Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.167413122951984
cohesive_energy=6.81791387822765
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.97554060734286e-20, 1.98394328234952e-19, 3.17860628949162e-19, 4.2712587103469394e-19, 5.286013303257179e-19, 6.174452290342859e-19, 6.91565124476394e-19, 7.539234412483079e-19, 8.055776159284679e-19, 8.4808015767522e-19, 8.84750776474212e-19, 9.182138376519359e-19, 9.49090985742384e-19, 9.7718355084294e-19, 1.002215958572556e-18, 1.0239847324987139e-18, 1.0422735787758238e-18, 1.057127358349638e-18, 1.0688552913105179e-18, 1.077829082637552e-18, 1.0844204373098278e-18, 1.0888969188252238e-18, 1.0914459818499179e-18, 1.0922646941098919e-18, 1.0913706795481199e-18, 1.0883986418920498e-18, 1.082834282442168e-18, 1.074033526191606e-18, 1.0614051699624179e-18, 1.0440055317171779e-18, 1.0217945570400359e-18, 9.9468733056939e-19, 9.61555919954904e-19, 9.21490288868466e-19, 8.73317644013988e-19, 8.157225983749559e-19, 7.47505121652504e-19, 6.67047015446292e-19, 5.71730323136364e-19, 4.57551205314354e-19, 3.1632253938052197e-19, 1.337034025015974e-19, -1.1139341330847418e-19, -4.3413379163181e-19, -8.38101801598668e-19, -1.314012348962028e-18, -1.86361981713612e-18, -2.51248533213978e-18, -3.36054946804866e-18, -4.4177136764608794e-18, -5.31143984643876e-18, -5.595393611282579e-18, -4.96839780733302e-18, -5.463502430771699e-18]
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: 0.020975913349653794
Energy: 2.7170804112568994
Energy: 2.6551096554848934
Energy: 0.021784141059228376
Energy: 0.021628948119761557
Energy: 2.716226907227371
Energy: 0.021699455275319923
Energy: 0.2312663619064874
Energy: 0.33026555433236116
Energy: 0.2311720706537791
Energy: 0.23110200645992526
Energy: 0.3303622633841473
Energy: 0.33026855222840384
Energy: 0.23107328500443647
Energy: 0.2311822976009493
Energy: 0.3301808971629915
Energy: 0.3299441170940708
Energy: 0.23128831680940862
Energy: 0.23138579825743516
Energy: 0.33026655752589673
Energy: 0.23126145593196534
Energy: 0.23149117313052936
Energy: 0.3297698364630329
Energy: 0.3298823238952418
Energy: 0.23107584800690403
Energy: 0.23150212860302288
Energy: 0.3297793540289725
Energy: 0.23128629439403467
Energy: 0.23150366535639222
Energy: 0.33078798577050766
Energy: 0.33014721085669335
Energy: 0.23168718475032637
Energy: 0.3298797503465479
Energy: 0.33008348338205346
Energy: 0.23128429699888978
Energy: 0.022753749675738826
Energy: 0.3302005389041038
Energy: 0.23157732035996614
Energy: 0.02165672148472923
Energy: 0.021763373271314754
Energy: 0.33055334654010077
Energy: 0.23131444585899294

minimum gb energy = 0.020975913349653794 eV
minimum distance =  2.70550664220375 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 3.711882376069683
Energy: 2.235785599285756
Energy: 2.088694474327535
Energy: 2.004958038164059
Energy: 2.0058378878061993
Energy: 2.072654155946101
Energy: 2.047788695576712
Energy: 2.1950882893993704
Energy: 2.1666095449994507
Energy: 2.2246211179751225
Energy: 2.1544959667976706
Energy: 2.1859216945867534
Energy: 2.221670072534542
Energy: 2.1625616747947274
Energy: 2.0994880068945507
Energy: 2.158411949328263
Energy: 2.0835937955373836
Energy: 2.107072666727196
Energy: 2.144257784012291
Energy: 2.1657952594603964
Energy: 2.0841345219227607
Energy: 2.081704635471948
Energy: 2.1588872825885517
Energy: 2.08101597988436
Energy: 2.098831735685085
Energy: 2.1185372373213056
Energy: 2.165913107400417
Energy: 2.0839672856508744
Energy: 2.087026884200881
Energy: 2.0477427465985785
Energy: 2.084444564599204
Energy: 2.084740796568717
Energy: 2.0837671757073735
Energy: 2.0514393596235228
Energy: 2.084507716154305
Energy: 2.1622930725027247
Energy: 2.084969252570917
Energy: 2.0957170367703926
Energy: 2.201688011821651
Energy: 2.144263701909833
Energy: 2.084705113860698
Energy: 2.0828325759082396
Energy: 2.1606195376694974
Energy: 2.1013265976650644
Energy: 2.092810497552081
Energy: 2.1981456261243104
Energy: 2.153092994644007
Energy: 2.0938743008889777
Energy: 2.081506135939405
Energy: 2.1656565527979104
Energy: 2.1092239373087094
Energy: 2.1424364352272836
Energy: 2.1733704442332002
Energy: 2.0723197256355887
Energy: 2.1389069843873068
Energy: 2.141038585974865
Energy: 2.077252844531782
Energy: 2.018875360685867
Energy: 2.028047429475491
Energy: 2.0811916207736663
Energy: 2.01405463753665
Energy: 2.0184751489550834
Energy: 2.144177668983543
Energy: 2.0786993973123877
Energy: 2.0160520851087744
Energy: 2.0112169494505516
Energy: 2.0723800667617382
Energy: 2.0434736478254507
Energy: 2.0032954789515887
Energy: 2.0292199104515283
Energy: 2.173608135642666
Energy: 2.110806838804406
Energy: 2.1997568935754166
Energy: 2.2826312179291235
Energy: 2.1169686415568285
Energy: 2.120411636540199
Energy: 2.1435749605464856
Energy: 2.1689454019122705
Energy: 2.1095606627608365
Energy: 2.089033487995626
Energy: 2.170918114005684
Energy: 2.104163645007871
Energy: 2.0838040250094076
Energy: 2.0849681048341457
Energy: 2.1587139420486996
Energy: 2.100122190221974
Energy: 2.121579498729127
Energy: 2.1834360171292775
Energy: 2.1236251572646205
Energy: 2.0851510544499474
Energy: 2.114541400263135
Energy: 2.058975578531918
Energy: 2.1164758848470897
Energy: 2.143855102540531
Energy: 2.2327169965187013
Energy: 2.1435014855374783
Energy: 2.1703513604881723
Energy: 2.182897720544037
Energy: 2.0416042285775173
Energy: 2.04926344487868
Energy: 2.092906122538692
Energy: 2.0927445588445086
Energy: 2.078292157566734
Energy: 2.0509527525148656
Energy: 2.057499729258236
Energy: 2.0819558276998555
Energy: 2.0578438177081293
Energy: 2.053200151251544
Energy: 2.043436797187953
Energy: 2.10081675850593
Energy: 2.055179675654544
Energy: 2.0529600525232294
Energy: 2.0643317526145704
Energy: 2.061144065172681
Energy: 2.0610347604008257
Energy: 2.084526749867295
Energy: 2.10077012543441
Energy: 2.0998456819742866
Energy: 2.102347304980878
Energy: 2.008513398867077
Energy: 2.0675224054703683
Energy: 2.0374370505985464
Energy: 1.984201969926184
Energy: 2.0171910816845564
Energy: 2.063863693961141
Energy: 2.027036970843322
Energy: 2.01426205250241
Energy: 2.040780618619464
Energy: 1.998753870222715
Energy: 2.032150016736754
Energy: 2.00778457069702
Energy: 2.0388235515297084
Energy: 1.9994043543447644
Energy: 2.0674833534006205
Energy: 2.0632684027323416
Energy: 2.056464781046802
Energy: 2.1084493529521096
Energy: 2.0992733292531636
Energy: 2.059007028425746
Energy: 2.226549521797811
Energy: 2.0694238693199827
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Energy: 2.0611150787553565
Energy: 2.0598109921456147
Energy: 2.0787722685405
Energy: 2.055227482349321
Energy: 2.0593263374377426
Energy: 2.0742805574667713
Energy: 2.0552169891720355
Energy: 2.0799422845885904
Energy: 2.0604495966289393
Energy: 2.0854295505845255
Energy: 2.08297352032151
Energy: 2.053593478604846
Energy: 2.0041984203998453
Energy: 2.0686377586966795
Energy: 2.0294161854415935
Energy: 2.020378267469461
Energy: 2.008060254927732
Energy: 2.0793333670015812
Energy: 2.058469594730964
Energy: 2.0133425440319797
Energy: 2.0579058805594723
Energy: 2.024671736970923
Energy: 2.00663015180864
Energy: 2.008587265609498
Energy: 2.061757412354623
Energy: 2.020050187890973
Energy: 2.0108496886847194
Energy: 2.058884549295282
Energy: 2.0217818379780583
Energy: 2.044728178152525
Energy: 2.0546408120927375
Energy: 2.0690299820692686
Energy: 2.015162819852216
Energy: 2.085269877997859
Energy: 2.008140781186147
Energy: 2.0460027736408386
Energy: 2.081961281831948
Energy: 2.0100989673026253
Energy: 2.0294965970788788
Energy: 2.0233424263917774
Energy: 2.0476550494193493
Energy: 2.015919088322663
Energy: 2.016273171412852
Energy: 2.0658846637050474
Energy: 2.0400136889665985
Energy: 2.0045211726181003
Energy: 2.0253744966463354
Energy: 2.083650335749179
Energy: 2.0181506202526873
Energy: 2.037152378079064
Energy: 2.222483688961095
Energy: 2.1294068798109658
Energy: 2.035067501408101
Energy: 2.021443550056717
Energy: 2.0084876626905586
Energy: 2.0814279752669345
Energy: 2.0214803346267454
Energy: 2.033951101390736
Energy: 2.046177561084933
Energy: 2.227422997909345
Energy: 2.015782623417282
Energy: 2.0045489321061845
Energy: 2.046185056911414
Energy: 2.0644792497916193
Energy: 2.0062387417002054
Energy: 2.0203408381816965
Energy: 2.0648130798461803
Energy: 2.057256519117891
Energy: 2.103705638931342
Energy: 2.173668687789652
Energy: 2.0220947964386293
Energy: 2.032623258663962
Energy: 2.181952067835301
Energy: 2.053620505068753
Energy: 2.1779190481038846
Energy: 2.085406119710377
Energy: 2.009614224212249
Energy: 2.015289633227876
Energy: 2.133798918199771
Energy: 2.0813808104880644
Energy: 2.024890229181357
Energy: 2.022776835692833
Energy: 2.058457785762225
Energy: 2.014689256642516
Energy: 2.016907330582322
Energy: 2.0611240217294835
Energy: 2.0691470283542177
Energy: 2.0064048732785515
Energy: 2.0252651564339397
Energy: 2.056669430602472
Energy: 2.0143107425099935
Energy: 2.061230313698852
Energy: 2.085712783968277
Energy: 2.0592861361174077
Energy: 2.020401747069898
Energy: 2.029009080050062
Energy: 2.05336737567145
Energy: 2.0736306462871568
Energy: 2.052609063387475
Energy: 2.0835964052801144
Energy: 2.074570964592798
Energy: 2.110111183246474
Energy: 2.09308949359135
Energy: 2.051196782432605
Energy: 2.070664417055592
Energy: 2.095842630458742
Energy: 2.0549407129066437
Energy: 2.070500607392976
Energy: 2.0633135238348888
Energy: 2.0960087331956303
Energy: 2.058590105648199
Energy: 2.0673861711499533
Energy: 2.2205514000746103
Energy: 2.0665295665731787
Energy: 2.0947897394027097
Energy: 2.205485711169632
Energy: 2.1948613843330045
Energy: 2.0650072044321206
Energy: 2.0119190694726314
Energy: 2.008549701158655
Energy: 2.144027003696829
Energy: 2.043193501134643
Energy: 2.0092272266216145
Energy: 1.9993466153958896
Energy: 2.0658508126971533
Energy: 2.015747470469161
Energy: 1.9864762972401226
Energy: 2.0515768790240676
Energy: 2.064895453961842
Energy: 1.9855812609595294
Energy: 1.9947199218055331
Energy: 2.068677981383279
Energy: 2.0725552381958736
Energy: 2.1306043965523367
Energy: 2.058362656982732
Energy: 2.095680731836211
Energy: 2.0829168575035464
Energy: 2.0845065005274286
Energy: 2.05640423566211
Energy: 2.051984596230141
Energy: 2.0544358689768796
Energy: 2.054567896971435
Energy: 2.05913054363088
Energy: 2.0426483838167946
Energy: 2.0528688111293634
Energy: 2.0456256148143637
Energy: 2.0439637056222226
Energy: 2.060697456442664
Energy: 2.081041615533947
Energy: 2.0856130885232367
Energy: 2.043611418421224
Energy: 2.054568773071939
Energy: 2.222747865688535
Energy: 2.2108581834024963
Energy: 2.1634603607359026
Energy: 2.2271206694139343
Energy: 2.119900048453844
Energy: 2.234711099049826
Energy: 2.20281335298522
Energy: 2.096148569142086
Energy: 2.1757563160650424
Energy: 2.0811676964469976
Energy: 2.1056924507875174
Energy: 2.1163711061110204
Energy: 2.1930593486990864
Energy: 2.0853611265324554
Energy: 2.108588181487942
Energy: 2.1714596205883026
Energy: 2.0847109524939813
Energy: 2.084680778757486
Energy: 2.1027261304994056
Energy: 2.1696740819084175
Energy: 2.0888076235718906
Energy: 2.052224098801839
Energy: 2.0464162665934253
Energy: 2.15548498747033
Energy: 2.1239077478643225
Energy: 2.1416111980104175
Energy: 2.3131769730280034
Energy: 2.150843666137425
Energy: 2.0119253907542514
Energy: 2.0817575695279196
Energy: 2.0612932103615864
Energy: 2.004090833574693
Energy: 2.0049338723581234
Energy: 2.063730126846873
Energy: 2.037672901649865

minimum gb energy = 1.984201969926184 eV
minimum distance =  2.41993088267345 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 3.2323199761693386
Energy: 2.2292204270681717
Energy: 2.2833627160207426
Energy: 2.209441346832267
Energy: 2.1873220579633075
Energy: 2.2300067055804065
Energy: 2.25618547595613
Energy: 2.2183279666382583
Energy: 2.2339670091702915
Energy: 2.2681053147072454
Energy: 2.268728825615078
Energy: 2.159425645131869
Energy: 2.1741073134576436
Energy: 2.24927871207207
Energy: 2.1680736848688826
Energy: 2.174324907636883
Energy: 2.163504584329845
Energy: 2.1826003712889874
Energy: 2.1753129725546394
Energy: 2.23099912541545
Energy: 2.1653750515000088
Energy: 2.151220116429386
Energy: 2.096355667813093
Energy: 2.1647413554042525
Energy: 2.1621657932287572
Energy: 2.165617101386736
Energy: 2.0966650384233696
Energy: 2.165114835419376
Energy: 2.1506910286739007
Energy: 2.1739259540563367
Energy: 2.164011055909903
Energy: 2.1550871066803454
Energy: 2.2159934451673675
Energy: 2.341485847017494
Energy: 2.1531359018469325
Energy: 2.3997695108436696
Energy: 2.212125604672737
Energy: 2.2208378849413264
Energy: 2.2162601092324805
Energy: 2.2070840153033995
Energy: 2.2196291554959022
Energy: 2.2099044704060073
Energy: 2.399748034911557
Energy: 2.203834911983905
Energy: 2.206183586431524
Energy: 2.3084020419534825
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Energy: 2.209521424051562
Energy: 2.2028121717226434
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Energy: 2.220140507805545
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Energy: 2.201211712829795
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Energy: 2.1658228023304154
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Energy: 2.1173094163206096
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Energy: 2.1889321854454544
Energy: 2.134392638615599
Energy: 2.1171049739912893
Energy: 2.122567955626722
Energy: 2.1674810620307507
Energy: 2.1338059199993973
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Energy: 2.1538943554541277
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Energy: 2.161767589480217
Energy: 2.1169343784221435
Energy: 2.1160639662777454
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Energy: 2.1621862522282576
Energy: 2.1167730334416097
Energy: 2.195156013356217
Energy: 2.2317606820296176
Energy: 2.2125300229410687
Energy: 2.2159582014833257
Energy: 2.162596920080285
Energy: 2.26208596884543
Energy: 2.178743861782135
Energy: 2.066321415953101
Energy: 2.1026477124261613
Energy: 2.1115845446366976
Energy: 2.0514946363622935
Energy: 2.051726539522702
Energy: 2.103122646341196
Energy: 2.1148833098129836
Energy: 2.0642169982032588
Energy: 2.0997699713287625
Energy: 2.109880304219398
Energy: 2.056827804746354
Energy: 2.0533710320936645
Energy: 2.206339112597887
Energy: 2.113035039039032
Energy: 2.1329732629932305
Energy: 2.204190791982627
Energy: 2.1148723702187397
Energy: 2.1672164911011627
Energy: 2.130183731134169
Energy: 2.2547807779079387
Energy: 2.13714788968409
Energy: 2.140503926164718
Energy: 2.1676717215821983
Energy: 2.116545966784931
Energy: 2.1161931076161977
Energy: 2.136705071743972
Energy: 2.160671251471662
Energy: 2.1169346883122304
Energy: 2.128526982674694
Energy: 2.181825753099545
Energy: 2.1162141495884663
Energy: 2.13808174934873
Energy: 2.1825865036537957
Energy: 2.2611043762764274
Energy: 2.1347339597351707
Energy: 2.2284846887583902
Energy: 2.2132376296049276
Energy: 2.219957552897367
Energy: 2.2185752426447873
Energy: 2.2091060097987554
Energy: 2.213085791254479
Energy: 2.2537840499540787
Energy: 2.4040219258518847
Energy: 2.209106548135263
Energy: 2.208323936782206
Energy: 2.24936936173753
Energy: 2.226254543578407
Energy: 2.20744733264908
Energy: 2.2146690342231867
Energy: 2.3984215928958794
Energy: 2.228875633703533
Energy: 2.235398943755713
Energy: 2.2926719351854037
Energy: 2.228464150016623
Energy: 2.2265764536097796
Energy: 2.2218676491610827
Energy: 2.191604180434429
Energy: 2.225160613848002
Energy: 2.1796683683172597
Energy: 2.1909822140099924
Energy: 2.232032442187124
Energy: 2.214427355341324
Energy: 2.194967287969445
Energy: 2.1232976337567564
Energy: 2.1161873384493197
Energy: 2.109703906378655
Energy: 2.1138991875523154
Energy: 2.110382035511412
Energy: 2.105013091937643
Energy: 2.1132295693118706
Energy: 2.1241572025392066
Energy: 2.1375367513374184
Energy: 2.1937128382999087
Energy: 2.1728756358609127
Energy: 2.1670700829784826
Energy: 2.2127988694548475
Energy: 2.1178491614580244
Energy: 2.4752502496254065
Energy: 2.229269965001408
Energy: 2.220723021406607
Energy: 2.2269582396626926
Energy: 2.2293349584341025
Energy: 2.2146002117781753
Energy: 2.2229302560875928
Energy: 2.413097480099755
Energy: 2.291512599262236
Energy: 2.2225756967538546
Energy: 2.2238990034838304
Energy: 2.2305676829981462
Energy: 2.2207143601459083
Energy: 2.2217855692840125
Energy: 2.3237566933909415
Energy: 2.228686175873548
Energy: 2.2155778232972274
Energy: 2.223832216840865
Energy: 2.2395257129625508
Energy: 2.2136062649218773
Energy: 2.225366886803577
Energy: 2.1210320835147107
Energy: 2.172264762759145
Energy: 2.1601404350081044
Energy: 2.169363996703911
Energy: 2.167475471585788
Energy: 2.2291354882792946
Energy: 2.118868209493927
Energy: 2.122740594775786
Energy: 2.133821778778912
Energy: 2.116653875202412
Energy: 2.1498842989244964
Energy: 2.125275976308015
Energy: 2.134969083855462
Energy: 2.116173677110618
Energy: 2.1331650031307228
Energy: 2.1368135391760754
Energy: 2.1189215134609016
Energy: 2.1545004289808594
Energy: 2.1597348590759267
Energy: 2.13372202745685
Energy: 2.1218856271517996
Energy: 2.169718863451164
Energy: 2.165596920373723
Energy: 2.162995471717652
Energy: 2.15036558278021
Energy: 2.1670583411201743
Energy: 2.307741680554176
Energy: 2.1616462465280137
Energy: 2.167019799742904
Energy: 2.0997913550150384
Energy: 2.165198622103412
Energy: 2.16300136313859
Energy: 2.1664814667095627
Energy: 2.2306810102891403
Energy: 2.238699189859156
Energy: 2.167553092873363
Energy: 2.1702050957885977
Energy: 2.1640051701016665
Energy: 2.154572513958409
Energy: 2.167227165921633
Energy: 2.298268230997334
Energy: 2.1524897266528287
Energy: 2.1840010336084283
Energy: 2.1367649862054923
Energy: 2.2051493154132467
Energy: 2.178781364572949
Energy: 2.1184304720707225
Energy: 2.1337934118224253
Energy: 2.11979586349541

minimum gb energy = 2.0514946363622935 eV
minimum distance =  2.38310981793659 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.414459877244959
Energy: 2.3389912269428335
Energy: 2.3831473648590427
Energy: 2.4113310942338413
Energy: 2.266157313263799
Energy: 2.381184717264237
Energy: 2.413231270346178
Energy: 2.2430907460902265
Energy: 2.2070486835324963
Energy: 2.227605966214308
Energy: 2.2559151061330835
Energy: 2.229546937555392
Energy: 2.2253698648178073
Energy: 2.216714364761831
Energy: 2.2674323876963736
Energy: 2.2582162400035695
Energy: 2.2574837914478505
Energy: 2.268072973938351
Energy: 2.2624910573946786
Energy: 2.233279520405787
Energy: 2.268492702582178
Energy: 2.174427641824519
Energy: 2.1984544258760623
Energy: 2.171874039365238
Energy: 2.1740756592188215
Energy: 2.184716746614638
Energy: 2.1981834027787843
Energy: 2.1756506477029207
Energy: 2.292526738028221
Energy: 2.223555764475485
Energy: 2.309494419723321
Energy: 2.3123561863783944
Energy: 2.2622798523947276
Energy: 2.340223404497476
Energy: 2.3003898569954018
Energy: 2.3313817746662924
Energy: 2.3614532442617913
Energy: 2.3897682413802017
Energy: 2.2413114372611416
Energy: 2.3539949725769262
Energy: 2.3887136778695197
Energy: 2.2488434440806975
Energy: 2.3317729306529604
Energy: 2.3513767723132832
Energy: 2.377696078349431
Energy: 2.342147954722979
Energy: 2.353554183644234
Energy: 2.3877338669553905
Energy: 2.361295157417817
Energy: 2.218189062420181
Energy: 2.1928746508106483
Energy: 2.255898714802832
Energy: 2.230286399831835
Energy: 2.2339737700151274
Energy: 2.2621431003745736
Energy: 2.241354056176952
Energy: 2.25261678146112
Energy: 2.2696789410760427
Energy: 2.307372451472593
Energy: 2.258561646829518
Energy: 2.269763326287276
Energy: 2.2618638491946643
Energy: 2.264107392937815
Energy: 2.252553338614974
Energy: 2.3160322708364802
Energy: 2.319008850272633
Energy: 2.2531442068334706
Energy: 2.282966016101473
Energy: 2.309693149596187
Energy: 2.3162223519950427
Energy: 2.2073718361931918
Energy: 2.226792408869785
Energy: 2.257410068951075
Energy: 2.2308152843559275
Energy: 2.2452641145670618
Energy: 2.196875510270043
Energy: 2.239525116516945
Energy: 2.3399032042536443
Energy: 2.3482678748916097
Energy: 2.418004525732761
Energy: 2.3459815490542204
Energy: 2.350499043949579
Energy: 2.3914919639445986
Energy: 2.414847599929077
Energy: 2.3387421002907
Energy: 2.3482600417403474
Energy: 2.410311479866052
Energy: 2.4077927985729857
Energy: 2.2019100571254127
Energy: 2.279435489038537
Energy: 2.2781586314026527
Energy: 2.2097392023820266
Energy: 2.2416181069637315
Energy: 2.2560993464048162
Energy: 2.2292963108722033
Energy: 2.228308761381386
Energy: 2.2356687820641103
Energy: 2.1956969784789724
Energy: 2.2898480464634177
Energy: 2.2587667174974797
Energy: 2.264410482666453
Energy: 2.2581442491415764
Energy: 2.257608222099946
Energy: 2.259762161189158
Energy: 2.264648119231371
Energy: 2.199705823491775
Energy: 2.1710098800114084
Energy: 2.189697984809664
Energy: 2.197732594830856
Energy: 2.213423199687835
Energy: 2.175402559969076
Energy: 2.1900715187312647
Energy: 2.215182784869039
Energy: 2.2460527591354364
Energy: 2.232417872734042
Energy: 2.2544345434264508
Energy: 2.2850090817376096
Energy: 2.254152283531369
Energy: 2.2236097630589007
Energy: 2.370255564902197
Energy: 2.369167426946205
Energy: 2.3337014830474363
Energy: 2.359610539857658
Energy: 2.27298201193429
Energy: 2.2509004988585666
Energy: 2.3520063624317875
Energy: 2.3479393689425327
Energy: 2.365090727819214
Energy: 2.332704474267273
Energy: 2.2235370333614366
Energy: 2.2548259037772156
Energy: 2.235183148666124
Energy: 2.332568525151973
Energy: 2.1924678530619004
Energy: 2.260726828578546
Energy: 2.2326705133729954
Energy: 2.2311855805383196
Energy: 2.2538326220501212
Energy: 2.231908982351293
Energy: 2.228444830232819
Energy: 2.314023177406811
Energy: 2.3185922661031313
Energy: 2.268338867374479
Energy: 2.31531755934952
Energy: 2.2657598093701052
Energy: 2.3163881295908113
Energy: 2.2540818790180754
Energy: 2.3138247362169437
Energy: 2.264364805355352
Energy: 2.2584019177497634
Energy: 2.2580355130192094
Energy: 2.267125149206643
Energy: 2.269297066001961
Energy: 2.2901994377668573
Energy: 2.1981799600978986
Energy: 2.234536340261203
Energy: 2.2290185269871223
Energy: 2.2285120190626064
Energy: 2.2617307685007724
Energy: 2.239970860703785
Energy: 2.245599604967016
Energy: 2.3467114371560283
Energy: 2.4152873133147383
Energy: 2.345789466852925
Energy: 2.3422659382223223
Energy: 2.423119274116916
Energy: 2.4229264317812436
Energy: 2.3398958435021187
Energy: 2.347826214361479
Energy: 2.4153107210795226
Energy: 2.4107542776306854
Energy: 2.202436338851109
Energy: 2.2649137319985013
Energy: 2.279360085190502
Energy: 2.2188186696852457
Energy: 2.213107146102668
Energy: 2.2529881440750774
Energy: 2.2482409196985005
Energy: 2.2280075169137388
Energy: 2.2626595191836705
Energy: 2.23011263797222
Energy: 2.2574579729255637
Energy: 2.2599922177722083
Energy: 2.2639947241846334
Energy: 2.2583498952844687
Energy: 2.2578491615095952
Energy: 2.2738161819881086
Energy: 2.2702833780055602
Energy: 2.2868357807557653
Energy: 2.1971356168962997
Energy: 2.188935731418164
Energy: 2.2284794512955655
Energy: 2.2047078729810723
Energy: 2.2225674100754698
Energy: 2.2260837348378972
Energy: 2.2143707778847186
Energy: 2.244071745532933
Energy: 2.203542408221088
Energy: 2.251995473712472
Energy: 2.2834767714598323
Energy: 2.249211473037284
Energy: 2.2228780812010127
Energy: 2.2751603414509924
Energy: 2.368374708598797
Energy: 2.3324382458473396
Energy: 2.3446134355011674
Energy: 2.378509569664001
Energy: 2.3339345443487476
Energy: 2.3882078790598067
Energy: 2.360656621600595
Energy: 2.3643908782563505
Energy: 2.3330944061782417
Energy: 2.3455611255442825
Energy: 2.2548990238339304
Energy: 2.235490943004373
Energy: 2.221996978320278
Energy: 2.3614087363979146
Energy: 2.2445292503022074
Energy: 2.2271148509509344
Energy: 2.235266778199829
Energy: 2.2574650730228956
Energy: 2.2273921904662246
Energy: 2.23481781647122
Energy: 2.2365380194691173
Energy: 2.319156509388322
Energy: 2.2676178730482244
Energy: 2.3149411695833257
Energy: 2.3187654033302074
Energy: 2.315885376909537
Energy: 2.2526575655427594
Energy: 2.3096487057791424
Energy: 2.216781614651139
Energy: 2.258734329186398
Energy: 2.263287857280561
Energy: 2.2641935499647423
Energy: 2.2595652430669286
Energy: 2.282019187266055
Energy: 2.262983495752025
Energy: 2.273644743076026
Energy: 2.229076303709931
Energy: 2.222254542621867
Energy: 2.255432709355132
Energy: 2.241663340747436
Energy: 2.2450392833701005
Energy: 2.198988684390349
Energy: 2.4136389906328928
Energy: 2.339803084168886
Energy: 2.342350381385654
Energy: 2.410144036437289
Energy: 2.422393374975091
Energy: 2.348445623229789
Energy: 2.4048715959293125

minimum gb energy = 2.1710098800114084 eV
minimum distance =  2.39844729382203 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.5722899633218033
Energy: 2.3832484623673675
Energy: 2.451117746501975
Energy: 2.1994647661648594
Energy: 2.1989900578595516
Energy: 2.1988101394816453
Energy: 2.198831395132895
Energy: 2.245435126878632
Energy: 2.1965058801564084
Energy: 2.1996958935348
Energy: 2.344257680905109
Energy: 2.197341802734447
Energy: 2.1281363337396924
Energy: 2.285684811783714
Energy: 2.2472266422128975
Energy: 2.128696135519973
Energy: 2.267534445117259
Energy: 2.3878303399128646
Energy: 2.1963347426187463
Energy: 2.126989226795621
Energy: 2.267010555779154
Energy: 2.2703297878001414
Energy: 2.0380294479165957
Energy: 2.2719930505564676
Energy: 2.27163297013084
Energy: 2.0385010498877674
Energy: 2.037118667916974
Energy: 2.269891425020782
Energy: 2.266070134786773
Energy: 2.128746874664926
Energy: 2.128483011097919
Energy: 2.1276130092206675
Energy: 2.1298230867294454
Energy: 2.1267340902291876
Energy: 2.126935379029181
Energy: 2.191921758248489
Energy: 2.1124449072939084
Energy: 2.111513356709772
Energy: 2.1119597562991017
Energy: 2.111520194810492
Energy: 2.1153157134122544
Energy: 2.1137833495533305
Energy: 2.108334257613506
Energy: 2.1149905092431736
Energy: 2.107046638254977
Energy: 2.2068670587513655
Energy: 2.106375071097018
Energy: 2.1056562518181328
Energy: 2.2072105353797222
Energy: 2.171951684770788
Energy: 2.1727573477611903
Energy: 2.1847231494571973
Energy: 2.2876681281561853
Energy: 2.1717562693257384
Energy: 2.185067342094254
Energy: 2.206764212355831
Energy: 2.3440455398705464
Energy: 2.344802020172757
Energy: 2.198523078779039
Energy: 2.341730763766319
Energy: 2.344651886871447
Energy: 2.198231612127347
Energy: 2.34629896761165
Energy: 2.1970641250770195
Energy: 2.3446184327575916
Energy: 2.2017791680103853
Energy: 2.3450161268777365
Energy: 2.344940492993042
Energy: 2.1964711054060864
Energy: 2.3457684759691384
Energy: 2.196978922293533
Energy: 2.1975459418213767
Energy: 2.1989295799021074
Energy: 2.1983141725981024
Energy: 2.196855917734853
Energy: 2.1980629870991195
Energy: 2.2691381272490796
Energy: 2.19719964014506
Energy: 2.1334865369191087
Energy: 2.2702209907967417
Energy: 2.269632203351295
Energy: 2.1970608272955565
Energy: 2.198760474316519
Energy: 2.2711433980106053
Energy: 2.3843944062715203
Energy: 2.1316051047007503
Energy: 2.1880973625367
Energy: 2.462122344405459
Energy: 2.1315259267340196
Energy: 2.1312624788091674
Energy: 2.1945484707695457
Energy: 2.2472269497595234
Energy: 2.1978256469262116
Energy: 2.1998176704673047
Energy: 2.3561164178713416
Energy: 2.2455214717631082
Energy: 2.1991333023833413
Energy: 2.2718229839054063
Energy: 2.2032793173248413
Energy: 2.1968942634597313
Energy: 2.1988232041376268
Energy: 2.3472246524287614
Energy: 2.197200596309849
Energy: 2.1994087371889055
Energy: 2.284949355427215
Energy: 2.200637831083313
Energy: 2.1971624635276004
Energy: 2.4505683512236995
Energy: 2.2004362151185504
Energy: 2.1995263096519158
Energy: 2.12935286920594
Energy: 2.20886507252456
Energy: 2.24576913029334
Energy: 2.1965822641876787
Energy: 2.200138836732712
Energy: 2.3414129543586264
Energy: 2.1977509293514528
Energy: 2.1281468847046305
Energy: 2.2867063639332676
Energy: 2.247188220289798
Energy: 2.1285290910084527
Energy: 2.2670439288858804
Energy: 2.269849728307288
Energy: 2.197134554895369
Energy: 2.1269632044752926
Energy: 2.267025026248115
Energy: 2.270319125239899
Energy: 2.0389409211384133
Energy: 2.2725781739228252
Energy: 2.2715958587816294
Energy: 2.038547584171636
Energy: 2.0371147853557225
Energy: 2.2697742027725525
Energy: 2.266363470797216
Energy: 2.1293611099944223
Energy: 2.128968911671329
Energy: 2.127355101737521
Energy: 2.111799406343861
Energy: 2.126642118091436
Energy: 2.1267357559661666
Energy: 2.1916285388770214
Energy: 2.11235269096986
Energy: 2.111415950992519
Energy: 2.1126900453244937
Energy: 2.1115821553239136
Energy: 2.1156719047243064
Energy: 2.1138048059908057
Energy: 2.1079572046774335
Energy: 2.1157046075599
Energy: 2.106997903719827
Energy: 2.2069513499710705
Energy: 2.1063532780826986
Energy: 2.105599848392696
Energy: 2.2076876686991103
Energy: 2.17228038498096
Energy: 2.1720917166710274
Energy: 2.1844894139852387
Energy: 2.2876160224382924
Energy: 2.1718027334314285
Energy: 2.1861098234702707
Energy: 2.2067817685433466
Energy: 2.344164467040943
Energy: 2.3446907190314707
Energy: 2.19879634762214
Energy: 2.3431256665098603
Energy: 2.344767279471055
Energy: 2.198354018151647
Energy: 2.34645226670715
Energy: 2.19705649764829
Energy: 2.3446508608248204
Energy: 2.2017645717017733
Energy: 2.344877007284343
Energy: 2.344918575682911
Energy: 2.196279296721466
Energy: 2.197102005291618
Energy: 2.196829065205816
Energy: 2.197353800217973
Energy: 2.199641910169812
Energy: 2.196838278451146
Energy: 2.19669420847046
Energy: 2.1979992146940845
Energy: 2.2691841736241685
Energy: 2.246444359438859
Energy: 2.1334647783648903
Energy: 2.2712286982498258
Energy: 2.2690144843972564
Energy: 2.197326158317727
Energy: 2.1984371055296794
Energy: 2.397508515563338
Energy: 2.383956921433203
Energy: 2.1318102197184747
Energy: 2.188081169426662
Energy: 2.461880990614286
Energy: 2.13158084437427
Energy: 2.131419040755381
Energy: 2.1943526077874993
Energy: 2.2472868089479507
Energy: 2.197780333545585
Energy: 2.200063564925103
Energy: 2.356884585779397
Energy: 2.2453992505765483
Energy: 2.2004878736975924
Energy: 2.199219766903256
Energy: 2.2017930292353594
Energy: 2.1970119884709125
Energy: 2.1986647298679416
Energy: 2.3093922097063726
Energy: 2.197352489453135
Energy: 2.1991996558637945
Energy: 2.230459513674592

minimum gb energy = 2.0371147853557225 eV
minimum distance =  2.4488361966226 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.8025920663065977
Energy: 2.1291815364035838
Energy: 1.9796015968524001
Energy: 2.2114947190613683
Energy: 2.043033431249529
Energy: 2.129462639615766
Energy: 2.0432745897923787
Energy: 2.0982387535660623
Energy: 2.162882163044697
Energy: 2.0990005312068876
Energy: 2.09663139252419
Energy: 2.0966721119824614
Energy: 2.0935344983732156
Energy: 2.097079089637372
Energy: 2.1001543980449817
Energy: 2.1629292433921417
Energy: 2.096548142817037
Energy: 2.085665164489951
Energy: 2.094802527374782
Energy: 2.0922139485395026
Energy: 2.0998778979275814
Energy: 2.0816559809044013
Energy: 2.129001185733609
Energy: 1.9946882632114307
Energy: 2.100696813884881
Energy: 2.129138665061624
Energy: 1.994035476505328
Energy: 2.09632098107584
Energy: 2.0594832770995497
Energy: 1.995285355606676
Energy: 2.0977978489319624
Energy: 2.0813362685546557
Energy: 2.0618172691789223
Energy: 1.9968661151996097
Energy: 2.095240804183525
Energy: 2.0405064971633107
Energy: 2.040878329202848
Energy: 2.098119940500937
Energy: 2.0852153295012177
Energy: 2.0299649937732247
Energy: 2.092411783985996
Energy: 2.0934691609305003
Energy: 1.9659733469915992
Energy: 2.0302658512389193
Energy: 1.9799207854820031
Energy: 2.0829989147172867
Energy: 2.030445383779307
Energy: 2.079753395019874
Energy: 1.9832069905061445
Energy: 1.9686291696088885
Energy: 1.967317980021358
Energy: 2.081668670160257
Energy: 1.970640495666712
Energy: 1.9673602564253834
Energy: 1.9681400703562841
Energy: 1.9502310415008852
Energy: 1.968690906314636
Energy: 1.9659465546069042
Energy: 1.9659158689424294
Energy: 1.9663023660475778
Energy: 1.9661100563685792
Energy: 1.9662937420943223
Energy: 1.96764900341676
Energy: 1.942117236529953
Energy: 1.9422742759053153
Energy: 1.9746373109260835
Energy: 1.9430198946555126
Energy: 1.941989256059941
Energy: 1.9416586867081616
Energy: 2.0161623140830778
Energy: 2.034718089266947
Energy: 2.037567788019513
Energy: 2.0137355993675405
Energy: 2.012578426387407
Energy: 2.0340942698632998
Energy: 2.068822602218258
Energy: 2.012189881620892
Energy: 2.012979529995612
Energy: 2.0688404122504247
Energy: 2.0415154436393923
Energy: 2.0122982972916277
Energy: 2.036899488847801
Energy: 2.0380276871277094
Energy: 2.0127302053332254
Energy: 2.02049143804344
Energy: 1.999854529561059
Energy: 1.9427405325246037
Energy: 1.9436801929193883
Energy: 1.9412570739631068
Energy: 1.942505722583595
Energy: 1.9419014008125106
Energy: 1.975671367410231
Energy: 1.9417358552558805
Energy: 1.9420034757443798
Energy: 1.9423538303701013
Energy: 1.9419581601770812
Energy: 1.9433226236058319
Energy: 1.9424044433597378
Energy: 1.967456429431872
Energy: 1.9671956776472075
Energy: 1.9669912330785568
Energy: 1.967983946704541
Energy: 1.966875758027716
Energy: 1.965479756300218
Energy: 1.9683061132096802
Energy: 2.093182277745475
Energy: 2.039861770611173
Energy: 2.027718216564229
Energy: 2.0820467703863006
Energy: 2.080049419729426
Energy: 2.0281612599443664
Energy: 2.0731624171097245
Energy: 2.094210204917823
Energy: 2.080019799239124
Energy: 2.0263057474970956
Energy: 2.0846138855893015
Energy: 2.0795216584835967
Energy: 2.028302014690922
Energy: 2.0972741049878096
Energy: 2.0971066682517265
Energy: 2.094079680506742
Energy: 2.0601831409088396
Energy: 2.104286017133999
Energy: 2.097142872923079
Energy: 2.0411822211875914
Energy: 2.0164928760871477
Energy: 2.097203825597861
Energy: 1.9959831504189547
Energy: 2.013572293630441
Energy: 2.0974428101720304
Energy: 1.9947413733800121
Energy: 1.9966904012578681
Energy: 1.9963410190053326
Energy: 2.098667928850254
Energy: 2.0922967492443427
Energy: 2.0964020965487498
Energy: 2.096397361299884
Energy: 2.097326893475564
Energy: 2.092097197111743
Energy: 2.095822954750915
Energy: 2.0968614792553675
Energy: 2.092572048615785
Energy: 2.09662967312409
Energy: 2.085017214498464
Energy: 2.096869040470968
Energy: 2.092734923262155
Energy: 2.095750429076558
Energy: 2.09631190457616
Energy: 2.069301156234224
Energy: 2.2232389246239004
Energy: 2.129611506226161
Energy: 2.0686192250251265
Energy: 2.043136390930942
Energy: 2.224328486538224
Energy: 2.0965690891271564
Energy: 2.1296924489931177
Energy: 2.2236080312881574
Energy: 2.129854995733442
Energy: 2.0710553105002534
Energy: 1.9955746742147802
Energy: 2.223230682199656
Energy: 2.0964387810894998
Energy: 2.1637027325658695
Energy: 2.0966519911690567
Energy: 2.084661123028163
Energy: 2.096827261558918
Energy: 2.0922346733399024
Energy: 2.0964295003990143
Energy: 2.219528994686964
Energy: 2.0932502854776907
Energy: 2.0965079609606345
Energy: 2.2102917561831568
Energy: 2.1299957918156296
Energy: 2.0919720822233274
Energy: 2.096125867573424

minimum gb energy = 1.9412570739631068 eV
minimum distance =  2.47163886810915 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 2.7425473556410975
Energy: 1.9908682658925525
Energy: 1.9383667377799942
Energy: 2.117919420037826
Energy: 2.1153006696921177
Energy: 1.9464375308564275
Energy: 2.0688076457788998
Energy: 1.9300228636115768
Energy: 1.8838039158591584
Energy: 1.9280821290486736
Energy: 1.9285176500940355
Energy: 1.9273310032917637
Energy: 1.9263062349420037
Energy: 1.9199870607707836
Energy: 1.9192523764558675
Energy: 1.8839236691919525
Energy: 1.927357595386862
Energy: 1.9147553618919986
Energy: 1.9478939158114243
Energy: 1.9315004885578573
Energy: 1.9215110758916023
Energy: 1.9208433721908267
Energy: 1.8626515219799862
Energy: 1.8624885426621607
Energy: 1.9295355690884597
Energy: 1.857670791824496
Energy: 1.8632943917053677
Energy: 1.9292452924738779
Energy: 1.8036164257169833
Energy: 1.861434562221271
Energy: 1.927682801172209
Energy: 1.8670454041754567
Energy: 1.862343377869626
Energy: 1.8616605440405058
Energy: 1.918264024493469
Energy: 1.84776013098869
Energy: 1.8670986459774157
Energy: 1.9274553219585706
Energy: 1.9244229387104836
Energy: 1.8207611926705884
Energy: 1.8960939316504923
Energy: 1.9243878524054885
Energy: 1.8204812322647943
Energy: 1.846151060176695
Energy: 1.8457907348023135
Energy: 1.8784117854695432
Energy: 1.8686369280269506
Energy: 1.868248804590108
Energy: 1.8459701345396287
Energy: 1.8179441926137743
Energy: 1.8404962923821073
Energy: 1.8760111220724984
Energy: 1.789209343918074
Energy: 1.8192907910664433
Energy: 1.855223439195591
Energy: 1.8116445381391553
Energy: 1.8203299302786973
Energy: 1.8570866795214116
Energy: 1.8690272458472479
Energy: 1.8173568722158824
Energy: 1.8168005683326958
Energy: 1.8530552785009893
Energy: 1.8804314127701658
Energy: 1.7736790297651102
Energy: 1.8286156425824456
Energy: 1.8005521686417756
Energy: 1.8055282545688802
Energy: 1.82298556534186
Energy: 1.8284719995404322
Energy: 1.8004815456356569
Energy: 1.7839988437887297
Energy: 1.8281959938630397
Energy: 1.807451737244805
Energy: 1.783868090033995
Energy: 1.783926011455184
Energy: 1.8216244293744879
Energy: 1.807913528927777
Energy: 1.8360541833222808
Energy: 1.8335406110275696
Energy: 1.8039401247483184
Energy: 1.810953646509657
Energy: 1.8408615296080464
Energy: 1.8179855535529763
Energy: 1.8081962060172587
Energy: 1.786675229820302
Energy: 1.786368827746784
Energy: 1.7572404144283764
Energy: 1.8019538583276515
Energy: 1.829232434224977
Energy: 1.7862567340923805
Energy: 1.7600366882789242
Energy: 1.787073276689537
Energy: 1.7526833416691954
Energy: 1.7524286757598901
Energy: 1.758533622159653
Energy: 1.812445862823026
Energy: 1.751699202429244
Energy: 1.7554702455556295
Energy: 1.8299263164688462
Energy: 1.780837601834854
Energy: 1.7621415790026844
Energy: 1.789919133601025
Energy: 1.7986105737675036
Energy: 1.7863643507419884
Energy: 1.7619370626330928
Energy: 1.7491786574334252
Energy: 1.7387026073409841
Energy: 1.75734748827075
Energy: 1.7494489990088817
Energy: 1.7536035473786813
Energy: 1.7510997699626425
Energy: 1.7494153285005258
Energy: 1.7521828137263111
Energy: 1.746220822095157
Energy: 1.7561965723070845
Energy: 1.764938078058395
Energy: 1.7560275545656365
Energy: 1.7515536956789755
Energy: 1.7486001447719146
Energy: 1.7398927593340439
Energy: 1.769178503335561
Energy: 1.794160766439438
Energy: 1.735816799586334
Energy: 1.7344432128199934
Energy: 1.7661666186694336
Energy: 1.7751446572346183
Energy: 1.735028793814132
Energy: 1.7704105562854187
Energy: 1.8092134234256196
Energy: 1.7350764897999498
Energy: 1.7349608457963066
Energy: 1.7654842683965015
Energy: 1.7377283712287526
Energy: 1.7150826567540007
Energy: 1.7368036158593574
Energy: 1.7611855127887064
Energy: 1.7116954884078752
Energy: 1.712547373639658
Energy: 1.7320412034317312
Energy: 1.7546514001230333
Energy: 1.7691660661448112
Energy: 1.779221545514877
Energy: 1.7583875209810809
Energy: 1.7577165541728137
Energy: 1.7695120794228376
Energy: 1.7737341490230858
Energy: 1.7581952715509221
Energy: 1.7587676943400816
Energy: 1.7735487712316622
Energy: 1.7654295510507891
Energy: 1.7543329390491558
Energy: 1.7689356620914298
Energy: 1.7723772237109099
Energy: 1.7601777436730683
Energy: 1.7609927861917127
Energy: 1.7412733328461816
Energy: 1.7166498925078049
Energy: 1.7584708390376145
Energy: 1.7651843933913942
Energy: 1.7387729746252187
Energy: 1.7191476827403191
Energy: 1.8037153085466744
Energy: 1.7682478476814325
Energy: 1.7344475352899396
Energy: 1.7350450950666882
Energy: 1.76687835870669
Energy: 1.7595720659321739
Energy: 1.7350845601578009
Energy: 1.8076787048089302
Energy: 1.7673332376468802
Energy: 1.73496806143019
Energy: 1.7344593507196366
Energy: 1.7671970808620139
Energy: 1.770419400686067
Energy: 1.73553794343876
Energy: 1.748462872285115
Energy: 1.7458629565069443
Energy: 1.7496131453271222
Energy: 1.7506278719377406
Energy: 1.7605381315270334
Energy: 1.7460450106711147
Energy: 1.7487796062721959
Energy: 1.7541476387500725
Energy: 1.7501112039044389
Energy: 1.7450997635718513
Energy: 1.7611084761934932
Energy: 1.7635458353597813
Energy: 1.7422769533538371
Energy: 1.7497144423198179
Energy: 1.7663877632083924
Energy: 1.7798629116477458
Energy: 1.8036176706556217
Energy: 1.7606740506806067
Energy: 1.7600618997432746
Energy: 1.7776613186397177
Energy: 1.8319888548371441
Energy: 1.7561470135384878
Energy: 1.782878184680041
Energy: 1.794422375356796
Energy: 1.7559071263260766
Energy: 1.7537777061276991
Energy: 1.7850682513948788
Energy: 1.7969943259799548
Energy: 1.7561653181526593
Energy: 1.7833539198366088
Energy: 1.8120882256149136
Energy: 1.7561822992683278
Energy: 1.751723624751112
Energy: 1.7842999685566427
Energy: 1.7887406406750923
Energy: 1.8098620091984154
Energy: 1.8150679915812886
Energy: 1.8436973249477966
Energy: 1.8150123188584502
Energy: 1.800712286444746
Energy: 1.845184512779345
Energy: 1.8258326491786077
Energy: 1.8076465796427648
Energy: 1.7896698633316321
Energy: 1.7837978823076899
Energy: 1.8080565018248609
Energy: 1.8059735619161272
Energy: 1.7885038755187286
Energy: 1.7837094769950728
Energy: 1.8240049212290723
Energy: 1.8297020836605504
Energy: 1.8056187026347623
Energy: 1.850143630148862
Energy: 1.8768582965770573
Energy: 1.8330417651827133
Energy: 1.8059190388243611
Energy: 1.8507711364055046
Energy: 1.8525536334673498
Energy: 1.819538773714072
Energy: 1.8176712327565048
Energy: 1.8538699137826553
Energy: 1.855933991906882
Energy: 1.8188154267600776
Energy: 1.8109592723119892
Energy: 1.8549376696813165
Energy: 1.818611155017133
Energy: 1.8101467832778595
Energy: 1.8114073447092631
Energy: 1.8533280074913685
Energy: 1.8190663333868855
Energy: 1.807894032144264
Energy: 1.8670628378671705
Energy: 1.8492645682642332
Energy: 1.807377926112754
Energy: 1.9330876467380425
Energy: 1.8666159286411634
Energy: 1.8222454279082836
Energy: 1.9212373957383153
Energy: 1.8774056193122612
Energy: 1.851647134193034
Energy: 1.9165768279949928
Energy: 1.954907352675171
Energy: 1.877127240374113
Energy: 1.8478121444342044
Energy: 1.9289863760844457
Energy: 1.861893795821046
Energy: 1.8549976532173535
Energy: 1.9268850040991838
Energy: 1.8639701899210468
Energy: 1.8608256096656497
Energy: 1.840103564840407
Energy: 1.9291344227132872
Energy: 1.8474917745871546
Energy: 1.8828524063310406
Energy: 1.9295073701555983
Energy: 1.8630195131251848
Energy: 1.8539327869131312
Energy: 1.921261237593207
Energy: 1.9267484555371184
Energy: 1.9323689218170261
Energy: 1.9243594660416947
Energy: 1.9297146023505916
Energy: 1.9273487954809654
Energy: 1.9009365923155437
Energy: 1.9209261380320042
Energy: 1.919393803940231
Energy: 1.8617066629683168
Energy: 2.007107711556572
Energy: 1.9258320253091508
Energy: 1.9268875749863694
Energy: 1.8537630893560217
Energy: 2.0094588668068942
Energy: 1.9207877296349416
Energy: 1.9576991011129796
Energy: 1.9352077869290412
Energy: 1.9233565365592735
Energy: 1.8572277342278638
Energy: 1.8473716729797778
Energy: 2.0097016178293265
Energy: 1.919348460561943
Energy: 1.8843918098277488
Energy: 1.9269669630338238
Energy: 1.9260831891574324
Energy: 1.926790908814575
Energy: 1.9317082049122305
Energy: 1.9224968039658832
Energy: 1.9278719042655164
Energy: 1.9311454959490155
Energy: 1.9272048888720825
Energy: 1.9299643955814885
Energy: 1.9272774952094454
Energy: 1.9328638101015532
Energy: 1.9197925977559314
Energy: 2.0099807216041707
Energy: 1.8901751260757316
Energy: 1.8488952623184132
Energy: 1.9402763937944918
Energy: 1.893892778753432
Energy: 1.8546296314790578
Energy: 1.9234326968650273

minimum gb energy = 1.7116954884078752 eV
minimum distance =  2.47204926270415 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 2.06186304008579
Energy: 2.0637245628566023
Energy: 2.2094614789196383
Energy: 2.2085765562106694
Energy: 2.2206373149598044
Energy: 2.2105817539003145
Energy: 2.2095952349977344
Energy: 1.2008978207089045
Energy: 0.8634833621744759
Energy: 0.863149375721283
Energy: 0.8633155930483029
Energy: 0.8638484316861068
Energy: 0.8632591678566524
Energy: 0.8632701879959848
Energy: 0.8632252651768707
Energy: 0.8629032201858515
Energy: 0.8631841484205975
Energy: 0.863303416478948
Energy: 0.864844777454588
Energy: 0.8633216709844039
Energy: 0.8633732986390529
Energy: 1.767216668147471
Energy: 1.7675312180699543
Energy: 2.2095734098480686
Energy: 2.209061976189812
Energy: 2.208518421433723
Energy: 2.207856135193521
Energy: 2.2066443021483586
Energy: 1.766318854189992
Energy: 1.766028719768515
Energy: 1.765269716855586
Energy: 1.7687285131292674
Energy: 2.209452387297343
Energy: 1.7663510578071369
Energy: 1.765149836331341
Energy: 0.8632544875970106
Energy: 0.8632797934552382
Energy: 0.863387083904425
Energy: 0.8638495342126996
Energy: 0.8637900572793683
Energy: 0.8636547736196628
Energy: 0.8632370354036506
Energy: 1.7664407007540255
Energy: 1.7658077472316926
Energy: 2.225180993029531
Energy: 2.2093753001859473
Energy: 2.2087711630931977
Energy: 2.2089674115411078
Energy: 1.7654988663563203
Energy: 1.767188093475363
Energy: 1.765935200697845
Energy: 2.208274623237268
Energy: 2.2088377646924457
Energy: 2.2091528204126507
Energy: 2.2108667403773423
Energy: 1.7660571357407573
Energy: 0.8632980176038518
Energy: 0.8633469713093288
Energy: 0.8632923943644051
Energy: 0.8637196921821525
Energy: 0.8637013449245644
Energy: 0.8635582276703933
Energy: 0.8633725712681739
Energy: 1.7659310157678272
Energy: 1.767516426497877
Energy: 1.7702970269686418
Energy: 1.7682974351262184
Energy: 1.7668102875305254
Energy: 1.7655499234841816
Energy: 1.7698956431377437
Energy: 2.061457398411632
Energy: 1.7670932424067545
Energy: 2.2070083363722044
Energy: 2.2091646938869633
Energy: 2.2257880604516562
Energy: 2.2095417234349015
Energy: 2.211926996606086
Energy: 0.863592916439757
Energy: 0.8633320379270899
Energy: 0.8633814875183328
Energy: 0.8636057112821002
Energy: 0.8638866478788717
Energy: 0.8632938276082621
Energy: 0.863139051802728
Energy: 0.8634164685834212
Energy: 0.8631801436450821
Energy: 0.8633138649368866
Energy: 0.8636176019086105
Energy: 0.864888348163039
Energy: 0.8635363550681743
Energy: 0.8631979207109544
Energy: 2.0599704733894324
Energy: 1.7672059714756612
Energy: 2.210101894118807
Energy: 2.208848681719772
Energy: 2.219028549913758
Energy: 2.2097612753753846
Energy: 2.208510379513024
Energy: 1.7659232456621918
Energy: 1.7682231793727865
Energy: 1.7649613678849745
Energy: 0.8634403141609396
Energy: 0.8641031593324844
Energy: 0.8631654469744737
Energy: 1.76820092608245
Energy: 0.8631829653733968
Energy: 0.8633435185560919
Energy: 0.8633277893793913
Energy: 0.8635198881014094
Energy: 0.8635561548410275
Energy: 0.8633040096620513
Energy: 0.8632650927513608
Energy: 1.7660832640906052
Energy: 1.7670338802241383
Energy: 2.2106414243310994
Energy: 2.2091345817485912
Energy: 2.208384960499887
Energy: 2.208461146610083
Energy: 2.2075927290822985
Energy: 1.7667694037057364
Energy: 1.7658823426995953
Energy: 1.7654131411326255
Energy: 2.208909110387391
Energy: 2.20992202651036
Energy: 1.7661764528374095
Energy: 1.7680871194714358
Energy: 0.8630384559958394
Energy: 0.8634086961148251
Energy: 0.8634151484999514
Energy: 0.8641375636957543
Energy: 0.8637321885357672
Energy: 0.8636095070293156
Energy: 0.8631668733666521
Energy: 1.7664897626455536
Energy: 1.7652737788187027
Energy: 1.7663837643245548
Energy: 2.2093056147491423
Energy: 2.208481196148621
Energy: 2.2086645312845645
Energy: 1.7652745341401992

minimum gb energy = 0.8629032201858515 eV
minimum distance =  2.61910847595451 Angstroms
sigma value = 23