Energy: -205.30850197836682
Energy: 1.8627762642407482
Energy: 2.113280889555982
Energy: 1.862776263676638
Energy: 2.3093674540134015
Energy: 1.7910959269597795
Energy: 2.3288952969714702
Energy: 1.7910959269597795
Energy: 2.1113460432115847
Energy: -100.8620305566624
Energy: 2.1711967964834837
Energy: -100.86203055667613
Energy: 1.773709827543423
Energy: 1.791449270019415
Energy: 2.020521931546947
Energy: 1.791449270019415
Energy: 1.7769689654644791
Energy: 1.5318026576659884
Energy: 2.318954820432235
Energy: 1.531802657866271
Energy: 1.896234079322485
Energy: 1.6725146549970664
Energy: -99.37986145419117
Energy: 1.6725146549970664
Energy: 1.8826086609471482
Energy: -97.96576235299092
Energy: -205.20983463599097
Energy: -97.96576235299092
Energy: 1.6468637277317097
Energy: 1.8045048330914892
Energy: 2.62109700521274
Energy: 1.8045048330926339
Energy: 1.5158352731002738
Energy: 1.5290570183969663
Energy: 2.6758247048899095
Energy: 1.5290570183969663
Energy: 1.6324977516427919
Energy: 1.5236838178221777
Energy: 2.9930195310324934
Energy: 1.523683817821033
Energy: 1.7641233123553268
Energy: -204.26418268589742
Energy: 1.973917915649415
Energy: -204.26266644054388
Energy: 1.86745531801581
Energy: 1.7971487753397626
Energy: -203.83906526061972
Energy: 1.797148775352355
Energy: -101.9748362771837
Energy: 1.677622092108095
Energy: 2.6746800817882437
Energy: 1.677622092108095
Energy: 1.7715900854624342
Energy: 1.8044524495316268
Energy: 2.308388187573653
Energy: 1.8044524495316268
Energy: 1.7558534201804192
Energy: 1.7981705680499878
Energy: -205.41923428364018
Energy: 1.7981705680522773
Energy: 2.32580430120515
Energy: 1.7925891839344192
Energy: 2.3069653346008723
Energy: 1.7925891839344192
Energy: 2.0977716251331144
Energy: -101.02280810249988
Energy: 2.307809186121142
Energy: -101.02280810253652
Energy: 2.0203180919085466
Energy: 1.7912725024850475
Energy: 1.773986471645805
Energy: 1.7912725024850475
Energy: 2.3159248433476436
Energy: 1.721451872210231
Energy: 1.84374443773071
Energy: 1.7214518722079415
Energy: 2.675200373660037
Energy: 1.67247015473352
Energy: 1.7737463160079652
Energy: 1.672470154734665
Energy: -204.97449886635613
Energy: -98.37703134708696
Energy: 1.887418783595107
Energy: -98.37703134708696

minimum gb energy = -205.41923428364018 eV
minimum distance =  0.00569015614243878 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 3.0155847381857526
Energy: -53.86072312906643
Energy: 1.799110086408
Energy: -117.48006993261637
Energy: -54.48999728932486
Energy: 1.652882844671463
Energy: 1.8240950297123042
Energy: 1.6528829081487089
Energy: 2.594179795946812
Energy: 1.6217566911676833
Energy: 1.6058057743842384
Energy: 1.6217566911676833
Energy: -56.605608108558705
Energy: 1.6487897933197762
Energy: 1.6434494214157636
Energy: 1.6487897933197762
Energy: 2.734967698747981
Energy: 1.7948759007944053
Energy: 2.0930848195754845
Energy: 1.794876107131091
Energy: 2.773063426972971
Energy: 1.9214400477567855
Energy: 2.091220775524529
Energy: 1.9214400477567855
Energy: 2.6623815209620694
Energy: 1.8676873909321123
Energy: -57.5087010845489
Energy: 1.8676873909334435
Energy: 2.0625884289621848
Energy: 1.9092121747240174
Energy: 2.0460975781883857
Energy: 1.9092121747240174
Energy: 2.220440591927226
Energy: 1.9372189404785856
Energy: 2.3133470780847625
Energy: 1.9372189404772548
Energy: 2.089949320029989
Energy: 1.8148601014787473
Energy: 2.7543654038766827
Energy: 1.8148601014987085
Energy: 2.1228161775919343
Energy: -55.71332930928048
Energy: -117.70470631527384
Energy: -55.713329309281804
Energy: 1.642123125385901
Energy: 1.652089192633155
Energy: 2.5533785049612088
Energy: 1.652089193737206
Energy: 1.6047710695263913
Energy: 1.6237770956291686
Energy: 2.6434642137099256
Energy: 1.6237770956304993
Energy: 1.7007256578448327
Energy: 1.6538886390562246
Energy: 3.1711818862140517
Energy: 1.6538886390575553
Energy: 1.7047534838737886
Energy: -115.39786163770376
Energy: 2.158202794927012
Energy: -115.39786163770376
Energy: 1.9550295732262741
Energy: 1.7055557056946389
Energy: 2.7105388148992144
Energy: 1.7055557099950989
Energy: 1.7580125988300046
Energy: 1.7173649747559623
Energy: 2.6557519392807594
Energy: 1.7173649747559623
Energy: 1.7562852370232211
Energy: 1.720532286150348
Energy: 2.364533265231183
Energy: 1.720532286150348
Energy: 2.160181059662874
Energy: 2.0031346784254995
Energy: 2.2194147500388146
Energy: 2.00313467842683
Energy: 2.3804964448238852
Energy: 1.9214340711432556
Energy: 2.36391300031122
Energy: 1.9214340711432556
Energy: 2.208706975102878
Energy: 1.9582076349972897
Energy: 2.3678421427167646
Energy: 1.9582076349972897
Energy: 2.2078502589393225
Energy: 1.91811002908282
Energy: 1.8195916261162608
Energy: 1.91811002908282
Energy: 2.3653221305158807
Energy: 1.7404333509376795
Energy: 1.7959396837193549
Energy: 1.7404333509390102
Energy: 2.8185903531690863
Energy: 1.7215897807699434
Energy: 1.7596833507043252
Energy: 1.721589780771274
Energy: 2.6043868504752146
Energy: -54.35607771307062
Energy: 1.871164089450354
Energy: -54.35607771307195

minimum gb energy = -117.70470631527384 eV
minimum distance =  0.00568895503019506 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 2.7015149488840615
Energy: -138.4065941954362
Energy: 1.8021256285344422
Energy: 2.2492641587632036
Energy: -139.0006473305138
Energy: 1.6312423680752672
Energy: 1.8014605624114366
Energy: 1.6312423680752672
Energy: 2.48999448023362
Energy: 1.6320063336380612
Energy: 1.6180700714468388
Energy: 1.6320063336380612
Energy: 2.489629945843399
Energy: 1.631025225023749
Energy: 1.8022315677888407
Energy: 1.631025225023749
Energy: 2.143046386796458
Energy: 1.8206129177897747
Energy: 2.0451744447384175
Energy: 1.8206129177897747
Energy: 2.4932440450209126
Energy: 1.6454557618220027
Energy: 2.233390193452357
Energy: 1.6454557618220027
Energy: 2.492012764870783
Energy: 1.6308898696617375
Energy: 1.593328426560195
Energy: 1.6308898696617375
Energy: 1.9955971173668368
Energy: 1.845732968234892
Energy: -141.0415155361595
Energy: 1.845732968234892
Energy: 2.1506990808150785
Energy: 1.6309432804819481
Energy: 2.489538077097305
Energy: 1.6309432804867108
Energy: 2.1640993836056897
Energy: 1.6307492264468775
Energy: 2.4220198526518972
Energy: 1.6307492264468775
Energy: 2.166345036480247
Energy: -138.50367240179932
Energy: 2.7022677281299385
Energy: -138.50367240179457
Energy: 1.801556252409777
Energy: 1.6317941909520548
Energy: 2.331156655791936
Energy: 1.631794190950467
Energy: 1.619586581354787
Energy: 1.6311667665116834
Energy: 2.492423625799621
Energy: 1.6311667665116834
Energy: 1.8016695608831004
Energy: 1.6311760453824347
Energy: 2.4895577359385337
Energy: 1.631176045384022
Energy: 1.8003317723877417
Energy: 1.8071245439301467
Energy: 2.143262812716384
Energy: 1.8071245439301467
Energy: 2.2178177683370133
Energy: 1.6310953825835801
Energy: 2.489765198904235
Energy: 1.6310953825835801
Energy: 1.593730365699632
Energy: 1.84269645793733
Energy: 2.489449263053988
Energy: 1.84269645793733
Energy: 1.5942703925797888
Energy: 1.6309264430771844
Energy: 2.1671177721738224
Energy: 1.6309264430771844
Energy: 2.060180828070898
Energy: 1.6305707629420692
Energy: 2.1497452226354876
Energy: 1.6305707629404818
Energy: 2.823354867955934
Energy: 1.842571472815566
Energy: 2.1780002183274805
Energy: 1.842571472815566
Energy: 2.3316305601671137
Energy: -139.13450981863917
Energy: 2.2677762955259113
Energy: -139.13450981864077

minimum gb energy = -141.0415155361595 eV
minimum distance =  0.00568975563301685 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 2.4052958661229344
Energy: -82.93057393699726
Energy: 2.0535969516324797
Energy: 1.9989207224382226
Energy: -83.85366754614688
Energy: 1.8211080128420205
Energy: 2.061399796164862
Energy: 1.8211080128400572
Energy: 2.2630583778693056
Energy: 1.7708598481000781
Energy: 1.762974593164842
Energy: 1.7708598481000781
Energy: 2.4178696470608574
Energy: 1.8023759981731244
Energy: 1.7861822484847572
Energy: 1.8023759981731244
Energy: 2.078382018673487
Energy: 1.8751114982967259
Energy: 2.5689515427809444
Energy: 1.8751114982927994
Energy: 2.314132948569458
Energy: 1.9185159669664638
Energy: 2.2641191892658434
Energy: 1.9185159669664638
Energy: 2.315914155048053
Energy: -85.83146694457952
Energy: 2.2486306035775363
Energy: -85.83146694458149
Energy: 1.7902611717688048
Energy: 1.9400819398531866
Energy: 2.250008089717543
Energy: 1.9400780458022562
Energy: 1.7593608893795143
Energy: 1.7726307035319968
Energy: 2.4017195593348664
Energy: 1.7726307035319968
Energy: 1.8897864951609857
Energy: 1.76927263047482
Energy: 2.240442518972934
Energy: 1.7692726304787467
Energy: 2.0309471160387873
Energy: -98.77716822649255
Energy: 2.4385692259574077
Energy: -98.77716822597056
Energy: 2.219422515894961
Energy: 1.8202299610438466
Energy: 2.480900361820968
Energy: 1.8202300528993243
Energy: -86.43642149207272
Energy: 1.7952709133250315
Energy: 2.4165150184905637
Energy: 1.7952709133250315
Energy: -86.2745327549593
Energy: 1.7944623205645631
Energy: 2.1116587856172857
Energy: 1.7944623205645631
Energy: 2.1630107300763806
Energy: 1.7681309313774427
Energy: 2.0838460128932756
Energy: 1.7681309278392452
Energy: 2.426667411051301
Energy: 1.7784112118586355
Energy: 2.111223695819182
Energy: 1.7784112118586355
Energy: -175.05764733368835
Energy: -83.95989733126746
Energy: 2.3006284632535046
Energy: -83.95989733126746

minimum gb energy = -175.05764733368835 eV
minimum distance =  0.00569003983195827 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: -97.86869342088453
Energy: -43.86240656644236
Energy: 2.9832548638749365
Energy: -96.76385223861179
Energy: -44.703258304694636
Energy: 1.8917646359642044
Energy: 2.0952555337720415
Energy: 1.8917646359630926
Energy: 2.398721670376701
Energy: 1.7863049779741693
Energy: 1.778241647027822
Energy: 1.7863049779741693
Energy: 2.214050212261833
Energy: 1.7970086035904185
Energy: 1.7834819499568186
Energy: 1.7970086035904185
Energy: -98.26187150949552
Energy: 1.9397867483105689
Energy: 2.1809544802791967
Energy: 1.9397867483094569
Energy: 2.350230407238396
Energy: 1.7773736760053662
Energy: 2.3591453699002263
Energy: 1.7773736760053662
Energy: 2.3344720681288167
Energy: -45.624224981683284
Energy: 2.5268823926102706
Energy: -45.624224981683284
Energy: 1.9729235140393797
Energy: 1.9281222973905514
Energy: -64.32663417967117
Energy: 1.928122289896367
Energy: 1.7665819081882936
Energy: 1.7833249427108153
Energy: 2.3551352442861764
Energy: 1.7833249427108153
Energy: 1.8234428390840627
Energy: 1.819932253599827
Energy: 2.3848942239498965
Energy: 1.819932253599827
Energy: 1.9173753004827956
Energy: 1.978953720860894
Energy: 2.337722092034328
Energy: 1.978953720860894
Energy: 2.2957880057050075
Energy: 2.1186663359904276
Energy: 2.3650734631428176
Energy: 2.118666335992651
Energy: 2.297816571265458
Energy: 2.0773151238475145
Energy: 2.28924024041994
Energy: 2.077315123846403
Energy: -57.85561476072884
Energy: -47.62556946649478
Energy: 1.826255620327631
Energy: -47.62556946649257
Energy: 2.384319950277195
Energy: 1.8196654345564671
Energy: 1.8219828154413962
Energy: 1.8196654345553551
Energy: 2.516980760887359
Energy: 1.786476671443864
Energy: 1.8407343893361987
Energy: 1.786476671442752
Energy: 2.3631089663188023
Energy: 1.938091579658968
Energy: 1.9217595589566887
Energy: 1.9380915796623037
Energy: 2.4180208063086175
Energy: 2.054585735345974
Energy: 2.4339049822618213
Energy: 2.0545857353382417
Energy: 2.438455901799678
Energy: 1.778751173349605
Energy: 2.2423521545254
Energy: 1.7787511733095767
Energy: 2.072251214271042
Energy: 2.050002181758138
Energy: 2.1471468144508834
Energy: 2.050002181758138
Energy: 1.781640008029555
Energy: 1.7925050169073462
Energy: 2.186140563668183
Energy: 1.7925050169073462
Energy: 1.7791220724997425
Energy: 1.786402623512273
Energy: 2.283979447825567
Energy: 1.786402623512273
Energy: 2.148093587582945
Energy: 1.7841321259317313
Energy: 2.515267811290272
Energy: 1.7841321259295075
Energy: 2.464032782146024
Energy: -95.2109130742413
Energy: 2.341185156014615
Energy: -95.2109130742402
Energy: 2.3208898525357946
Energy: 1.7911227737148678
Energy: 2.7190297860122095
Energy: 1.7911227737148678
Energy: -47.77278944919732
Energy: 1.785851682144117
Energy: 2.1753119131479655
Energy: 1.7858516821452288
Energy: 1.9293472112568568
Energy: 2.009420641337807
Energy: 2.0112157062712037
Energy: 2.0094206413322477
Energy: 2.3280134822126763
Energy: 1.788698649744533
Energy: 1.930727870747556
Energy: 1.788698649744533
Energy: -45.71351519108387
Energy: 1.7859888189419524
Energy: 2.254304579481218
Energy: 1.7859888189419524
Energy: -97.85686387707712
Energy: -43.87804119408316
Energy: 2.4363826248512637
Energy: -43.87804119408316

minimum gb energy = -98.26187150949552 eV
minimum distance =  0.00569178540778641 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.5100478339229737
Energy: -227.15259738745937
Energy: 1.880543751295165
Energy: 1.5156321266257369
Energy: -226.61328046506404
Energy: 1.5370576789973116
Energy: 1.8793968455591001
Energy: 1.5370576789973116
Energy: 2.532580474301548
Energy: 1.558656131209136
Energy: 1.552631287385357
Energy: 1.558656131209136
Energy: 2.5290011364584766
Energy: 1.537104275167855
Energy: 1.880435114390776
Energy: 1.537104275167855
Energy: 2.2315437087459897
Energy: 1.9551768530198896
Energy: 2.2592859601808946
Energy: 1.9551768530224496
Energy: 2.528651649361652
Energy: 1.5356660829740794
Energy: 2.259480956193681
Energy: 1.5356660829740794
Energy: 2.026168046654259
Energy: -227.3131306286432
Energy: 1.5104160980507917
Energy: -227.3131306286355
Energy: 1.8802909918998938
Energy: 1.5373755953709507
Energy: 1.510537676009818
Energy: 1.537375595368391
Energy: 1.8802146845633425
Energy: 1.62069806984791
Energy: 2.0266113282507328
Energy: 1.62069806984791
Energy: 1.8797166593399102
Energy: 1.55921322773922
Energy: 2.5289789831455707
Energy: 1.5592132277417798
Energy: 2.260205453414162
Energy: 1.9561443483694747
Energy: 2.2320850867769484
Energy: 1.9561443483694747
Energy: 2.2629381807048383
Energy: 1.6290816387953242
Energy: 2.52944864070256
Energy: 1.6290816387953242
Energy: 1.5105746459926117
Energy: -228.40814151372328
Energy: 2.5307943548487564
Energy: -228.40814151367465

minimum gb energy = -228.40814151372328 eV
minimum distance =  0.00568791147554173 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 3.0391345268437933
Energy: -36.817315817424465
Energy: 3.1716134456863503
Energy: -81.34815984477233
Energy: -37.15899797874835
Energy: 1.897290817025736
Energy: 2.398331129335414
Energy: 1.8972908170266836
Energy: 2.406093599857219
Energy: 1.879384908140284
Energy: 1.9128797840175065
Energy: 1.8793849081412315
Energy: 1.9062341629111028
Energy: 1.8784330470145345
Energy: 1.9066640984319665
Energy: 1.878433047095065
Energy: 1.9057072282581227
Energy: 1.880852381268616
Energy: 2.182547718916991
Energy: 1.8808523812676685
Energy: 2.3345707143413983
Energy: 1.8586798677074385
Energy: 2.6536411475757906
Energy: 1.8586798677074385
Energy: 2.4055081861486594
Energy: -80.4036392765475
Energy: 2.675541293283753
Energy: -80.4036392766034
Energy: 2.468179100358348
Energy: 2.0622803977226836
Energy: 2.6684358422530416
Energy: 2.0622803977321578
Energy: 2.123975732620989
Energy: 1.9217130433801088
Energy: 2.765880422782804
Energy: 1.921713043683153
Energy: 1.9749303878808762
Energy: 1.974211527141335
Energy: 1.830709158704053
Energy: 1.9742115271422824
Energy: 2.123961714286899
Energy: 1.8668280963575155
Energy: 1.831442719590997
Energy: 1.866828096358463
Energy: 2.7909710029882633
Energy: 1.924006154981814
Energy: 2.0502675416684424
Energy: 1.924006154981814
Energy: -83.08935137883545
Energy: 2.117582920869164
Energy: 2.292688015423776
Energy: 2.1175829208701114
Energy: -82.42212314784628
Energy: -82.20415255700466
Energy: 2.663288839200204
Energy: -82.20415255700466
Energy: 2.7351466188788307
Energy: 1.8957313290039866
Energy: 2.5239977885180576
Energy: 1.8957313290039866
Energy: 2.3618997265563397
Energy: 2.0956485759485437
Energy: -83.63775739553215
Energy: 2.095648575947597
Energy: 1.8777155359177065
Energy: 1.878036360379432
Energy: -39.44577071028301
Energy: 1.878036360380379
Energy: 2.0016309239762395
Energy: 1.9024871928808427
Energy: 2.7687457981391193
Energy: 1.9024871928855798
Energy: 2.0439960489035562
Energy: 1.8856628160339728
Energy: 2.607429633981494
Energy: 1.8856628160339728
Energy: 2.594168185076533
Energy: 1.9823624306326713
Energy: -83.48610230036905
Energy: 1.9780939307178094
Energy: 2.672348061206486
Energy: 1.8796561392039903
Energy: 2.6420821886135597
Energy: 1.8796561392039903
Energy: -82.91286816103178
Energy: 1.9786549363645627
Energy: 2.639831899544912
Energy: 1.9786549361770172
Energy: -82.89071162467258
Energy: 2.0153139916409586
Energy: 1.9779633310623403
Energy: 2.0153139964734725
Energy: 2.704497431454622
Energy: 1.8801722335485533
Energy: 2.0532099539656152
Energy: 1.880172233549501
Energy: 2.468042307184424
Energy: 1.8762695358312775
Energy: 1.867432679425657
Energy: 1.87626953583033
Energy: 2.143055289376163
Energy: 2.0862918233476004
Energy: 1.9130685631208006
Energy: 2.086291823348548
Energy: 2.386148699446618
Energy: 2.076184427772043
Energy: 2.732582944533108
Energy: 2.076184427770148
Energy: 2.55052412506354
Energy: 1.9649593717592917
Energy: -82.68899761016613
Energy: 1.9649593717592917
Energy: 2.1490194228263757
Energy: -37.44269432104454
Energy: -83.2834434015232
Energy: -37.44269432103223
Energy: 2.2600959718534046
Energy: 1.89783309760836
Energy: 2.9029834142860667
Energy: 1.89783309760836
Energy: 1.8309612232027541
Energy: 1.8947860517579134
Energy: 2.3443337270050706
Energy: 1.8947860517579134
Energy: 1.8314422073798124
Energy: 1.921314020185822
Energy: 2.1256517158120802
Energy: 1.9213140201877168
Energy: 2.5234575638249033
Energy: 1.977126129880772
Energy: 2.1243194308538427
Energy: 1.9771261298798246
Energy: 2.7574592325551
Energy: 1.8870244585947447
Energy: 2.5058148294339166
Energy: 1.8870244585956921
Energy: 2.4958732759622233
Energy: -36.60543655146517
Energy: 2.697123905631515
Energy: -36.60543655146801

minimum gb energy = -83.63775739553215 eV
minimum distance =  0.00569188906063853 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.9479784133485896
Energy: -61.76056470807955
Energy: 2.3806426096519204
Energy: 3.0970375775455974
Energy: -62.435283766150825
Energy: 1.9042670355642675
Energy: 2.3458196573665187
Energy: 1.9042670355642675
Energy: 2.4581223533522123
Energy: 2.0020611376125115
Energy: 1.9761135860727628
Energy: 2.0020611376140147
Energy: 1.9761726458853974
Energy: 1.953567343933792
Energy: 1.9765773473922332
Energy: 1.953567343935295
Energy: 1.9757413168072724
Energy: 1.9295404759381953
Energy: 2.304977063566054
Energy: 1.9295404759381953
Energy: 2.257492113492217
Energy: 1.9030577161640407
Energy: 2.310336163044771
Energy: 1.9030577161655442
Energy: 2.4327504982690455
Energy: -131.78876366372015
Energy: -133.61626233568
Energy: -131.78876366372316
Energy: 2.661092130956917
Energy: 1.9139417127812794
Energy: 2.66750000754964
Energy: 1.9139417127827827
Energy: 2.2966402445771066
Energy: 1.9022470933672504
Energy: 2.6374600146077394
Energy: 1.9022470935385076
Energy: 2.0751045442806393
Energy: 1.9826668491274664
Energy: 1.8776862352119983
Energy: 1.9826668491184474
Energy: 2.3313991671417353
Energy: 1.9039293567402207
Energy: 1.8745128397992918
Energy: 1.9039293567402207
Energy: 2.6868225624719386
Energy: 1.9196968386910587
Energy: 2.0430460398456067
Energy: 1.9196968386910587
Energy: 2.2937392837392063
Energy: 2.0181861444499805
Energy: 2.0006588234037226
Energy: 2.0181861444484768
Energy: 2.350693428787637
Energy: 2.0081763767168055
Energy: 2.737421835690236
Energy: 2.008176376718309
Energy: 2.6259742254176928
Energy: 1.9489538777668003
Energy: 2.7042866232132146
Energy: 1.9489538777668003
Energy: 2.5514529620673283
Energy: -63.81527550705014
Energy: -133.96735553365974
Energy: -63.81527550704863
Energy: 1.993147466929255
Energy: 1.9175250089876013
Energy: 2.5071561199641463
Energy: 1.9175250079643975
Energy: 2.156840063276899
Energy: 1.9191849053465622
Energy: 2.4951446060671723
Energy: 1.9191849053450591
Energy: 1.8792903035286082
Energy: 1.8952220846718928
Energy: 2.2965524013325043
Energy: 1.8952220846718928
Energy: 1.8737740886057392
Energy: 2.2689354114428224
Energy: -66.0960209981543
Energy: 2.2689354114428224
Energy: 2.6370774486432986
Energy: 1.8974566275213431
Energy: 2.380112383948045
Energy: 1.8974566274642575
Energy: 2.513623080083224
Energy: -63.03009352085659
Energy: 2.566865699601409
Energy: -63.03009352085508

minimum gb energy = -133.96735553365974 eV
minimum distance =  0.00569039816877945 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: -190.11682449354896
Energy: -90.55693999769991
Energy: 2.323243325005285
Energy: 2.8612804377353744
Energy: -91.02315238862558
Energy: 1.9935469883822001
Energy: 2.3342704418845037
Energy: 1.9935469883811374
Energy: 2.3143342185013425
Energy: 2.042927962127045
Energy: 2.0400152035188612
Energy: 2.042927962127045
Energy: 2.038443820147141
Energy: 2.0151121091294995
Energy: -93.690340357981
Energy: 2.015112109130562
Energy: 2.0356303370977495
Energy: 1.9742208285247445
Energy: 2.222376836471812
Energy: 1.9742208285236817
Energy: 2.1754147897735048
Energy: 1.9573662392681395
Energy: 2.3139323766490416
Energy: 1.9573662392681395
Energy: 2.176369112215588
Energy: -189.2216790878119
Energy: 2.5833337209078064
Energy: -189.2216790892727
Energy: 2.5507894199561623
Energy: 2.0022167266315836
Energy: 2.454559337900001
Energy: 2.002216726311799
Energy: -92.06745484116004
Energy: 1.9563035673974511
Energy: 2.5793705995309226
Energy: 1.9563035673985139
Energy: 2.1705718754224947
Energy: -93.1816245531069
Energy: 1.9569877285351793
Energy: -93.18162455310902
Energy: 2.490050379419736
Energy: 1.9579958629867389
Energy: 1.9382352167963803
Energy: 1.9579958629867389
Energy: 2.580121344498953
Energy: 2.0107737613740264
Energy: 2.080278555106712
Energy: 2.0107737613740264
Energy: 2.4529033729319245
Energy: 1.9713083214228717
Energy: 1.94655095516066
Energy: 1.9713083216449192
Energy: -94.96724308801174
Energy: 2.070519082020815
Energy: 2.3020154638953483
Energy: 2.070519082020815
Energy: 2.6333660507469183
Energy: 1.968409274738755
Energy: 2.4463117182295093
Energy: 1.9684092747355662
Energy: 2.6084394370678923
Energy: -90.60967850262374
Energy: -190.28216005534915
Energy: -90.6096785026227
Energy: 2.320021515212394
Energy: 2.0027669853231567
Energy: 2.71565071141526
Energy: 2.0027669853231567
Energy: 2.03588655117148
Energy: 1.9561900765789995
Energy: 2.3141734150964473
Energy: 1.9561900765800624
Energy: -93.39403046681822
Energy: 1.9779268907648249
Energy: 2.0384883694334293
Energy: 1.977926890763762
Energy: 2.037482378075173
Energy: 1.9792383505972238
Energy: 2.038819773159928
Energy: 1.979238350598287
Energy: 2.3138658705016684
Energy: 1.9565704954450622
Energy: 2.107297502486425
Energy: 1.9565704954439995
Energy: 2.4709270169467756
Energy: 2.1884898447140455
Energy: 2.175841320888778
Energy: 2.1884898566088506
Energy: 2.452216487670195
Energy: 2.175956687854099
Energy: 2.552194313820583
Energy: 2.175956687848785
Energy: 2.5765932565245864
Energy: 1.9579249649060009
Energy: 2.4710165788254845
Energy: 1.9579249649060009
Energy: 2.242613473727158
Energy: -93.18276561436141
Energy: 2.17111726918676
Energy: -93.18276561436035
Energy: 1.9418425530656096
Energy: 1.9608689583802104
Energy: 2.1722372444561824
Energy: 1.960868958384462
Energy: 1.9202645381291532
Energy: 2.011152555337093
Energy: 2.576451916944867
Energy: 2.011152555337093
Energy: 1.9398319272794389
Energy: 1.9663034399031114
Energy: 2.4544147596764727
Energy: 1.9663034399148032
Energy: 2.0657635375588286
Energy: 2.0656671612685926
Energy: -99.7025573235544
Energy: 2.0656671605174677
Energy: 2.5363574204535
Energy: 1.9642260388888018
Energy: 2.4527799192290107
Energy: 1.9642260388834873
Energy: -189.95255745092794
Energy: -91.10176373357622
Energy: 2.608682677219076
Energy: -91.10176373357727

minimum gb energy = -190.28216005534915 eV
minimum distance =  0.0056901937858654 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 2.560121187686298
Energy: -159.05072445310944
Energy: 2.5768619764447904
Energy: 2.012557483376414
Energy: -158.92959501142343
Energy: 1.8585959476433818
Energy: 2.0353830310648835
Energy: 1.8585959476437521
Energy: 1.9962711566625675
Energy: 1.9750237425317778
Energy: -161.1139452470244
Energy: 1.9750237425321482
Energy: 2.040522916731308
Energy: 1.857913918001411
Energy: 1.785688753174519
Energy: 1.8579139180017812
Energy: 2.0406134906235054
Energy: 1.8563259211485388
Energy: 2.0666188809515216
Energy: 1.856325921149279
Energy: 2.033777934958739
Energy: 1.8558615865227994
Energy: 2.524654564760825
Energy: 1.8558615865224293
Energy: 2.200264081608255
Energy: 2.2057483707472283
Energy: 2.0275486388765307
Energy: 2.205748370762078
Energy: 2.0384467888908877
Energy: 1.8584447088673943
Energy: -160.31212025536388
Energy: 1.8584447088673943
Energy: 2.2375778225133134
Energy: 1.858692430355364
Energy: 2.1640865875823256
Energy: 1.858692430355364

minimum gb energy = -161.1139452470244 eV
minimum distance =  2.40850041636917 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 2.7504862940384074
Energy: -9.136673209871113
Energy: 3.2073608040190273
Energy: -86.88985403850212
Energy: -39.421213207829766
Energy: 2.216599073695029
Energy: 2.2934616168204096
Energy: 2.216599073695029
Energy: 2.039146809630941
Energy: 1.9534048130098776
Energy: -41.348345622635634
Energy: 1.9534048130098776
Energy: 1.9555886992230018
Energy: 1.9530917195941373
Energy: 2.313199045764314
Energy: 1.953091715294799
Energy: 1.9934581749613869
Energy: 2.19397105439196
Energy: 2.2407545655180092
Energy: 2.19397105439196
Energy: 1.977752335662987
Energy: 1.9107113903360264
Energy: 2.242699610670817
Energy: 1.9107113898462889
Energy: 1.9707015965677153
Energy: 1.9400090999809914
Energy: 2.2114886635782587
Energy: 1.9400090999809914
Energy: 2.1533227296800277
Energy: 1.9284356207775875
Energy: 2.20796808279144
Energy: 1.9284356207905942
Energy: -86.648024191651
Energy: 2.1115397713236566
Energy: 2.0502315416837065
Energy: 2.111539771325665
Energy: 2.64141422516533
Energy: -86.9596755466068
Energy: 2.6998389916874324
Energy: -86.95967554653753
Energy: -87.55347879211914
Energy: 2.115259012837472
Energy: 2.1554095832618656
Energy: 2.1152590128485165
Energy: 2.2619659476911025
Energy: 2.0540492506941765
Energy: 2.537075265374207
Energy: 2.0540492506951806
Energy: 2.2275302552963523
Energy: -40.63002017854865
Energy: 2.546864624539358
Energy: -40.63002017841014
Energy: 2.256259257797127
Energy: 2.1651419051126926
Energy: 2.1621915770847657
Energy: 2.1651419051126926
Energy: -42.29621030630466
Energy: 1.9366907283193948
Energy: 2.154988908807802
Energy: 1.9366907283193948
Energy: 2.183745610481272
Energy: 1.9098436031636714
Energy: 1.9738491839919359
Energy: 1.9098436031636714
Energy: 2.2405346608336503
Energy: 2.0855452128824985
Energy: 2.042903419607729
Energy: 2.0855452128895267
Energy: 2.2785830106492493
Energy: 1.950507710521061
Energy: 1.9546896651822259
Energy: 1.950507710521061
Energy: -87.36271137264673
Energy: 1.9837539380441587
Energy: 1.955200230244827
Energy: 1.983753937967898
Energy: 2.343366931987884
Energy: 2.046519902374185
Energy: 2.389315655981484
Energy: 2.046519905420086
Energy: 2.3929645997991087
Energy: -86.9944920032124
Energy: 2.680530612880405
Energy: -86.9944920032124
Energy: 2.4618781847071145
Energy: -85.90414316334562
Energy: 2.692692313037923
Energy: -85.90414316334562
Energy: 2.5026378927457538
Energy: 2.034265758203384
Energy: 2.5011347989680206
Energy: 2.034264509554598
Energy: -87.35815505135626
Energy: -42.101894538935234
Energy: 2.1071402127442433
Energy: -42.101894538935234
Energy: 2.486621752345325
Energy: 1.990236541185021
Energy: 1.977857619884407
Energy: 1.9902365414068197
Energy: 2.3040082811251636
Energy: 2.2149969059489583
Energy: 2.05702403494488
Energy: 2.2149969059479537
Energy: 2.051305003091159
Energy: 1.9083168410734415
Energy: 2.0667768157742317
Energy: 1.9083168410724376
Energy: 2.048110844993817
Energy: 1.9081747310840638
Energy: 2.068628237494103
Energy: 1.9081747310850676
Energy: 2.0493285036425752
Energy: 2.2105215956875655
Energy: 2.219330746800348
Energy: 2.2105215956885695
Energy: 2.119103462620912
Energy: 1.9955227080052638
Energy: 2.4271432948010787
Energy: 1.9955227091182286
Energy: 2.1280266802523995
Energy: 2.08859031886915
Energy: 2.4459129721137214
Energy: 2.0885903188801938
Energy: 2.8128678644926226
Energy: 2.2630283692504345
Energy: 2.4377211983577447
Energy: 2.263028369249431
Energy: -87.45864636481217
Energy: -39.06971099505957
Energy: 2.815307628884033
Energy: -39.06971099505459

minimum gb energy = -87.55347879211914 eV
minimum distance =  0.0056883296720717 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 3.1336555039188183
Energy: -120.32685207973584
Energy: 2.4519316446655677
Energy: 2.0159924227583654
Energy: -120.57210608172979
Energy: 2.016632876800771
Energy: 2.0113235278674115
Energy: 2.016632876842418
Energy: 2.037483340802757
Energy: 1.8484981924451418
Energy: -121.85618595175548
Energy: 1.8484981924465305
Energy: 1.9195543512134654
Energy: 1.8491164298528715
Energy: 1.9327326779114695
Energy: 1.8491164298528715
Energy: 1.9257537278866887
Energy: 1.9387264240547935
Energy: 2.142282021670575
Energy: 1.9387264240547935
Energy: 1.9154729264372516
Energy: 1.8724131234899708
Energy: 2.141700325940873
Energy: 1.8724131234941352
Energy: 1.904633914691452
Energy: 1.8574788759946852
Energy: 2.2177948633236553
Energy: 1.8574788759946852
Energy: 2.037890410505647
Energy: 1.8487959473216056
Energy: 2.2165193631649487
Energy: 1.8487959473216056
Energy: -137.5866861414547
Energy: 2.0161878336097874
Energy: 2.20104443488821
Energy: 2.0161878336083987
Energy: 2.4553239884714215
Energy: -122.08401862369882
Energy: 2.609196686921876
Energy: -122.08401862370022
Energy: 2.0372307080006764
Energy: 2.015054426088721
Energy: 2.3253294045667907
Energy: 2.0150544260873327
Energy: 2.037435402703529
Energy: -122.07341226535375
Energy: 2.4860603813187696
Energy: -122.07341226535651
Energy: 2.002430218371901
Energy: -120.87275619712867
Energy: 2.5304577758352322
Energy: -120.87275619712867
Energy: 2.0016762973662257
Energy: 2.026994342224857
Energy: 2.035285657273392
Energy: 2.0269943423941585
Energy: 1.931474169516893
Energy: 1.858448333809625
Energy: 2.036712357261618
Energy: 1.8584483338110132
Energy: 1.9312208454601467
Energy: 1.8468507623019645
Energy: 1.9319947772337998
Energy: 1.846850762300576
Energy: 2.142463756567254
Energy: 1.7996856909508325
Energy: 1.9487072679123305
Energy: 1.7996856909106054
Energy: 2.0844890634357234
Energy: 1.8758261976684973
Energy: 1.9140409970544114
Energy: 1.8758261976684973
Energy: 2.216902609707611
Energy: 1.891043189501258
Energy: 1.9053620267783813
Energy: 1.891043189501258
Energy: 2.226061822295648
Energy: 1.8743238618664027
Energy: 2.03719128995587
Energy: 1.8743238618636262
Energy: 2.215791783580829
Energy: 2.012751321393429
Energy: 2.215324342006665
Energy: 2.012751321393429
Energy: 2.2588533537075572
Energy: 2.0146418470433285
Energy: 2.4278614161405145
Energy: 2.0146418470433285
Energy: 2.227752532495342
Energy: 2.013126414335114
Energy: 2.0373507396662647
Energy: 2.013126414335114
Energy: 2.535374367960009
Energy: -120.5226056059081
Energy: 2.037041309664034
Energy: -120.52260560590672

minimum gb energy = -137.5866861414547 eV
minimum distance =  0.00568988618072423 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 3.169924050949731
Energy: -33.033264978078535
Energy: 3.014670727438502
Energy: -73.0443640023985
Energy: -32.916823279128856
Energy: 2.1439187084667455
Energy: 2.261223269125478
Energy: 2.1439187043448005
Energy: 1.9947246181502842
Energy: 1.9607123910156408
Energy: 2.36936890145861
Energy: 1.9607123910130668
Energy: 1.9191942002667
Energy: 2.0892495443474264
Energy: -74.59314637730378
Energy: 2.089249544348285
Energy: 2.1031452954324075
Energy: 1.9647260007928227
Energy: 2.185152405543171
Energy: 1.9647260060486282
Energy: 2.007256680514927
Energy: 1.869248797090391
Energy: 2.119775745907234
Energy: 1.869248797090391
Energy: 2.0119184239700085
Energy: 1.82820162545798
Energy: 2.068040134804312
Energy: 1.8282016254571218
Energy: 2.1753368546702165
Energy: 1.9246112355169893
Energy: 2.013379969615332
Energy: 1.924611235517847
Energy: 2.1849992049001914
Energy: 1.9778773314493237
Energy: 1.9939460880539273
Energy: 1.9778773314501816
Energy: 2.4002726293615564
Energy: 2.0640507926619636
Energy: 1.9246732509912547
Energy: 2.064050792661106
Energy: 2.370526856786223
Energy: 1.9600103512250593
Energy: 2.006730039587997
Energy: 1.9600103512147626
Energy: 2.359645539812075
Energy: -74.10948714733505
Energy: 2.850091870156446
Energy: -74.10948714734104
Energy: 2.583693988083866
Energy: -72.04270705056004
Energy: -35.02365503567808
Energy: -72.04270705055917
Energy: 2.2605906955580584
Energy: 2.208193744933586
Energy: 1.9975826648804178
Energy: 2.2081937449292957
Energy: 2.379683239196663
Energy: -35.25987073345886
Energy: 1.994300960984111
Energy: -35.259870733461426
Energy: -73.93223236470399
Energy: 2.000816450374783
Energy: 2.0316557097378793
Energy: 2.000816450375641
Energy: 2.207246236289172
Energy: 2.036717044589701
Energy: 2.1000351596279883
Energy: 2.036717044599998
Energy: 1.952861288106401
Energy: 1.8566413491077247
Energy: -35.73458389367546
Energy: 1.8566413491077247
Energy: 1.9445697869149543
Energy: 1.8789051574740425
Energy: 2.113947153968351
Energy: 1.8789051574740425
Energy: 2.1001745809689942
Energy: 1.974506506705608
Energy: 2.152361129763984
Energy: 1.9745065067030338
Energy: 1.9305538175849173
Energy: 1.8764081187065957
Energy: 2.224921877666064
Energy: 1.8764081187083117
Energy: 2.023809123190562
Energy: 1.9429531478825661
Energy: 2.290518335795863
Energy: 1.9429531478859203
Energy: 2.3736477236323763
Energy: 2.212889694122756
Energy: 2.2653435483621833
Energy: 2.212889694019011
Energy: 2.5773258957077254
Energy: -73.71526531718581
Energy: 2.518788759305842
Energy: -73.71526531718753
Energy: -36.73273855899873
Energy: 1.933649537059602
Energy: 2.2255001570900994
Energy: 1.9336494525596108
Energy: 2.3206952701702277
Energy: 2.0518294477460373
Energy: -33.447710292099565
Energy: 2.051829448466479
Energy: 2.6561108973313843
Energy: -33.000482733138085
Energy: -74.17518297935212
Energy: -33.000482733136366
Energy: 2.1036209136911834
Energy: 2.044186481232542
Energy: -74.00370234763686
Energy: 2.044186481217955
Energy: 2.2489676899762183
Energy: 1.8823588415965251
Energy: 2.1148269256347545
Energy: 1.8823588415956671
Energy: 2.1968359832332416
Energy: 1.8877841184876312
Energy: 1.913154560303043
Energy: 1.887784118490205
Energy: 2.1649021050315085
Energy: 1.887034569464322
Energy: 1.9456117331160625
Energy: 1.8870345694763344
Energy: 2.1587515211543384
Energy: 1.9668057710784446
Energy: 1.9556215122864935
Energy: 1.9668057710784446
Energy: 2.1246383956014383
Energy: 1.9933175958310019
Energy: 1.9416377967294698
Energy: 1.9933175958327183
Energy: 2.1235620934077213
Energy: 1.8445611269410396
Energy: 2.177685567297806
Energy: 1.8445611269393234
Energy: 2.105518317736439
Energy: 2.091147794530507
Energy: -35.78905325415065
Energy: 2.0911477945236427
Energy: 2.151478996403715
Energy: -35.111088492804534
Energy: -74.34572971397155
Energy: -35.11108849280539
Energy: 1.9945713344198812
Energy: 2.0708223490170923
Energy: 2.485265700987516
Energy: 2.070822349025673
Energy: -74.17910835152814
Energy: -34.79615240001267
Energy: 2.3639819433125906
Energy: -34.79615240001353

minimum gb energy = -74.59314637730378 eV
minimum distance =  0.00568810561657634 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: -200.27410122841053
Energy: -95.79354579992449
Energy: 2.319483438237031
Energy: 1.9599277724319575
Energy: -95.97463432185846
Energy: 2.1115397085810286
Energy: 2.198995641900613
Energy: 2.1115397085765393
Energy: 2.0058105297080644
Energy: 1.7827327184082367
Energy: 2.0324399037074214
Energy: 1.7827327184082367
Energy: 1.8345136070685295
Energy: -98.9508808214373
Energy: 2.071201118457927
Energy: -98.9508808214373
Energy: 1.8411876432607843
Energy: 2.0081582298937097
Energy: 2.0585621108211214
Energy: 2.008158229891465
Energy: 1.9344960909857485
Energy: 1.7114237255777467
Energy: 2.0786675155223215
Energy: 1.7114237255777467
Energy: 1.932719025067224
Energy: 1.719489949218608
Energy: 1.932584886315288
Energy: 1.719489949218608
Energy: 2.070677793753278
Energy: 1.9076306283829383
Energy: 1.9417503912492655
Energy: 1.9076306283829383
Energy: 2.0589289758662814
Energy: 1.7886326703315039
Energy: 1.8283973861233456
Energy: 1.7886326703315039
Energy: -108.56148755606453
Energy: 1.8188804945960197
Energy: 1.8421764718736706
Energy: 1.8188804945915293
Energy: 2.111418876913581
Energy: 1.784864930050972
Energy: 2.011622252299302
Energy: 1.784864930050972
Energy: 1.973780650821332
Energy: 1.8314201985206986
Energy: 2.5404365457574287
Energy: 1.8314201985835095
Energy: 2.012866904711667
Energy: -97.93528341057906
Energy: 2.5589448549186367
Energy: -97.93528341057906
Energy: 2.0041657493013028
Energy: 1.9089725654745298
Energy: 2.0043778343951884
Energy: 1.9089725651895073
Energy: 2.457841495426337
Energy: -96.29776838048588
Energy: 2.0111203397652098
Energy: -96.29776838048812

minimum gb energy = -200.27410122841053 eV
minimum distance =  0.00568835647019247 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 2.1605506341838354
Energy: -78.92639665002221
Energy: 2.2961418203790536
Energy: 1.9206991516217689
Energy: -78.84958711008274
Energy: 1.7614528755370922
Energy: 2.1310184568805113
Energy: 1.7614528755361512
Energy: 1.8172366285757786
Energy: 1.8683517808009333
Energy: 2.083823966755384
Energy: 1.8683517807971695
Energy: 1.7802531366861507
Energy: -81.7259872745192
Energy: 2.118535343989001
Energy: -81.7259872745192
Energy: 1.9396546837114275
Energy: 1.8922514885363992
Energy: 2.0243612132545934
Energy: 1.8922514885345172
Energy: -82.15473949990144
Energy: 1.633488386753867
Energy: 1.8891729254674163
Energy: 1.6334883867566898
Energy: -82.02188570933748
Energy: 1.6327196477159718
Energy: 1.808698390538586
Energy: 1.6327196477159718
Energy: 1.9756265995161775
Energy: 1.8144224850530297
Energy: 1.826164957440182
Energy: 1.8144224850558528
Energy: 1.9655896732221083
Energy: 1.7420435374810308
Energy: 1.818585222441657
Energy: 1.7420435374810308
Energy: 1.9911208019156115
Energy: 1.642410018121883
Energy: 1.8185074664468304
Energy: 1.642410018121883
Energy: 1.9576688246488005
Energy: 1.8374595744832694
Energy: 2.020483861000092
Energy: 1.8374595744795053
Energy: 1.794912816868125
Energy: 1.7517969080284477
Energy: -167.3528424667416
Energy: 1.7517969056488039
Energy: 1.8489350211491262
Energy: 1.775521728350659
Energy: -93.70414946985399
Energy: 1.7755217283516
Energy: 1.9785461711655121
Energy: 1.809422574583166
Energy: 2.087157251342776
Energy: 1.8094225757570128
Energy: 2.5024550346209553
Energy: -81.14432830376296
Energy: 1.790063974694085
Energy: -81.14432830376484
Energy: 2.5153537643670236
Energy: 1.8774469410994632
Energy: 1.871028566076805
Energy: 1.8774469411107548
Energy: 1.958695639150255
Energy: 1.7949014666151442
Energy: -81.04270868392577
Energy: 1.794901466610439
Energy: 1.8359556503534462
Energy: -79.02837232597773
Energy: 2.1313603819001807
Energy: -79.02837232597584
Energy: 2.1323467794434228
Energy: -82.16468478762282
Energy: 2.2675760904644227
Energy: -82.16468478762188
Energy: -80.95182443755509
Energy: 1.7415211618603696
Energy: 1.960740469660164
Energy: 1.7415211618359039
Energy: 2.147078672612004
Energy: -81.59081640447073
Energy: 1.8106336321897898
Energy: -81.59081640446979
Energy: -81.74374736792056
Energy: 1.7518328971810326
Energy: 1.7928587232603483
Energy: 1.7518328900731113
Energy: 2.014901755663975
Energy: 1.633336098527765
Energy: 1.959361328746175
Energy: 1.633336098528706
Energy: 1.8153577508321685
Energy: 1.6327276125429975
Energy: 1.8529338543576446
Energy: 1.6327276125420565
Energy: 1.82158353430701
Energy: 1.631711966300675
Energy: 1.9702410124061607
Energy: 1.631711966300675
Energy: 1.8251782333159954
Energy: 1.7363198159019768
Energy: 1.9650770079289117
Energy: 1.736319815901036
Energy: 1.810300937675143
Energy: 1.6339656289968587
Energy: 2.011280362994611
Energy: 1.6339656289968587
Energy: 2.015653371825157
Energy: 1.7340425930956316
Energy: 1.9553415895505308
Energy: 1.7340425930956316
Energy: 2.024912462793571
Energy: 1.7507032166094085
Energy: 1.782745998765427
Energy: 1.7507032166526515
Energy: 1.9543222775235876
Energy: 1.7684463190901516
Energy: 1.8101425958819004
Energy: 1.768446319085447
Energy: 2.08519710467297
Energy: 1.7621741038388665
Energy: 1.9918093617650403
Energy: 1.7621741038379255
Energy: 1.8130818881188175
Energy: 1.8704454888142523
Energy: 2.514855995417201
Energy: 1.8704454888151936
Energy: 1.822904001228666
Energy: -82.17649710662195
Energy: 2.519578979516579
Energy: -82.17649710662855
Energy: 2.2392727333925926
Energy: 1.9582451871544524
Energy: 1.9516250867164504
Energy: 1.9582451871648032
Energy: -97.34719254632608
Energy: -79.3093389664267
Energy: 1.9854775821951571
Energy: -79.30933896641541

minimum gb energy = -167.3528424667416 eV
minimum distance =  0.00569086385415395 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 2.153536742425719
Energy: -66.51276365751113
Energy: 2.1522811255042393
Energy: 1.74836396403075
Energy: -66.58487921251061
Energy: 1.763926090118656
Energy: 1.8484436343535033
Energy: 1.7639260901202747
Energy: 1.7063063989333884
Energy: 1.670406921360641
Energy: 2.0491908629851245
Energy: 1.6704069213671169
Energy: 1.7014913581286213
Energy: -69.18105022131046
Energy: 2.05646978529315
Energy: -69.18105022131208
Energy: 1.9439673175564138
Energy: 1.7660097759410824
Energy: 1.9338957705862319
Energy: 1.7660097759410824
Energy: -69.54872788792191
Energy: 1.65044829590052
Energy: 1.7120769980181911
Energy: 1.65044829590052
Energy: 1.8453749659910357
Energy: 1.5541799688637667
Energy: 1.706428581566245
Energy: 1.5541799688621476
Energy: 1.8895862613605723
Energy: 1.7582225504806321
Energy: 1.9146852069928033
Energy: 1.7582225504757751
Energy: 1.7849801470397606
Energy: 1.4976101744041184
Energy: 1.7855795146658904
Energy: 1.497610174405737
Energy: 1.7940943662936737
Energy: 1.497965038354311
Energy: 1.7794745656039481
Energy: 1.497965038354311
Energy: 1.8761796299210944
Energy: 1.6976245481891958
Energy: 1.8745971620687956
Energy: 1.6976245481908148
Energy: 1.7060332666764648
Energy: 1.5582057538999874
Energy: 1.9501884843775195
Energy: 1.5582057538999874
Energy: 1.7331512090525822
Energy: 1.6515125751969029
Energy: 1.9389961268064937
Energy: 1.6515125751969029
Energy: 1.8314364443536888
Energy: 1.7654861020926063
Energy: 1.9307152541558277
Energy: 1.7654861020926063
Energy: 1.9789345665529519
Energy: 1.6843596360061197
Energy: 1.7023825879601708
Energy: 1.6843596360061197
Energy: -142.1959091864447
Energy: 1.6775574898203214
Energy: 1.7027759119981356
Energy: 1.6775574898122267
Energy: 1.9531237106313624
Energy: 1.757823621234578
Energy: 1.879564447712287
Energy: 1.757823621237816
Energy: 2.152380744022002
Energy: -86.89353285485592
Energy: 2.391785246394648
Energy: -142.08303078882545
Energy: 1.7041457242642817
Energy: 1.686998940459179
Energy: 2.2327577443651987
Energy: 1.6869989404607977
Energy: -65.96689114902813
Energy: 1.6744490531429972
Energy: 1.8719390410014438
Energy: 1.6744490533582432

minimum gb energy = -142.1959091864447 eV
minimum distance =  2.44530793436929 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.4914850693369677
Energy: -50.12006113497502
Energy: 2.1322957984806448
Energy: -111.31655700854107
Energy: -50.106125991461994
Energy: 1.4836927371813675
Energy: 1.607761723103128
Energy: 1.4836927331807406
Energy: 1.6022205470804707
Energy: 1.5951758017524333
Energy: 1.8816198204574375
Energy: 1.595175801748641
Energy: 1.5973448386136768
Energy: -52.196143711250585
Energy: 1.8723555194127488
Energy: -52.196143711249384
Energy: 1.777916457044517
Energy: 1.9393101904648542
Energy: -54.33219989902628
Energy: 1.939310190467325
Energy: 1.8260759291870277
Energy: 1.539513300715711
Energy: 1.5839013608987427
Energy: 1.5395133007030688
Energy: 1.8639211292131452
Energy: 1.4611623181266138
Energy: 1.5797384670580272
Energy: 1.4611623181266138
Energy: 1.7395443945264168
Energy: 1.5347316160574758
Energy: 1.7379569161094128
Energy: 1.5347316160574758
Energy: 1.5961958103153284
Energy: 1.4487572675546243
Energy: -53.784873310907926
Energy: 1.4487572675533602
Energy: 1.5975020288396709
Energy: 1.369650084648726
Energy: -54.3156064402844
Energy: 1.3696500846499902
Energy: 1.6615902192013388
Energy: 1.5616392421636947
Energy: 1.7445226384067902
Energy: 1.5616392422356957
Energy: 1.6639134846284465
Energy: 1.3407538588944155
Energy: 1.664118544481047
Energy: 1.3407538588931514
Energy: 1.6715022958966386
Energy: 1.342251848151624
Energy: 1.6654347031782504
Energy: 1.342251848152888
Energy: 1.7439886056598655
Energy: 1.3707018011892957
Energy: 1.6519154737315573
Energy: 1.3707018011892957
Energy: 1.8024153133380951
Energy: 1.450710777689443
Energy: 1.5968250187557067
Energy: 1.450710777690707
Energy: 1.781759272951403
Energy: 1.4474310745850365
Energy: 1.6810754327991435
Energy: 1.447431074586301
Energy: 1.697280773767284
Energy: 1.6077369896173876
Energy: 1.9541195290706452
Energy: 1.6077369896161235
Energy: 1.5812243974403033
Energy: 1.4666265996066468
Energy: 1.7822179358995476
Energy: 1.4666265996066468
Energy: 1.6835717483820318
Energy: 1.539991646862518
Energy: 1.9009414487640262
Energy: 1.5399916468587256
Energy: -61.273342404785645
Energy: 1.47870371014979
Energy: 1.6986212601742672
Energy: 1.4787037736139828
Energy: 2.2142049737334903
Energy: -111.48443377006562
Energy: 1.7890591264839732
Energy: -111.48443377008205
Energy: 1.8421660383988152
Energy: 1.5937209666534697
Energy: 1.603705010054903
Energy: 1.5937273657557507
Energy: 1.6840912655908193
Energy: 1.55290060927173
Energy: 1.6839104514922902
Energy: 1.5529006092767865
Energy: 2.0842945563848048
Energy: -57.97542343367337
Energy: 2.1770532540111223
Energy: -57.9754234336797
Energy: 1.6983980672372512
Energy: 1.63675038171876
Energy: 1.6045911007258629
Energy: 1.636750381717496
Energy: 2.3130352380694226
Energy: -51.441369379496535
Energy: 1.6039952533427713
Energy: -51.441369379496535

minimum gb energy = -111.48443377008205 eV
minimum distance =  0.00569125453556736 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: -89.84385085773825
Energy: -39.74017022191472
Energy: 1.9335422520410004
Energy: -89.7871955948246
Energy: -39.76428951021864
Energy: 1.458653372490218
Energy: 1.9261120717058149
Energy: 1.4586533725078372
Energy: 1.6290394353061661
Energy: 1.5012630723939322
Energy: -43.18007769420967
Energy: 1.5012640494395098
Energy: 1.500767340927357
Energy: -41.00599777993443
Energy: 1.8245291495754106
Energy: -41.00599777993029
Energy: 1.645647702135105
Energy: 1.5364839083454167
Energy: -42.898452348961186
Energy: 1.536483908113352
Energy: 1.8392629821088275
Energy: 1.5285816812748458
Energy: 1.4862535658976097
Energy: 1.5285816812738091
Energy: -45.098810455537155
Energy: -13.194316367848003
Energy: 1.4836117268164304
Energy: -13.194316371607535
Energy: 1.6165082041661667
Energy: 1.7780457623085988
Energy: 1.7012165097872254
Energy: 1.7780457692381775
Energy: 1.4780102892069034
Energy: 1.4232913807899483
Energy: 1.691312659603149
Energy: 1.423291380788912
Energy: 1.4844979439644228
Energy: 1.2924889518913742
Energy: 1.6959420275403991
Energy: 1.2924889518913742
Energy: 1.6199707940059147
Energy: 1.3166706134159358
Energy: 1.6264049898862964
Energy: 1.3166706135133597
Energy: -43.88654428927714
Energy: 1.2413878428734177
Energy: 1.507656948268036
Energy: 1.2413878428713447
Energy: 1.6501343230933039
Energy: 1.2415330148846082
Energy: 1.51792919109584
Energy: 1.2415330148835717
Energy: 1.6398426097072214
Energy: 1.2212532237657403
Energy: 1.5970793783028834
Energy: 1.2212532237657403
Energy: 1.5776364637462086
Energy: 1.222248077033875
Energy: 1.6057113658263344
Energy: 1.222248077033875
Energy: 1.5726109376985655
Energy: 1.2825126435949765
Energy: 1.6040105957087825
Energy: 1.28251264359394
Energy: 1.554620357372013
Energy: 1.242589231437974
Energy: 1.6484440780515397
Energy: 1.2425892314390103
Energy: 1.637919953309873
Energy: 1.2416110451351021
Energy: 1.6481728703450915
Energy: 1.2416110451371747
Energy: 1.623479096536436
Energy: 1.307341413572784
Energy: 1.642850283982959
Energy: 1.3073414135738206
Energy: 1.715357914603237
Energy: 1.2960372767533206
Energy: 1.529557415049059
Energy: 1.2960372767512478
Energy: -90.33858639536028
Energy: 1.2969741648678508
Energy: 1.4778668470120875
Energy: 1.2969741648668145
Energy: 1.737113674069222
Energy: 1.3677429549444882
Energy: 1.545125543140266
Energy: 1.3677429549434517
Energy: 1.6021201942150773
Energy: 1.3872055690374667
Energy: -90.41291471618112
Energy: 1.387205569003312
Energy: 1.4861396964076568
Energy: 1.3912476068906612
Energy: 1.8023021644405222
Energy: 1.3912476068854789
Energy: 1.5779643069952085
Energy: 1.4614857623687014
Energy: 1.9904534694710285
Energy: 1.461485762369738
Energy: -43.82716522954158
Energy: 1.4799087280114844
Energy: 1.7124168377822826
Energy: 1.4799087305423377
Energy: -44.443257614027964
Energy: 1.6504244342143704
Energy: 1.66261984636699
Energy: 1.650424434206079
Energy: 1.5852319423155061
Energy: 1.5369396507205255
Energy: 1.6292243488102613
Energy: 1.5369396364314873
Energy: 1.5102184076422038
Energy: -57.39575389872448
Energy: 1.9863794286851444
Energy: -56.781683714803286
Energy: 1.6303041312718558
Energy: -52.48359667718716
Energy: 2.0456773231999454
Energy: -52.48359667637389
Energy: -41.9668237601404
Energy: 1.5423593914515978
Energy: 1.6610828442581018
Energy: 1.5423593785745464
Energy: -44.53152789205962
Energy: -39.73668991663958
Energy: 1.662506401005854
Energy: -39.73668991663855

minimum gb energy = -90.41291471618112 eV
minimum distance =  0.00568865359172592 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 2.1186517909034266
Energy: -32.733900068737945
Energy: 1.9015757106530737
Energy: -74.47265350936112
Energy: -33.10771021886556
Energy: 1.3829212955005261
Energy: 1.8390983975290387
Energy: 1.3829212955233543
Energy: 1.5250903353557181
Energy: 1.4910101832705007
Energy: -41.11482898209108
Energy: 1.4910072305492823
Energy: 1.6458337007546682
Energy: -33.40518611260353
Energy: -35.94832146508548
Energy: -33.40518612401333
Energy: 1.7791264146193932
Energy: 1.6502907494300985
Energy: -35.12633517098916
Energy: 1.6502907494494143
Energy: -40.83584859929347
Energy: 1.4450295695191446
Energy: 1.4044855703812615
Energy: 1.4450295695209006
Energy: 1.7020016903057444
Energy: -35.91623754383754
Energy: 1.4014359218912917
Energy: -35.91623754383841
Energy: 1.721042364243563
Energy: 1.7295018134381899
Energy: 1.6659240290203918
Energy: 1.729501813435556
Energy: 1.388866543157452
Energy: 1.346977538404189
Energy: 1.730972512709842
Energy: 1.3469775384033111
Energy: 1.427092018167696
Energy: 1.2328571649226612
Energy: 1.6798770838579284
Energy: 1.2328571649226612
Energy: 1.6276160112473665
Energy: 1.2358251074482176
Energy: 1.4995762954387855
Energy: 1.2358251074482176
Energy: 1.58920872538712
Energy: 1.2850825072498002
Energy: 1.406368611620466
Energy: 1.2850825072489225
Energy: -36.74786236805436
Energy: 1.2688641647820909
Energy: 1.4509037991577114
Energy: 1.2688641647785788
Energy: 1.5489617784492862
Energy: 1.2518723400110416
Energy: 1.5629218471353163
Energy: 1.2518723400110416
Energy: 1.4395790714236598
Energy: 1.1406119759286206
Energy: -36.891934159780874
Energy: 1.1406119759294986
Energy: 1.4450710900123878
Energy: 1.1406800138812674
Energy: 1.567978401858608
Energy: 1.1406800138795112
Energy: 1.4930487903842329
Energy: 1.183101407017552
Energy: 1.5391902997054785
Energy: 1.1831014070096502
Energy: 1.5178795195275263
Energy: 1.1290495269302703
Energy: 1.4889943071954361
Energy: 1.1290495269302703
Energy: 1.5393609498214502
Energy: 1.1823626022849953
Energy: 1.4917521358733645
Energy: 1.1823626022832392
Energy: 1.584027346181738
Energy: 1.143975426271415
Energy: 1.464812909322122
Energy: 1.143975426271415
Energy: 1.551673076064605
Energy: 1.1408869328460878
Energy: 1.441582020295127
Energy: 1.1408869328452098
Energy: 1.556574229140845
Energy: 1.2001380192355824
Energy: 1.5302091334969044
Energy: 1.2001380192382163
Energy: 1.434839263661939
Energy: 1.1811271543694475
Energy: 1.6252479500196204
Energy: 1.1811271543703254
Energy: 1.4027782644143454
Energy: 1.2325400043457921
Energy: 1.6467637146285838
Energy: 1.2325400043466699
Energy: 1.4989721125877515
Energy: 1.2954689284982959
Energy: 1.6234922593392722
Energy: 1.2954689284974177
Energy: -75.80777532114364
Energy: 1.232470473207043
Energy: 1.4405276521365278
Energy: 1.2324704732052874
Energy: 1.6476368644405068
Energy: 1.346060985998149
Energy: 1.399539302109637
Energy: 1.3460609859963928
Energy: 1.7065500538358243
Energy: 1.2976294538262763
Energy: 1.6007772149107564
Energy: 1.2976294535866628
Energy: 1.4659395055243325
Energy: 1.376771063577573
Energy: 1.8420691434994272
Energy: 1.376771063572305
Energy: 1.4128999270060836
Energy: 1.3830274747547482
Energy: 1.8588322445303624
Energy: 1.3830274747556262
Energy: 1.9513578263765274
Energy: 1.6583153862579383
Energy: 1.7936840233091265
Energy: 1.6583153873180794
Energy: 1.853439917831791
Energy: -48.498113185429354
Energy: 1.5574264095387211
Energy: -48.49811318542058
Energy: -35.77309941432008
Energy: 1.422566955861648
Energy: 1.5280571436144597
Energy: 1.4225653438765056
Energy: 1.4054895174779494
Energy: 1.3828989950447659
Energy: -44.75544086404744
Energy: 1.382898989558802
Energy: 1.9044851969615326
Energy: -72.726876101717
Energy: -38.447392155146
Energy: -72.72687610162401
Energy: 1.487984014893708
Energy: 1.7104813360508233
Energy: -35.44712236714721
Energy: 1.7104813360341413
Energy: 1.9540668435390898
Energy: -36.06632030604454
Energy: 1.557543443854843
Energy: -36.06632030551183

minimum gb energy = -75.80777532114364 eV
minimum distance =  0.00568859316938406 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: -65.4443789478235
Energy: -27.848268669651453
Energy: 1.7488629223147327
Energy: -63.312804949907374
Energy: -29.048112115511707
Energy: 1.2273641331492002
Energy: 1.9088254474620183
Energy: 1.2273641331492002
Energy: 1.4066867736615232
Energy: 1.3639321395784143
Energy: 1.8604461099804581
Energy: 1.3639321396202961
Energy: 1.517246237097753
Energy: -27.815838029704036
Energy: 1.6286170452091264
Energy: -27.815838029707084
Energy: 1.4222975029971365
Energy: 1.2917798255723036
Energy: -29.22650736290033
Energy: 1.2917798256643744
Energy: 1.6285263022730443
Energy: 1.2293302987550492
Energy: 1.3024297959313265
Energy: 1.2293303732153076
Energy: 1.5941941077349862
Energy: -29.84553756070698
Energy: 1.4070620953189064
Energy: -29.84553756070622
Energy: 1.3499421102917661
Energy: 1.2927517587561594
Energy: 1.6252840700101048
Energy: 1.2927517520329104
Energy: 1.2894957263137314
Energy: 1.1558763741774833
Energy: -34.96564605159527
Energy: 1.1558763741736757
Energy: 1.35232153779478
Energy: 1.156099652683807
Energy: -33.32696571640128
Energy: 1.15609965268533
Energy: 1.568351145086079
Energy: 1.204659676332723
Energy: 1.3867935681439743
Energy: 1.2046596763319617
Energy: 1.5396970145713953
Energy: 1.1480481737726145
Energy: 1.3014191223394111
Energy: 1.148048173771853
Energy: -30.602112755948962
Energy: 1.0987402468307728
Energy: 1.3382239635874704
Energy: 1.0987402468307728
Energy: 1.38797102825439
Energy: 1.1644002416812658
Energy: 1.5074020194485889
Energy: 1.1644002416812658
Energy: 1.318220285856312
Energy: 1.0599722411204302
Energy: 1.4776098373531614
Energy: 1.0599722411196686
Energy: 1.350763275498439
Energy: 1.0610771493796145
Energy: 1.494741862142044
Energy: 1.0610771493803761
Energy: 1.461354362556778
Energy: 1.0413893059912174
Energy: 1.415005802632837
Energy: 1.041389305988933
Energy: -31.94001611582194
Energy: 1.0409032428466305
Energy: 1.356596842760174
Energy: 1.0409032428473919
Energy: 1.4687468306551061
Energy: 1.041073665574313
Energy: 1.3587972638731596
Energy: 1.0410736655750743
Energy: 1.3992805114276385
Energy: 1.0337151415472863
Energy: 1.4020189464441477
Energy: 1.0337151415472863
Energy: 1.3972487886261864
Energy: 1.031015599258637
Energy: 1.396971782206975
Energy: 1.0310155992601602
Energy: 1.4009411739492694
Energy: 1.0832326927775793
Energy: 1.4480819495723936
Energy: 1.0832326927783407
Energy: 1.3591983945195523
Energy: 1.038117491492248
Energy: 1.4527871350107626
Energy: 1.0381174914914864
Energy: 1.3533301447536472
Energy: 1.037865191932598
Energy: 1.4498537530274993
Energy: 1.037865191932598
Energy: 1.4243572499255974
Energy: 1.0915414897694142
Energy: 1.4768120233639805
Energy: 1.0915414897709372
Energy: 1.6110552705926557
Energy: 1.1094888644797254
Energy: 1.3426495680314334
Energy: 1.1094888644797254
Energy: 1.509248863334596
Energy: 1.0609644410948669
Energy: 1.3231233896439638
Energy: 1.0609644410994359
Energy: 1.3404540021362454
Energy: 1.4586745217532386
Energy: 1.388130006393732
Energy: 1.45867451998129
Energy: 1.321465865106235
Energy: 1.146968063130241
Energy: -65.28966306140278
Energy: 1.1469680631294799
Energy: 1.294724472650987
Energy: 1.0985350651756143
Energy: -65.6918594403798
Energy: 1.098535065176376
Energy: 1.3862572041833605
Energy: 1.1544466879622002
Energy: 1.3479136270473673
Energy: 1.1544466879614386
Energy: 1.5896323552438998
Energy: 1.1564227443330244
Energy: 1.2903092341496258
Energy: 1.1564227443238864
Energy: -64.89228386590979
Energy: 1.2101611235892689
Energy: 1.2957915851678712
Energy: 1.210161123634162
Energy: 1.3966176971626998
Energy: 1.228369057134612
Energy: -65.8865856898196
Energy: 1.2283690569884755
Energy: 1.3785392066019984
Energy: -65.24965218954624
Energy: 1.5904614043406706
Energy: -65.249652189547
Energy: 1.3108720229097994
Energy: 1.2332460631795787
Energy: -64.4823618909485
Energy: 1.2332460541721075
Energy: -30.545852092268298
Energy: 1.2318715753553493
Energy: 1.3818649960314686
Energy: 1.2318715753553493
Energy: 1.7490375025850682
Energy: -63.23135471993997
Energy: 1.5068442186444422
Energy: -63.23135472064709
Energy: -32.5728242926472
Energy: 1.2876567680331774
Energy: 1.4382849451343769
Energy: 1.2876567153075242
Energy: 1.2999460919321
Energy: -31.417131027619927
Energy: -30.836783381433115
Energy: -31.41713102761916
Energy: 1.4114925374742253
Energy: -62.00722700672145
Energy: 1.728995729874837
Energy: -62.00722700672298
Energy: 1.3723249307811867
Energy: 1.226524233331219
Energy: 1.4380054116159933
Energy: 1.226524231843167
Energy: 1.8617646733839555
Energy: -27.61474441142347
Energy: 1.4363386423112805
Energy: -27.61474441142347

minimum gb energy = -65.8865856898196 eV
minimum distance =  0.0056944985026291 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.019613164528128647
Energy: -510.8767250061468
Energy: 1.6167197643529159
Energy: 0.020615811079483744
Energy: -510.5417340168584
Energy: -512.0141402030735
Energy: 0.2694468278420485
Energy: -512.0141402030678
Energy: 0.26938849488576794
Energy: -512.0418327108641
Energy: 0.019666323896635998
Energy: -512.0418327102005
Energy: 0.26970776435888905
Energy: -510.9085121762242
Energy: 0.01983419089468068
Energy: -510.9085121762242
Energy: 0.2694834743397163
Energy: -512.3073413155936
Energy: -512.0299793827279
Energy: -512.3073413156224
Energy: 0.01967170679353343
Energy: -511.83816815001654
Energy: 0.2696654648521241
Energy: -511.8381681500281

minimum gb energy = -512.3073413156224 eV
minimum distance =  0.00568823876062279 Angstroms
sigma value = 1