Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_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=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.021308364644041948
Energy: 0.733196986242573
Energy: 0.021308364643403806
Energy: 0.7331969862429109
Energy: 0.021308364643403806
Energy: 0.7331969862429109
Energy: 0.021308364643403806
Energy: 0.022071303625426017
Energy: 0.8266962240350796
Energy: 0.022071303625426017
Energy: 0.8266962240353799
Energy: 0.022071303625426017
Energy: 0.8266962240367313
Energy: 0.022071303625426017
Energy: 1.029340353983641
Energy: 0.9500225414435925
Energy: 1.029340353983003
Energy: 0.9500225414435925
Energy: 1.029340353982665
Energy: 0.9500225414432547
Energy: 1.029340353983979
Energy: 0.022071303625426017
Energy: 0.8266962240363933
Energy: 0.022071303625426017
Energy: 0.8266962240363933
Energy: 0.022071303625125716
Energy: 0.8266962240360555
Energy: 0.022071303625125716
Energy: 0.021308364642390294
Energy: 0.7331969862432112
Energy: 0.021308364642728127
Energy: 0.7331969862432112
Energy: 0.021308364643065972
Energy: 0.7331969862432112
Energy: 0.021308364642390294
Energy: 0.022071303625426017
Energy: 0.8266962240353799
Energy: 0.022071303625763854
Energy: 0.8266962240350796
Energy: 0.022071303625426017
Energy: 0.8266962240357177
Energy: 0.022071303625426017

minimum gb energy = 0.021308364642390294 eV
minimum distance =  2.72184825077403 Angstroms
sigma value = 5


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

Energy: 2.2238855014043786
Energy: 2.6843260597359846
Energy: 2.2238855014084145
Energy: 2.6843260597359846
Energy: 2.2238855014043786
Energy: 2.6843260597359846
Energy: 2.2238855014084145
Energy: 2.2027985201084963
Energy: 2.2920355238382766
Energy: 2.2027985201084963
Energy: 2.2920355238382766
Energy: 2.2027985201084963
Energy: 2.2920355238382766
Energy: 2.2027985201125317
Energy: 2.0449046051795965
Energy: 2.0594548336259306
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Energy: 2.0594548336259306
Energy: 2.0449046051836324
Energy: 2.0594548336259306
Energy: 2.0449046051795965
Energy: 2.068560230869811
Energy: 2.188495068489485
Energy: 2.068560230869811
Energy: 2.188495068485449
Energy: 2.068560230869811
Energy: 2.188495068485449
Energy: 2.068560230869811
Energy: 2.0310004157097032
Energy: 2.1307740030678723
Energy: 2.0310004157097032
Energy: 2.1307740030678723
Energy: 2.0310004157137387
Energy: 2.1307740030678723
Energy: 2.0310004157097032
Energy: 2.3888255362746076
Energy: 2.3161084653760873
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Energy: 2.3161084653760873
Energy: 2.3888255362746076
Energy: 2.3161084653760873
Energy: 2.3888255362746076
Energy: 2.183819757815862
Energy: 2.1873156473489908
Energy: 2.183819757815862
Energy: 2.1873156473489908
Energy: 2.183819757815862
Energy: 2.1873156473489908
Energy: 2.183819757815862
Energy: 2.1382953692646867
Energy: 2.233044832049559
Energy: 2.1382953692646867
Energy: 2.233044832049559
Energy: 2.1382953692566153
Energy: 2.233044832049559
Energy: 2.1382953692566153
Energy: 2.0534381076007358
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Energy: 2.232788762401509
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Energy: 2.0575000277652156
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Energy: 2.415988319980834
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Energy: 2.089691518386412
Energy: 2.195358369339425
Energy: 2.199255925961871
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Energy: 2.199255925961871
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Energy: 2.199255925961871
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Energy: 2.026625334327233
Energy: 2.147416665563502
Energy: 2.026625334331269
Energy: 2.147416665563502
Energy: 2.026625334327233
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Energy: 2.026625334327233
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Energy: 2.0823409709678775
Energy: 2.2197684014383876
Energy: 2.082340970963842
Energy: 2.2197684014383876
Energy: 2.0823409709678775
Energy: 2.01917785609374
Energy: 2.1295887250013155
Energy: 2.0191778560977753
Energy: 2.1295887250013155
Energy: 2.01917785609374
Energy: 2.1295887250013155
Energy: 2.0191778560977753
Energy: 2.290889078512678
Energy: 2.396549553628983
Energy: 2.290889078512678
Energy: 2.396549553628983
Energy: 2.290889078512678
Energy: 2.396549553628983
Energy: 2.290889078516714
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Energy: 2.1020558340379303
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Energy: 2.1020558340379303
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Energy: 2.204526027061681
Energy: 2.1827648146407355
Energy: 2.204526027061681
Energy: 2.1827648146366996
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Energy: 2.1552212617356687
Energy: 2.3173654609843886
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Energy: 2.3173654609843886
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Energy: 2.1045017650304225
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Energy: 2.1045017650304225
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Energy: 2.201337524550301
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Energy: 2.201337524550301
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Energy: 2.180627937560749
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Energy: 2.1806279375567135
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Energy: 2.180627937560749
Energy: 2.141196134127634
Energy: 2.263739191452326
Energy: 2.4155962407128624
Energy: 2.263739191452326
Energy: 2.4155962407128624
Energy: 2.263739191452326
Energy: 2.4155962407128624
Energy: 2.263739191452326
Energy: 1.9804050840497138
Energy: 2.118261052987851
Energy: 1.9804050840497138
Energy: 2.1182610529838155
Energy: 1.9804050840497138
Energy: 2.118261052987851
Energy: 1.9804050840497138
Energy: 2.3380620458545494
Energy: 2.228225511880961
Energy: 2.3380620458545494
Energy: 2.228225511880961
Energy: 2.3380620458545494
Energy: 2.228225511880961
Energy: 2.3380620458545494
Energy: 2.0710910878693287
Energy: 2.0596272308604378
Energy: 2.0710910878693287
Energy: 2.0596272308604378
Energy: 2.0710910878652933
Energy: 2.0596272308604378
Energy: 2.0710910878652933
Energy: 2.192241083797388
Energy: 2.4972857713303025
Energy: 2.192241083797388
Energy: 2.4972857713303025
Energy: 2.1922410838014232
Energy: 2.4972857713303025
Energy: 2.192241083797388
Energy: 2.3889017035713147
Energy: 2.5755134385287786
Energy: 2.3889017035713147
Energy: 2.5755134385287786
Energy: 2.3889017035713147
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Energy: 2.1842231930873566
Energy: 2.1021411416853457
Energy: 2.1842231930873566
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Energy: 2.1842231930873566
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Energy: 2.1842231930873566
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Energy: 2.0407754115407233
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Energy: 2.0407754115407233
Energy: 2.0727463727629067
Energy: 2.0407754115407233
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Energy: 1.962455326104625
Energy: 2.2094536980613566
Energy: 1.9624553261086606
Energy: 2.2094536980613566
Energy: 1.9624553261086606
Energy: 2.2094536980613566
Energy: 1.962455326104625
Energy: 2.0754212446655242
Energy: 2.1390626059871014
Energy: 2.0754212446655242
Energy: 2.1390626059871014
Energy: 2.0754212446655242
Energy: 2.1390626059871014
Energy: 2.0754212446655242
Energy: 2.1464401857260196
Energy: 2.207883521626182
Energy: 2.1464401857260196
Energy: 2.207883521626182
Energy: 2.1464401857260196
Energy: 2.207883521626182
Energy: 2.1464401857260196
Energy: 2.3464764530908235
Energy: 2.3806170163901204
Energy: 2.3464764530908235
Energy: 2.3806170163901204
Energy: 2.3464764530867877
Energy: 2.3806170163901204
Energy: 2.3464764530908235
Energy: 2.0619692050851977
Energy: 2.2107303679999615
Energy: 2.0619692050851977
Energy: 2.2107303679999615
Energy: 2.0619692050851977
Energy: 2.2107303679999615
Energy: 2.0619692050851977
Energy: 2.1298008741852423
Energy: 2.2917762066601077
Energy: 2.129800874189278
Energy: 2.2917762066560714
Energy: 2.1298008741852423
Energy: 2.2917762066560714
Energy: 2.1298008741852423
Energy: 2.0624555507016877
Energy: 2.029164756036644
Energy: 2.0624555507016877
Energy: 2.0291647560326087
Energy: 2.0624555507016877
Energy: 2.0291647560326087
Energy: 2.0624555507016877
Energy: 2.264309341385579
Energy: 2.19020725365895
Energy: 2.2643093413815434
Energy: 2.19020725365895
Energy: 2.264309341385579
Energy: 2.19020725365895
Energy: 2.264309341385579
Energy: 2.0951765464917114
Energy: 2.4110834069680185
Energy: 2.0951765464917114
Energy: 2.4110834069680185
Energy: 2.0951765464917114
Energy: 2.4110834069680185
Energy: 2.0951765464917114
Energy: 2.153171628619741
Energy: 2.2234860176448903
Energy: 2.153171628619741
Energy: 2.2234860176448903
Energy: 2.153171628619741
Energy: 2.2234860176489257
Energy: 2.153171628619741
Energy: 2.0268365899249803
Energy: 2.1287576535023276
Energy: 2.0268365899249803
Energy: 2.1287576535023276
Energy: 2.0268365899249803
Energy: 2.1287576535023276
Energy: 2.0268365899249803
Energy: 2.082662197679921
Energy: 2.1230296930228483
Energy: 2.082662197679921
Energy: 2.1230296930228483
Energy: 2.082662197679921
Energy: 2.1230296930228483
Energy: 2.082662197679921
Energy: 2.0823907278059406
Energy: 2.1420054221182268
Energy: 2.0823907278059406
Energy: 2.1420054221182268
Energy: 2.0823907278059406
Energy: 2.1420054221222626
Energy: 2.0823907278059406
Energy: 2.0313446779234563
Energy: 2.127600195841888
Energy: 2.0313446779234563
Energy: 2.127600195841888
Energy: 2.0313446779234563
Energy: 2.127600195841888
Energy: 2.0313446779234563

minimum gb energy = 1.962455326104625 eV
minimum distance =  2.48733021344805 Angstroms
sigma value = 401


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

Energy: 2.365840998451055
Energy: 2.339281123915071
Energy: 2.365840998451971
Energy: 2.3392811239164866
Energy: 2.3658409984515543
Energy: 2.339281123915987
Energy: 2.365840998451055
Energy: 2.0347467818973883
Energy: 2.378127256590288
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Energy: 2.0347467818946394
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Energy: 2.3360956358923053
Energy: 2.026249349092309
Energy: 2.083989708583348
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Energy: 2.1973455415431284
Energy: 2.28877719402634
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Energy: 2.090009882343357
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Energy: 2.090009882343357
Energy: 2.1952301391425366
Energy: 2.0900098823429403
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Energy: 2.085577439154261
Energy: 2.1346801258634973
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Energy: 2.134680125863914
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Energy: 2.237321752844054
Energy: 2.385999078186888
Energy: 2.2373217528431377
Energy: 2.3859990781873877
Energy: 2.237321752844054
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Energy: 2.2373217528436378
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Energy: 2.3658409984506386
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Energy: 2.3658409984506386
Energy: 2.3392811239164866
Energy: 2.3658409984497224
Energy: 2.0347467818937233
Energy: 2.37812725659212
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Energy: 2.034746781895556
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Energy: 2.0347467818918914
Energy: 2.1567403509592884
Energy: 2.1861327559874413
Energy: 2.1567403509592884
Energy: 2.1861327559865247
Energy: 2.1567403509592884
Energy: 2.1861327559874413
Energy: 2.1567403509592884
Energy: 2.0262493490913926
Energy: 2.3360956358927214
Energy: 2.026249349092309
Energy: 2.336095635893221
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Energy: 2.336095635893221
Energy: 2.026249349092309
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Energy: 2.301131254175034
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Energy: 2.083989708583348
Energy: 2.1866851688219135
Energy: 2.2833527260107194
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Energy: 2.2833527260107194
Energy: 2.186685168820997
Energy: 2.2833527260102193
Energy: 2.186685168821414
Energy: 2.1973455415431284
Energy: 2.288777194023175
Energy: 2.197345541544544
Energy: 2.2887771940254242
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Energy: 2.288777194023175
Energy: 2.1973455415431284
Energy: 2.2269879703640654
Energy: 2.3941950465518977
Energy: 2.2269879703640654
Energy: 2.3941950465523147
Energy: 2.226987970363149
Energy: 2.3941950465518977
Energy: 2.226987970362733
Energy: 2.2304553150750848
Energy: 2.3219620570090447
Energy: 2.230455315075585
Energy: 2.3219620570086286
Energy: 2.230455315076001
Energy: 2.3219620570095447
Energy: 2.230455315076001
Energy: 2.1643193517126362
Energy: 2.1679488720036257
Energy: 2.164319351712136
Energy: 2.1679488720036257
Energy: 2.164319351712136
Energy: 2.167948872004042
Energy: 2.16431935171172
Energy: 2.090009882343357
Energy: 2.19523013914162
Energy: 2.090009882342024
Energy: 2.195230139141204
Energy: 2.090009882343856
Energy: 2.195230139141204
Energy: 2.090009882343357
Energy: 2.0855774391551773
Energy: 2.134680125864413
Energy: 2.0855774391560935
Energy: 2.134680125864413
Energy: 2.0855774391551773
Energy: 2.13468012586483
Energy: 2.0855774391551773
Energy: 2.2373217528431377
Energy: 2.385999078186472
Energy: 2.2373217528431377
Energy: 2.385999078185972
Energy: 2.2373217528431377
Energy: 2.385999078184139
Energy: 2.2373217528431377
Energy: 2.3658409984492224
Energy: 2.3392811239164866
Energy: 2.3658409984492224
Energy: 2.3392811239169027
Energy: 2.3658409984492224
Energy: 2.339281123915987
Energy: 2.365840998448306
Energy: 2.0347467818937233
Energy: 2.37812725659262
Energy: 2.0347467818923075
Energy: 2.3781272565962848
Energy: 2.0347467818937233
Energy: 2.3781272565939524
Energy: 2.0347467818877267

minimum gb energy = 2.0262493490913926 eV
minimum distance =  2.49022034825807 Angstroms
sigma value = 311


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

Energy: 2.306121501356507
Energy: 2.361233354965277
Energy: 2.2182070103664735
Energy: 2.468810957452921
Energy: 2.306121501356507
Energy: 2.361233354965277
Energy: 2.2182070103659446
Energy: 2.1080686874080996
Energy: 2.028655474390698
Energy: 2.1118152892381437
Energy: 2.1098022729212826
Energy: 2.108068687408628
Energy: 2.0286554743912264
Energy: 2.1118152892381437
Energy: 2.1061100885720467
Energy: 2.229949489776996
Energy: 2.108920951106737
Energy: 2.243770995940005
Energy: 2.106110088572576
Energy: 2.229949489775938
Energy: 2.1089209511062075
Energy: 2.238482178928626
Energy: 2.2924506680077847
Energy: 2.208349564123913
Energy: 2.2924506680083137
Energy: 2.238482178928626
Energy: 2.2924506680077847
Energy: 2.208349564124442
Energy: 2.374470344477231
Energy: 2.2432833420444465
Energy: 2.360341106838951
Energy: 2.2432833420449754
Energy: 2.374470344477231
Energy: 2.2432833420449754
Energy: 2.360341106838951
Energy: 2.0315172355462416
Energy: 2.32318378985123
Energy: 2.0315172355467706
Energy: 2.3232635377840953
Energy: 2.0315172355467706
Energy: 2.323183789850701
Energy: 2.0315172355462416
Energy: 2.11950453197136
Energy: 2.333038670608809
Energy: 2.119504531970302
Energy: 2.3300865346107726
Energy: 2.119504531970302
Energy: 2.33303867060828
Energy: 2.1195045319708306
Energy: 2.448859093619719
Energy: 2.3305289353726772
Energy: 2.4488117772351523
Energy: 2.3303578671438117
Energy: 2.448859093620248
Energy: 2.3305289353726772
Energy: 2.4488117772351523
Energy: 2.4270463382759044
Energy: 2.362579158942281
Energy: 2.4270856318892053
Energy: 2.362562086980037
Energy: 2.4270463382753755
Energy: 2.36257915894281
Energy: 2.427085631889734
Energy: 2.0712548034423497
Energy: 2.2801381816197432
Energy: 2.071293927478662
Energy: 2.2947229934239
Energy: 2.0712548034428786
Energy: 2.2801381816202726
Energy: 2.071293927478133
Energy: 2.029535795221516
Energy: 2.3144017438376125
Energy: 2.029581625803361
Energy: 2.3061681731795414
Energy: 2.029535795221516
Energy: 2.314401743837083
Energy: 2.02958162580389
Energy: 2.2534900870665866
Energy: 2.30611974085261
Energy: 2.2534900870671155
Energy: 2.3060115424697027
Energy: 2.2534900870665866
Energy: 2.306119740852081
Energy: 2.2534900870665866
Energy: 2.2596254401038656
Energy: 2.2551003881783407
Energy: 2.2596254401038656
Energy: 2.2551003881783407
Energy: 2.259625440103337
Energy: 2.2551003881788696
Energy: 2.2596254401038656
Energy: 2.0548317904254505
Energy: 2.1811976376827364
Energy: 2.0548317904254505
Energy: 2.1811976376832654
Energy: 2.0548317904249216
Energy: 2.1811976376827364
Energy: 2.0548317904249216
Energy: 2.30048239978837
Energy: 2.3218958254946247
Energy: 2.2902772165504883
Energy: 2.1919209678565412
Energy: 2.30048239978837
Energy: 2.321895825495153
Energy: 2.2902772165499594
Energy: 2.162529740397231
Energy: 2.317123551598199
Energy: 2.2330787331439317
Energy: 2.317123551598728
Energy: 2.162529740397231
Energy: 2.317123551598199
Energy: 2.2330787331439317
Energy: 2.1470802875743087
Energy: 2.086581197363534
Energy: 2.105815293671496
Energy: 2.088401258034797
Energy: 2.1470802875743087
Energy: 2.086581197363534
Energy: 2.105815293671496
Energy: 2.11017925357356
Energy: 2.1258373116861793
Energy: 2.113920390782801
Energy: 2.1184049528727025
Energy: 2.1101792535740884
Energy: 2.1258373116861793
Energy: 2.113920390782272
Energy: 2.301580907604406
Energy: 2.3204640196876922
Energy: 2.301383797887537
Energy: 2.387112041119091
Energy: 2.301580907603877
Energy: 2.3204640196876922
Energy: 2.3013837978880654
Energy: 2.331353926384462
Energy: 2.42679667580156
Energy: 2.3269762207745
Energy: 2.3972956130595398
Energy: 2.3313539263839327
Energy: 2.4267966758010306
Energy: 2.3269762207745
Energy: 2.1047162324405635
Energy: 2.058505613441875
Energy: 2.1047162324400346
Energy: 2.058505613441346
Energy: 2.1047162324400346
Energy: 2.058505613441346
Energy: 2.1047162324400346
Energy: 2.1596025867948896
Energy: 2.0985296835506695
Energy: 2.1596025867943607
Energy: 2.30661632674799
Energy: 2.1596025867943607
Energy: 2.098529683550141
Energy: 2.1596025867943607
Energy: 2.497994687513023
Energy: 2.365486721844631
Energy: 2.4411640689191807
Energy: 2.4670442286827594
Energy: 2.497994687513023
Energy: 2.365486721844631
Energy: 2.44116406891971
Energy: 2.402871288580391
Energy: 2.3546477190132906
Energy: 2.313452606891155
Energy: 2.4720626005301667
Energy: 2.402871288580391
Energy: 2.35464771901382
Energy: 2.3134526068906265
Energy: 2.1025569314722206
Energy: 2.199474280967636
Energy: 2.100661683069347
Energy: 2.215207367177426
Energy: 2.1025569314722206
Energy: 2.199474280967636
Energy: 2.1006616830698754
Energy: 2.3334542208403675
Energy: 2.1667520400797082
Energy: 2.3262661566540297
Energy: 2.352810313900599
Energy: 2.333454220840897
Energy: 2.166752040082353
Energy: 2.3262661566540297
Energy: 2.4086502443875784
Energy: 2.2155112818163603
Energy: 2.343693608848364
Energy: 2.2155112818163603
Energy: 2.342340644840073
Energy: 2.2155112818163603
Energy: 2.343693608848364
Energy: 2.225265774682454
Energy: 2.3908330223280028
Energy: 2.225265774682454
Energy: 2.390885599782849
Energy: 2.225265774681925
Energy: 2.3908330223285312
Energy: 2.225265774682454
Energy: 2.0643000737771495
Energy: 2.08764223908921
Energy: 2.0643000737771495
Energy: 2.08764223908921
Energy: 2.0643000737776784
Energy: 2.087642239088152
Energy: 2.0643000737771495
Energy: 2.3552395205323338
Energy: 2.261522423998874
Energy: 2.3529507611598004
Energy: 2.3124026550370647
Energy: 2.355239520531805
Energy: 2.261522423998874
Energy: 2.3529507611598004
Energy: 2.251267098390989
Energy: 2.3146876277712205
Energy: 2.368950322501352
Energy: 2.314706194711607
Energy: 2.3735355745177347
Energy: 2.3146876277712205
Energy: 2.368950322501352
Energy: 2.0631393007599277
Energy: 2.261785793761919
Energy: 2.063104175118413
Energy: 2.2427722222072357
Energy: 2.0631393007604566
Energy: 2.261785793762448
Energy: 2.063104175118413
Energy: 2.070405153307929
Energy: 2.1213890656839416
Energy: 2.070387801010529
Energy: 2.1137811587003967
Energy: 2.0704051533084584
Energy: 2.121389065684471
Energy: 2.070387801010529
Energy: 2.3248059832068546
Energy: 2.3207932188314664
Energy: 2.3248059832073835
Energy: 2.321234137143349
Energy: 2.3248059832073835
Energy: 2.3207932188319953
Energy: 2.3248059832073835
Energy: 2.2921506092897608
Energy: 2.401419721017189
Energy: 2.2973349692661613
Energy: 2.4166381319455565
Energy: 2.2921506092897608
Energy: 2.401419721017189
Energy: 2.297334969265632
Energy: 2.066574216427241
Energy: 2.158198315840219
Energy: 2.0665742164267127
Energy: 2.158198315840219
Energy: 2.0665742164267127
Energy: 2.158198315840219
Energy: 2.066574216427241

minimum gb energy = 2.028655474390698 eV
minimum distance =  2.4565776086722 Angstroms
sigma value = 39


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

Energy: 2.124342677736488
Energy: 2.2453915751805105
Energy: 2.12434267773524
Energy: 2.245391575179886
Energy: 2.1243426777358643
Energy: 2.2453915751805105
Energy: 2.1243426777358643
Energy: 2.1733084068877115
Energy: 1.8656060793674658
Energy: 2.173308406888336
Energy: 1.86560607936809
Energy: 2.17330840688896
Energy: 1.86560607936809
Energy: 2.173308406888336
Energy: 2.089708374394328
Energy: 1.9731085018735939
Energy: 2.089708374393704
Energy: 1.9731085018748422
Energy: 2.0897083743930795
Energy: 1.9731085018760908
Energy: 2.089708374392455
Energy: 2.38493015059539
Energy: 1.9604383249935429
Energy: 2.384930150593517
Energy: 1.9604383249935429
Energy: 2.3849301505947658
Energy: 1.9604383249929185
Energy: 2.3849301505941414
Energy: 2.134090549949898
Energy: 1.8657680547486823
Energy: 2.134090549949274
Energy: 1.8657680547486823
Energy: 2.134090549949274
Energy: 1.8657680547486823
Energy: 2.134090549949274
Energy: 2.210566678139727
Energy: 2.1171290904178472
Energy: 2.2105666781391036
Energy: 2.1171290904184716
Energy: 2.210566678139727
Energy: 2.1171290904178472
Energy: 2.2105666781391036
Energy: 2.3130344823742304
Energy: 2.1025508368076435
Energy: 2.3130344823742304
Energy: 2.1025508368076435
Energy: 2.3130344823742304
Energy: 2.1025508368076435
Energy: 2.3130344823742304
Energy: 2.21603029417483
Energy: 2.141330082965312
Energy: 2.2160302942709107
Energy: 2.141330082964063
Energy: 2.2160302941317562
Energy: 2.141330082964063
Energy: 2.2160302941785757
Energy: 2.310173470753534
Energy: 2.1441095546869104
Energy: 2.3101734707497883
Energy: 2.1441095546869104
Energy: 2.3101734707497883
Energy: 2.1441095546869104
Energy: 2.3101734707479156
Energy: 2.081587364611039
Energy: 2.288757720706163
Energy: 2.081587364611039
Energy: 2.288757720706163
Energy: 2.081587364611039
Energy: 2.288757720706163
Energy: 2.0815873646104146
Energy: 2.199827982269555
Energy: 2.2294732577516596
Energy: 2.199827982269555
Energy: 2.2294732577516596
Energy: 2.1998279822689306
Energy: 2.2294732577516596
Energy: 2.199827982270179
Energy: 2.0895425611488427
Energy: 1.9191578522851982
Energy: 2.0895425611482183
Energy: 1.9191578522851982
Energy: 2.0895425611488427
Energy: 1.9191578522851982
Energy: 2.089542561149467
Energy: 2.4565497035236845
Energy: 1.9442006608701472
Energy: 2.4565497035236845
Energy: 1.9442006608707716
Energy: 2.4565497035243093
Energy: 1.9442006608695233
Energy: 2.4565497035230606
Energy: 2.1515441622706866
Energy: 1.9234971043160425
Energy: 2.1515441622725593
Energy: 1.9234971043160425
Energy: 2.1515441622700617
Energy: 1.9234971043160425
Energy: 2.1515441622694373
Energy: 2.271607003449751
Energy: 2.0484767498560306
Energy: 2.271607003449751
Energy: 2.048476749856655
Energy: 2.2716070034491267
Energy: 2.048476749856655
Energy: 2.2716070034491267
Energy: 2.04574700136818
Energy: 2.0338540282756026
Energy: 2.045747001366932
Energy: 2.0338540282762265
Energy: 2.045747001367556
Energy: 2.0338540282762265
Energy: 2.04574700136818
Energy: 2.3302297924149027
Energy: 2.112622192203703
Energy: 2.330229792416151
Energy: 2.1126221922043276
Energy: 2.3302297924149027
Energy: 2.112622192203703
Energy: 2.3302297924155266
Energy: 2.2884012946978283
Energy: 2.172197864319979
Energy: 2.2884012947009498
Energy: 2.172197864319979
Energy: 2.2884012947003254
Energy: 2.1721978643193545
Energy: 2.2884012947009498
Energy: 2.185105703542263
Energy: 2.1314262365084375
Energy: 2.1851057035435115
Energy: 2.131426236509062
Energy: 2.185105703542887
Energy: 2.131426236509062
Energy: 2.185105703542263
Energy: 2.0885940805344063
Energy: 2.2704561286438545
Energy: 2.0885940805362795
Energy: 2.27045612864323
Energy: 2.088594080533158
Energy: 2.2704561286438545
Energy: 2.088594080535655
Energy: 2.233293530021377
Energy: 1.8658990812646117
Energy: 2.233293530021377
Energy: 1.8658990812639877
Energy: 2.233293530022001
Energy: 1.8658990812639877
Energy: 2.233293530021377
Energy: 2.27441087779947
Energy: 1.9361137177281862
Energy: 2.2744108778000944
Energy: 1.9361137177275622
Energy: 2.274410877801343
Energy: 1.9361137177288106
Energy: 2.2744108778000944
Energy: 2.2119986633967423
Energy: 1.9737639641574347
Energy: 2.2119986633948696
Energy: 1.9737639641586833
Energy: 2.2119986633954936
Energy: 1.9737639641574347
Energy: 2.2119986633948696
Energy: 2.1590320087957946
Energy: 1.9754422702642096
Energy: 2.159032008796419
Energy: 1.9754422702648338
Energy: 2.159032008796419
Energy: 1.9754422702629608
Energy: 2.159032008796419
Energy: 2.2210264391843104
Energy: 2.097565289377352
Energy: 2.221026439183686
Energy: 2.097565289377352
Energy: 2.221026439183686
Energy: 2.097565289377352
Energy: 2.221026439183686
Energy: 2.071948621496265
Energy: 2.1208591997349746
Energy: 2.071948621496265
Energy: 2.12085919973435
Energy: 2.071948621496265
Energy: 2.1208591997349746
Energy: 2.0719486214956406
Energy: 2.2073647154964413
Energy: 2.197106849720191
Energy: 2.207364715495817
Energy: 2.1971068497208153
Energy: 2.2073647154964413
Energy: 2.1971068497208153
Energy: 2.2073647154964413
Energy: 2.149612244840778
Energy: 2.196439760414447
Energy: 2.149612244840778
Energy: 2.1964397604163195
Energy: 2.149612244840778
Energy: 2.196439760415695
Energy: 2.149612244840778
Energy: 2.124342677737113
Energy: 2.245391575179886
Energy: 2.124342677736488
Energy: 2.2453915751792617
Energy: 2.1243426777377374
Energy: 2.2453915751792617
Energy: 2.124342677737113
Energy: 2.1733084068864628
Energy: 1.865606079374957
Energy: 2.173308406887087
Energy: 1.8656060793699631
Energy: 2.173308406887087
Energy: 1.8656060793718359
Energy: 2.1733084068864628

minimum gb energy = 1.8656060793674658 eV
minimum distance =  2.49475725825381 Angstroms
sigma value = 21


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

Energy: 2.0266158572892214
Energy: 2.280475240562269
Energy: 2.026615857289979
Energy: 2.280475240562269
Energy: 2.0266158572892214
Energy: 2.280475240562269
Energy: 2.0266158572892214
Energy: 1.9993324731926143
Energy: 2.0513792183034396
Energy: 1.9993324731918567
Energy: 2.0513792183034396
Energy: 1.9993324731918567
Energy: 2.0513792183034396
Energy: 1.9993324731926143
Energy: 2.1964457231346066
Energy: 2.5993884260935136
Energy: 2.196445723133091
Energy: 2.5993884260927556
Energy: 2.1964457231338486
Energy: 2.5993884260927556
Energy: 2.196445723133091
Energy: 2.0043964338411207
Energy: 2.10442056500438
Energy: 2.004396433840363
Energy: 2.1044205650051375
Energy: 2.004396433840363
Energy: 2.1044205650051375
Energy: 2.0043964338411207
Energy: 1.8883017525781536
Energy: 2.0910472123719304
Energy: 1.8883017525781536
Energy: 2.0910472123726884
Energy: 1.8883017525781536
Energy: 2.0910472123711727
Energy: 1.8883017525781536
Energy: 1.9974753674561998
Energy: 2.0254750696128245
Energy: 1.9974753674569579
Energy: 2.0254750696120665
Energy: 1.9974753674569579
Energy: 2.0254750696120665
Energy: 1.9974753674569579
Energy: 1.9444151175644322
Energy: 2.498007753218035
Energy: 1.9444151175644322
Energy: 2.498007753218035
Energy: 1.9444151175644322
Energy: 2.4980077532187925
Energy: 1.9444151175644322
Energy: 1.925075679686481
Energy: 1.9446152930483105
Energy: 1.925075679686481
Energy: 1.9446152930483105
Energy: 1.925075679686481
Energy: 1.9446152930483105
Energy: 1.9250756796879966
Energy: 2.0082863953313934
Energy: 1.9529990803696233
Energy: 2.0082863953313934
Energy: 1.9529990803696233
Energy: 2.0082863953313934
Energy: 1.9529990803696233
Energy: 2.0082863953313934
Energy: 1.8443736403139115
Energy: 2.245626048583722
Energy: 1.8443736403146693
Energy: 2.245626048583722
Energy: 1.8443736403139115
Energy: 2.245626048583722
Energy: 1.8443736403139115
Energy: 1.7624407878024955
Energy: 2.0813291074514235
Energy: 1.7624407878024955
Energy: 2.0813291074514235
Energy: 1.7624407878024955
Energy: 2.0813291074514235
Energy: 1.7624407878024955
Energy: 1.863143048438498
Energy: 2.004564649525153
Energy: 1.863143048438498
Energy: 2.004564649525153
Energy: 1.863143048438498
Energy: 2.0045646495243954
Energy: 1.8631430484392562
Energy: 1.928746619774942
Energy: 1.8904768540064927
Energy: 1.9287466197757
Energy: 1.8904768540049772
Energy: 1.9287466197757
Energy: 1.8904768540064927
Energy: 1.9287466197757
Energy: 2.1143013019171426
Energy: 2.447507878658173
Energy: 2.1143013019171426
Energy: 2.447507878658173
Energy: 2.1143013019171426
Energy: 2.447507878658173
Energy: 2.1143013019171426
Energy: 1.9662309622992549
Energy: 2.001737887209682
Energy: 1.9662309622992549
Energy: 2.00173788721044
Energy: 1.9662309622992549
Energy: 2.00173788721044
Energy: 1.9662309622992549
Energy: 2.1019716254882286
Energy: 2.134151149304181
Energy: 2.1019716254882286
Energy: 2.134151149304939
Energy: 2.1019716254882286
Energy: 2.134151149304939
Energy: 2.1019716254882286
Energy: 2.097043577562082
Energy: 2.046368785929502
Energy: 2.0970435775628395
Energy: 2.046368785929502
Energy: 2.0970435775628395
Energy: 2.046368785929502
Energy: 2.0970435775635976
Energy: 2.1154725282061055
Energy: 2.5585361592701092
Energy: 2.1154725282061055
Energy: 2.558536159271625
Energy: 2.1154725282061055
Energy: 2.558536159272383
Energy: 2.1154725282061055
Energy: 2.089102583956651
Energy: 2.1506384351881453
Energy: 2.089102583956651
Energy: 2.1506384351881453
Energy: 2.089102583956651
Energy: 2.1506384351881453
Energy: 2.089102583956651
Energy: 1.9315328323346617
Energy: 2.026495597076411
Energy: 1.9315328323346617
Energy: 2.026495597076411
Energy: 1.9315328323346617
Energy: 2.0264955970756526
Energy: 1.9315328323346617
Energy: 1.9860279130969507
Energy: 2.1280958525337996
Energy: 1.9860279130969507
Energy: 2.1280958525337996
Energy: 1.9860279130969507
Energy: 2.128095852533042
Energy: 1.9860279130969507
Energy: 1.876391846416609
Energy: 2.513616250658513
Energy: 1.876391846416609
Energy: 2.5136162506592705
Energy: 1.876391846416609
Energy: 2.5136162506592705
Energy: 1.876391846416609
Energy: 1.963244023541842
Energy: 1.9319891737051813
Energy: 1.963244023541842
Energy: 1.9319891737059391
Energy: 1.963244023541842
Energy: 1.9319891737051813
Energy: 1.963244023541842
Energy: 1.954841200162733
Energy: 1.9219584384224062
Energy: 1.954841200162733
Energy: 1.9219584384231636
Energy: 1.954841200162733
Energy: 1.9219584384231636
Energy: 1.954841200162733
Energy: 1.838055223790646
Energy: 2.0573545594307237
Energy: 1.8380552237898882
Energy: 2.057354559429965
Energy: 1.838055223790646
Energy: 2.0573545594307237
Energy: 1.8380552237898882

minimum gb energy = 1.7624407878024955 eV
minimum distance =  2.49866082171637 Angstroms
sigma value = 113


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

Energy: 1.7613279250907194
Energy: 2.2048642727378778
Energy: 1.7613279250894889
Energy: 2.204864272739185
Energy: 1.7613279250911809
Energy: 2.2048642727383396
Energy: 1.7613279250890277
Energy: 1.7867707154012382
Energy: 1.7011402374107671
Energy: 1.7867707154020842
Energy: 1.7011402374099212
Energy: 1.7867707154020842
Energy: 1.7011402374099212
Energy: 1.7867707154003925
Energy: 1.8520047338813124
Energy: 1.7888648031509473
Energy: 1.8520047338821581
Energy: 1.788864803151793
Energy: 1.8520047338821581
Energy: 1.7888648031513315
Energy: 1.8520047338821581
Energy: 1.6323839166287428
Energy: 1.6815207885106291
Energy: 1.6323839166295886
Energy: 1.681520788509322
Energy: 1.632383916629204
Energy: 1.6815207885106291
Energy: 1.6323839166300502
Energy: 1.6736420108492427
Energy: 2.040600951641685
Energy: 1.6736420108534722
Energy: 2.040600951642531
Energy: 1.6736420108509344
Energy: 2.040600951641685
Energy: 1.6736420108509344
Energy: 1.6381271131938535
Energy: 1.7059406042358403
Energy: 1.6381271131934692
Energy: 1.7059406042366865
Energy: 1.6381271131938535
Energy: 1.7059406042353789
Energy: 1.6381271131934692
Energy: 1.6501180813883347
Energy: 1.7761181904460919
Energy: 1.6501180813878733
Energy: 1.776118190445246
Energy: 1.6501180813861815
Energy: 1.7761181904447847
Energy: 1.6501180813861815
Energy: 1.627766608985146
Energy: 1.6265581900450852
Energy: 1.6277666089906058
Energy: 1.6265581900450852
Energy: 1.6277666089872223
Energy: 1.6265581900463926
Energy: 1.627766608985146
Energy: 1.762901224638574
Energy: 1.8985095277727113
Energy: 1.7629012246390354
Energy: 1.898509527773173
Energy: 1.7629012246394202
Energy: 1.8985095277752488
Energy: 1.762901224638574
Energy: 1.6709726370354077
Energy: 1.586140590827037
Energy: 1.6709726370367153
Energy: 1.5861405908261912
Energy: 1.6709726370362536
Energy: 1.5861405908261912
Energy: 1.6709726370362536
Energy: 1.6420992680264017
Energy: 1.6965258539577803
Energy: 1.6420992680272475
Energy: 1.6965258539569346
Energy: 1.6420992680264017
Energy: 1.6965258539573957
Energy: 1.6420992680272475
Energy: 1.6535373558945008
Energy: 1.6301195519642768
Energy: 1.6535373558949622
Energy: 1.6301195519642768
Energy: 1.6535373558949622
Energy: 1.6301195519655072
Energy: 1.6535373558945008
Energy: 1.5733872868323713
Energy: 1.9428545894851783
Energy: 1.5733872868298333
Energy: 1.942854589484717
Energy: 1.573387286831064
Energy: 1.942854589486409
Energy: 1.5733872868315255
Energy: 1.6628666773543923
Energy: 1.625470286014352
Energy: 1.6628666773556995
Energy: 1.625470286015198
Energy: 1.662866677357391
Energy: 1.6254702860148134
Energy: 1.6628666773586216
Energy: 1.7201301445212605
Energy: 1.6408454939420354
Energy: 1.7201301445195682
Energy: 1.640845493943266
Energy: 1.720130144520414
Energy: 1.6408454939458033
Energy: 1.7201301445187225
Energy: 1.5770783521646095
Energy: 1.9281433667939585
Energy: 1.5770783521649936
Energy: 1.9281433667939585
Energy: 1.5770783521646095
Energy: 1.9281433667934973
Energy: 1.5770783521654552
Energy: 1.5284838853476999
Energy: 1.6424326105581957
Energy: 1.5284838853489302
Energy: 1.6424326105585805
Energy: 1.5284838853519291
Energy: 1.6424326105581957
Energy: 1.528483885351468
Energy: 1.633088605429664
Energy: 1.6702104500647004
Energy: 1.633088605429664
Energy: 1.6702104500642387
Energy: 1.6330886054309712
Energy: 1.6702104500655461
Energy: 1.633088605428818
Energy: 1.6464345336108797
Energy: 1.637320602794459
Energy: 1.6464345336117254
Energy: 1.6373206027948435
Energy: 1.6464345336108797
Energy: 1.6373206027939975
Energy: 1.6464345336108797
Energy: 1.7515220667337519
Energy: 1.9209055040162135
Energy: 1.751522066735444
Energy: 1.920905504015752
Energy: 1.7515220667342135
Energy: 1.920905504015752
Energy: 1.751522066734598
Energy: 1.7630915384384407
Energy: 1.6263235201010415
Energy: 1.7630915384389019
Energy: 1.626323520100657
Energy: 1.7630915384401322
Energy: 1.626323520101503
Energy: 1.7630915384389019
Energy: 1.6333191862911574
Energy: 1.704390398705715
Energy: 1.6333191862873127
Energy: 1.7043903987070221
Energy: 1.6333191862881584
Energy: 1.7043903987061757
Energy: 1.6333191862894658
Energy: 1.6004935241803822
Energy: 1.6788880947144962
Energy: 1.6004935241795364
Energy: 1.6788880947161877
Energy: 1.6004935241807665
Energy: 1.6788880947161877
Energy: 1.6004935241803822
Energy: 1.6021855098846205
Energy: 2.0010965748712715
Energy: 1.6021855098876194
Energy: 2.001096574868349
Energy: 1.6021855098863123
Energy: 2.001096574870041
Energy: 1.602185509887158
Energy: 1.7230975795639165
Energy: 1.7189280590378329
Energy: 1.7230975795647623
Energy: 1.7189280590378329
Energy: 1.7230975795643775
Energy: 1.7189280590378329
Energy: 1.7230975795639165
Energy: 1.8074140651725465
Energy: 1.7284064249393938
Energy: 1.8074140651742385
Energy: 1.7284064249398552
Energy: 1.8074140651750843
Energy: 1.7284064249398552
Energy: 1.8074140651733925
Energy: 1.7648314349399605
Energy: 1.8216770396017417
Energy: 1.7648314349408063
Energy: 1.821677039602203
Energy: 1.7648314349403447
Energy: 1.8216770396025876
Energy: 1.7648314349403447
Energy: 1.7090551321361602
Energy: 2.115902745284085
Energy: 1.7090551321361602
Energy: 2.115902745284085
Energy: 1.7090551321374676
Energy: 2.1159027452832393
Energy: 1.7090551321357759
Energy: 1.845707747321737
Energy: 1.725443703222553
Energy: 1.8457077473221983
Energy: 1.725443703222553
Energy: 1.8457077473221983
Energy: 1.725443703222553
Energy: 1.845707747321737
Energy: 1.8160321808892093
Energy: 1.704922516572468
Energy: 1.8160321808879787
Energy: 1.7049225165746211
Energy: 1.816032180888363
Energy: 1.7049225165737754
Energy: 1.8160321808875173
Energy: 1.7568892504319207
Energy: 1.8183713805766626
Energy: 1.756889250432305
Energy: 1.8183713805762782
Energy: 1.7568892504306135
Energy: 1.8183713805762782
Energy: 1.7568892504314593
Energy: 1.618046984249885
Energy: 1.9675417609686054
Energy: 1.6180469842511152
Energy: 1.9675417609694514
Energy: 1.6180469842519614
Energy: 1.9675417609686054
Energy: 1.6180469842435024
Energy: 1.7525701141359102
Energy: 1.7935170158631883
Energy: 1.752570114135449
Energy: 1.7935170158635734
Energy: 1.752570114135449
Energy: 1.793517015862727
Energy: 1.7525701141359102
Energy: 1.621357252177405
Energy: 1.7139338100432646
Energy: 1.6213572521760973
Energy: 1.7139338100415729
Energy: 1.6213572521769435
Energy: 1.7139338100411114
Energy: 1.6213572521765587
Energy: 1.6157458942499734
Energy: 1.8330455579570812
Energy: 1.6157458942495122
Energy: 1.8330455579570812
Energy: 1.6157458942512037
Energy: 1.8330455579566969
Energy: 1.6157458942495122
Energy: 1.706523403707418
Energy: 1.8943702517901926
Energy: 1.706523403707418
Energy: 1.8943702517889622
Energy: 1.7065234037129542
Energy: 1.8943702517893466
Energy: 1.7065234037078791
Energy: 1.7165659215256948
Energy: 1.6221412975053413
Energy: 1.7165659215256948
Energy: 1.6221412975061875
Energy: 1.7165659215273863
Energy: 1.6221412975061875
Energy: 1.7165659215226958
Energy: 1.6144552108310306
Energy: 1.659810187796527
Energy: 1.614455210833107
Energy: 1.659810187796527
Energy: 1.6144552108322607
Energy: 1.659810187796527
Energy: 1.6144552108305692
Energy: 1.5705855095094476
Energy: 1.676842705798334
Energy: 1.570585509509832
Energy: 1.676842705798334
Energy: 1.570585509509832
Energy: 1.6768427057987954
Energy: 1.5705855095089862
Energy: 1.5311979122633457
Energy: 1.963308081534623
Energy: 1.5311979122628843
Energy: 1.963308081534623
Energy: 1.5311979122641914
Energy: 1.9633080815354689
Energy: 1.53119791226373
Energy: 1.6297192055872918
Energy: 1.6374304692016897
Energy: 1.629719205586446
Energy: 1.6374304692013053
Energy: 1.6297192055872918
Energy: 1.6374304692016897
Energy: 1.6297192055869074
Energy: 1.8040656371091752
Energy: 1.5948995708042002
Energy: 1.8040656371087904
Energy: 1.5948995708042002
Energy: 1.8040656371091752
Energy: 1.5948995708050462
Energy: 1.8040656371096364
Energy: 1.5710260560007023
Energy: 1.9037752746262522
Energy: 1.571026056000318
Energy: 1.9037752746262522
Energy: 1.5710260560020095
Energy: 1.9037752746266368
Energy: 1.5710260560007023
Energy: 1.5411467010689663
Energy: 1.607595745402333
Energy: 1.541146701069812
Energy: 1.6075957454027945
Energy: 1.5411467010689663
Energy: 1.6075957454027945
Energy: 1.5411467010706583
Energy: 1.5908560346945368
Energy: 1.7000606130924758
Energy: 1.5908560346945368
Energy: 1.7000606130924758
Energy: 1.5908560346940754
Energy: 1.7000606130924758
Energy: 1.5908560346945368

minimum gb energy = 1.5284838853476999 eV
minimum distance =  2.50073844789525 Angstroms
sigma value = 365


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

Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791203866
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 4.836542913595093
Energy: 1.8631496498579885
Energy: 4.836542913582696
Energy: 1.8631496498570348
Energy: 4.836542913580789
Energy: 1.8631496498570348
Energy: 4.836542913591278
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.48535657912229374
Energy: 4.836542913607489
Energy: 1.8631496498579885
Energy: 4.836542913598906
Energy: 1.8631496498579885
Energy: 4.8365429135969995
Energy: 1.8631496498579885
Energy: 4.836542913603675
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791203866
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 3.6996540184737574
Energy: 1.8631496498579885
Energy: 3.699654018472804
Energy: 1.8631496498579885
Energy: 3.6996540184718496
Energy: 1.8631496498579885
Energy: 3.6996540184699427
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791203866
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 3.699654018468989
Energy: 1.8631496498579885
Energy: 3.699654018466129
Energy: 1.8631496498579885
Energy: 3.699654018470896
Energy: 1.8631496498579885
Energy: 3.6996540184613607
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791203866
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791203866
Energy: 3.699654018462314
Energy: 1.8631496498579885
Energy: 3.6996540184699427
Energy: 1.8631496498579885
Energy: 3.6996540184680353
Energy: 1.8631496498579885
Energy: 3.699654018466129
Energy: 0.4853565791203866
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791203866
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 3.4148306828302766
Energy: 1.8631496498579885
Energy: 3.4148306828522093
Energy: 1.8631496498579885
Energy: 3.4148306828283697
Energy: 1.8631496498579885
Energy: 3.4148306828321835
Energy: 0.4853565791203866
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 3.414830682856977
Energy: 1.8631496498570348
Energy: 3.4148306828340904
Energy: 1.8631496498579885
Energy: 3.414830682843627
Energy: 1.8631496498579885
Energy: 3.4148306828340904
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 3.4148306828626986
Energy: 1.8631496498570348
Energy: 3.4148306828598374
Energy: 1.8631496498570348
Energy: 3.4148306828512554
Energy: 1.8631496498570348
Energy: 3.4148306828522093
Energy: 0.4853565791213402
Energy: 0.6493956209577789
Energy: 0.4853565791203866
Energy: 0.6493956209577789
Energy: 0.4853565791203866
Energy: 0.6493956209577789
Energy: 0.4853565791213402
Energy: 3.4148306828350448
Energy: 1.8631496498579885
Energy: 3.4148306828369517
Energy: 1.8631496498570348
Energy: 3.41483068284172
Energy: 1.8631496498570348
Energy: 3.4148306828579305
Energy: 0.4853565791203866
Energy: 0.6493956209568255
Energy: 0.4853565791203866
Energy: 0.6493956209568255
Energy: 0.4853565791213402
Energy: 0.6493956209568255
Energy: 0.4853565791203866
Energy: 3.4148306828340904
Energy: 1.8631496498570348
Energy: 3.4148306828274158
Energy: 1.8631496498579885
Energy: 3.414830682843627
Energy: 1.8631496498570348
Energy: 3.4148306828541157

minimum gb energy = 0.4853565791203866 eV
minimum distance =  2.41910326819177 Angstroms
sigma value = 23