Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391808986664
cohesive_energy=4.4503500145001
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6514595872618398e-19, 2.3783350825749596e-19, 2.96389859876928e-19, 3.4647870798566995e-19, 3.90533758890768e-19, 4.2987039960873597e-19, 4.65299331516378e-19, 4.97357283786084e-19, 5.26433585339916e-19, 5.528102192654579e-19, 5.76708285938202e-19, 5.983040247878879e-19, 6.177368251816739e-19, 6.35123646013842e-19, 6.50565424412334e-19, 6.64145473562118e-19, 6.759374935883579e-19, 6.860039693797799e-19, 6.94402579295208e-19, 7.0118459298693e-19, 7.0639166704743e-19, 7.100686624224599e-19, 7.122492248213339e-19, 7.1296860213e-19, 7.12178729049438e-19, 7.095912137855279e-19, 7.04823136122744e-19, 6.97409864837226e-19, 6.86784229400538e-19, 6.722444764469881e-19, 6.52931839300752e-19, 6.27766450910514e-19, 5.954104937868839e-19, 5.54170467227724e-19, 5.01902658896742e-19, 4.35862540219896e-19, 3.5251090301268e-19, 2.47230274215906e-19, 1.1395176895764539e-19, -5.54306652241614e-20, -2.7185572908048597e-19, -5.503236411294899e-19, -9.11733033167406e-19, -1.3857642273390839e-18, -2.0154580967403e-18, -2.8647719304237e-18, -4.03146093353616e-18, -5.66983073769822e-18, -8.033281599343319e-18, -1.1557589541153118e-17, -1.7036424802312198e-17, -2.6023353977745e-17, -4.1855903257269604e-17, -7.26702460236648e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018089586040260668
Energy: 0.10841510639831121
Energy: 1.2135130140287067
Energy: 0.01918184592041831
Energy: 0.10841510639831121
Energy: 1.1500129726995008
Energy: 0.01918184592041831
Energy: 1.150012972702108
Energy: 1.2135130140293677
Energy: 0.01918184592041831
Energy: 0.018089586040260668
Energy: 0.10841510639636492
Energy: 0.01918184592041831
Energy: 1.1500129727001616
Energy: 0.10841510639765022
Energy: 1.150012972702108

minimum gb energy = 0.018089586040260668 eV
minimum distance =  2.38132719175137 Angstroms
sigma value = 1


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

Energy: 2.0297439401087947
Energy: 1.2638891028183104
Energy: 1.265628000844572
Energy: 1.154780015082444
Energy: 1.1814663260212857
Energy: 1.234147539933782
Energy: 1.1804849530503487
Energy: 1.234147539933782
Energy: 1.263824410678672
Energy: 1.263857612973188
Energy: 1.1801470626115556
Energy: 1.2638576129747914
Energy: 1.2415921859934744
Energy: 1.1941831596110335
Energy: 1.1802126424834667
Energy: 1.1941831596126369
Energy: 1.2143737351373167
Energy: 1.1921127878462616
Energy: 1.1882206042274621
Energy: 1.1921127878446582
Energy: 1.2408685946590232
Energy: 1.211093126088819
Energy: 1.1823210984654051
Energy: 1.211093126088819
Energy: 1.2300640549888782
Energy: 1.2148343461011366
Energy: 1.2145691354529367
Energy: 1.214834346100335
Energy: 1.217642730382103
Energy: 1.203504946629048
Energy: 1.2624833151175856
Energy: 1.2035049466282464
Energy: 1.231751607893354
Energy: 1.1864770396587438
Energy: 1.2279111469872388
Energy: 1.1864770396587438
Energy: 1.2514066380417581
Energy: 1.1889922752263289
Energy: 1.2298661117006313
Energy: 1.1889922752271305
Energy: 1.2243264572137535
Energy: 1.1859948762690815
Energy: 1.227555867475804
Energy: 1.1859948762690815
Energy: 1.2214649635111383
Energy: 1.1880974058471558
Energy: 1.2629136934004774
Energy: 1.1880974058463543
Energy: 1.3235769210552024
Energy: 1.2143613629298011
Energy: 1.2020911951529112
Energy: 1.2143613629306027
Energy: 1.2403296593039368
Energy: 1.2105514998920515
Energy: 1.2366312675940292
Energy: 1.2105514998928533
Energy: 1.2017698815962639
Energy: 1.19380092813435
Energy: 1.1850585665930347
Energy: 1.1938009281359534
Energy: 1.2102077282330632
Energy: 1.1932637963942268
Energy: 1.181492814649999
Energy: 1.1932637963942268
Energy: 1.264468887371923
Energy: 1.2630441983111307
Energy: 1.1507850669242905
Energy: 1.2630441983111307
Energy: 1.1806931813369086
Energy: 1.1934677296969753
Energy: 1.2114169242127621
Energy: 1.1934677296969753
Energy: 1.1817519392669344
Energy: 1.2619017882854193
Energy: 1.2661646184063926
Energy: 1.2619017882854193
Energy: 1.24283977613134
Energy: 1.2513313717886256
Energy: 1.178324693945994
Energy: 1.2513313717886256
Energy: 1.1895652288147571
Energy: 1.1916090218332311
Energy: 1.2175497287379389
Energy: 1.1916090218316278
Energy: 1.1832863308852266
Energy: 1.2509165025030808
Energy: 1.2414937140164886
Energy: 1.2509165025030808
Energy: 1.21548666188402
Energy: 1.2134473490036424
Energy: 1.227832399169002
Energy: 1.2134473490036424
Energy: 1.267757203888334
Energy: 1.2092732708102085
Energy: 1.219365276733492
Energy: 1.20927327081101
Energy: 1.228775628882019
Energy: 1.1847729341257558
Energy: 1.2257912902651382
Energy: 1.1847729341273592
Energy: 1.231821347490238
Energy: 1.1858003678604743
Energy: 1.2538647958567428
Energy: 1.1858003678604743
Energy: 1.2282228240885016
Energy: 1.1860199823979682
Energy: 1.225432314197866
Energy: 1.1860199823971667
Energy: 1.259975748073836
Energy: 1.1840925433304164
Energy: 1.2172830385146705
Energy: 1.1840925433296148
Energy: 1.2025432514119028
Energy: 1.2154930802927075
Energy: 1.3239200760325516
Energy: 1.2154930802927075
Energy: 1.2264875355398677
Energy: 1.2089474049767226
Energy: 1.2397493228267866
Energy: 1.2089474049767226
Energy: 1.1841321701907128
Energy: 1.1935654309526187
Energy: 1.2013445412085941
Energy: 1.1935654309534205
Energy: 1.1808877011424601
Energy: 1.1936673366914423
Energy: 1.263809007024351
Energy: 1.1936673366906405
Energy: 1.1517402159172254
Energy: 1.1974609840535984
Energy: 1.2649922487048273
Energy: 1.1974609840527968

minimum gb energy = 1.1507850669242905 eV
minimum distance =  2.21735786456397 Angstroms
sigma value = 1


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

Energy: 2.2984566326660487
Energy: 1.3206738421858755
Energy: 1.3212384010515053
Energy: 1.19848359242484
Energy: 1.2359854245412853
Energy: 1.2854870686713487
Energy: 1.234794002707296
Energy: 1.2854870686686064
Energy: 1.3224444219309883
Energy: 1.3208518054188383
Energy: 1.2316200425332189
Energy: 1.3208518054179241
Energy: 1.2974521415141447
Energy: 1.2478609638650258
Energy: 1.2353239061503554
Energy: 1.2478609638659397
Energy: 1.234994893692049
Energy: 1.2450034839703428
Energy: 1.2400638015719627
Energy: 1.245003483971257
Energy: 1.2983053024581321
Energy: 1.26977579228182
Energy: 1.2332288891806205
Energy: 1.269775792283648
Energy: 1.2971501236752563
Energy: 1.2723721117301432
Energy: 1.275173459343314
Energy: 1.2723721117301432
Energy: 1.2756548315359755
Energy: 1.2601782219967508
Energy: 1.3189958591454385
Energy: 1.2601782219958366
Energy: 1.2762011414126486
Energy: 1.248466123159926
Energy: 1.2862523836744233
Energy: 1.248466123159926
Energy: 1.3166547370460846
Energy: 1.2542667798605902
Energy: 1.2787799858771374
Energy: 1.2542667798605902
Energy: 1.2596506051668868
Energy: 1.27199043914244
Energy: 1.2977627739981294
Energy: 1.271990439141526
Energy: 1.291882310336184
Energy: 1.2709116525845243
Energy: 1.2974313530893318
Energy: 1.2709116525863524
Energy: 1.2394154921043357
Energy: 1.245429618264827
Energy: 1.2590792986655461
Energy: 1.2454296182656996
Energy: 1.2346326415724458
Energy: 1.2454181178718116
Energy: 1.2622704732970607
Energy: 1.2454181178727257
Energy: 1.196415182955465
Energy: 1.2473143151589137
Energy: 1.3200685609778566
Energy: 1.2473143151607415
Energy: 1.2623638570543048
Energy: 1.2473232386282107
Energy: 1.2327064374111811
Energy: 1.2473232386291246
Energy: 1.3237635882224132
Energy: 1.3209936888890788
Energy: 1.2303480066513792
Energy: 1.3209936888909068
Energy: 1.2321460321380524
Energy: 1.3121148801886824
Energy: 1.2984623521298782
Energy: 1.3121148801886824
Energy: 1.2306489136128114
Energy: 1.2450945210700133
Energy: 1.232864207007883
Energy: 1.2450945210718414
Energy: 1.2966128954399472
Energy: 1.309868935688352
Energy: 1.234571612511745
Energy: 1.309868935689266
Energy: 1.2768698202275106
Energy: 1.2731960984679525
Energy: 1.2744472481306206
Energy: 1.2731960984697808
Energy: 1.2748904958558418
Energy: 1.2705496459155554
Energy: 1.320400357074712
Energy: 1.2705496459137273
Energy: 1.2761336812167112
Energy: 1.2509375000518494
Energy: 1.2861605183277647
Energy: 1.2509375000527634
Energy: 1.3163455584534243
Energy: 1.2540502473046766
Energy: 1.2775336808659437
Energy: 1.2540502473037627
Energy: 1.2596845803687613
Energy: 1.2740810228392376
Energy: 1.4139663589887184
Energy: 1.2740810228410657
Energy: 1.284794094954615
Energy: 1.2676097279880276
Energy: 1.297866760772063
Energy: 1.2676097279889416
Energy: 1.2382178715418712
Energy: 1.2443002067796443
Energy: 1.2588085707910082
Energy: 1.2443002067823865
Energy: 1.2342442997910061
Energy: 1.2446839605046383
Energy: 1.2605647077578142
Energy: 1.2446839605073803
Energy: 1.1954768226563344
Energy: 1.2485372332134492
Energy: 1.3213057876175458
Energy: 1.2485372332143632

minimum gb energy = 1.1954768226563344 eV
minimum distance =  2.2214944742127 Angstroms
sigma value = 25


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

Energy: 2.1432213874254167
Energy: 1.3839473973646397
Energy: 1.3846227610291142
Energy: 1.243661488669187
Energy: 1.289225695834442
Energy: 1.336387838155609
Energy: 1.2886606835284047
Energy: 1.3363878381566714
Energy: 1.383522010879712
Energy: 1.3836706529781426
Energy: 1.2859573250715988
Energy: 1.3836706529802676
Energy: 1.2850965946624011
Energy: 1.3045729514917073
Energy: 1.2881386705942774
Energy: 1.3045729514917073
Energy: 1.2869092389863361
Energy: 1.302185114547636
Energy: 1.3022953624182685
Energy: 1.302185114547636
Energy: 1.3599467154465101
Energy: 1.3779288784710226
Energy: 1.2891624637582988
Energy: 1.3779288784710226
Energy: 1.361852037790584
Energy: 1.3386192234120575
Energy: 1.3566578119657944
Energy: 1.3386192234120575
Energy: 1.3301665893001984
Energy: 1.3286250922537235
Energy: 1.3864270732930388
Energy: 1.3286250922547862
Energy: 1.3611514830344318
Energy: 1.338384647730743
Energy: 1.325002241577459
Energy: 1.338384647730743
Energy: 1.360223493730975
Energy: 1.3390807796634945
Energy: 1.3597294856704736
Energy: 1.3390807796634945
Energy: 1.237071181630117
Energy: 1.3022348629066862
Energy: 1.296567239175613
Energy: 1.3022348629066862
Energy: 1.3121347433483743
Energy: 1.3009468031273592
Energy: 1.2897937420802743
Energy: 1.3009468031294844
Energy: 1.3829149930114488
Energy: 1.3047225389908175
Energy: 1.2368222152852097
Energy: 1.3047225389908175
Energy: 1.2882759737702432
Energy: 1.3016256079905948
Energy: 1.3313243902928262
Energy: 1.3016256079905948
Energy: 1.2875808011480054
Energy: 1.383716183711437
Energy: 1.388352647368268
Energy: 1.383716183711437
Energy: 1.3588135556955434
Energy: 1.3016938542881091
Energy: 1.282766308678209
Energy: 1.3016938542881091
Energy: 1.2892624711042142
Energy: 1.3031774881123164
Energy: 1.2869609766800307
Energy: 1.3031774881123164
Energy: 1.290198624466848
Energy: 1.3748786187552495
Energy: 1.361220215225317
Energy: 1.374878618754187
Energy: 1.3561724139633906
Energy: 1.3441332668439385
Energy: 1.3599949127549875
Energy: 1.344133266842876
Energy: 1.3901196167122785
Energy: 1.3394683699183096
Energy: 1.333765761370578
Energy: 1.3394683699183096
Energy: 1.325171551582108
Energy: 1.3415155300718862
Energy: 1.3586840579996444
Energy: 1.3415155300718862
Energy: 1.356858933123951
Energy: 1.3369343789165862
Energy: 1.3600072289465546
Energy: 1.3369343789165862
Energy: 1.2953268697687381
Energy: 1.3017653186591092
Energy: 1.383910079432971
Energy: 1.3017653186601719
Energy: 1.2913255682446747
Energy: 1.3015630734765675
Energy: 1.3124651775749478
Energy: 1.3015630734765675
Energy: 1.235980814032371
Energy: 1.3055776562634085
Energy: 1.38556738311003
Energy: 1.3055776562634085

minimum gb energy = 1.235980814032371 eV
minimum distance =  2.22660037907651 Angstroms
sigma value = 9


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

Energy: 2.1206981483928895
Energy: 1.4706994704921834
Energy: 1.4724041445317153
Energy: 1.37136376424002
Energy: 1.3590389898824597
Energy: 1.4065809196053844
Energy: 1.3916399547495126
Energy: 1.4065809196041172
Energy: 1.4729495689389713
Energy: 1.4723130393204977
Energy: 1.3913596986794847
Energy: 1.4723130393204977
Energy: 1.3478527592094411
Energy: 1.3924301277811417
Energy: 1.3919348434241188
Energy: 1.3924301277811417
Energy: 1.3206106059476082
Energy: 1.3899159075374443
Energy: 1.374834422582441
Energy: 1.3899159075374443
Energy: 1.4051633553633869
Energy: 1.4755418734724761
Energy: 1.3645263607446285
Energy: 1.4755418734724761
Energy: 1.43074073185536
Energy: 1.422651139983214
Energy: 1.364962881360818
Energy: 1.422651139983214
Energy: 1.4276238500824943
Energy: 1.4222008190925457
Energy: 1.460578326280394
Energy: 1.4222008190925457
Energy: 1.4889395510697223
Energy: 1.4848992826259302
Energy: 1.3421815499648924
Energy: 1.4848992826259302
Energy: 1.3644086750312012
Energy: 1.4171891810307626
Energy: 1.3428572999457913
Energy: 1.4171891810307626
Energy: 1.321990992154297
Energy: 1.2683110030342053
Energy: 1.294432169741267
Energy: 1.2683110030342053
Energy: 1.3646694488249311
Energy: 1.2675187455195198
Energy: 1.2952051077281193
Energy: 1.267518745518252
Energy: 1.5546666792759831
Energy: 1.5791932783692832
Energy: 1.3914081890551704
Energy: 1.579193278370551
Energy: 1.4249880665444337
Energy: 1.4170331877603317
Energy: 1.4441538556982505
Energy: 1.4170331877590643
Energy: 1.3215022142815882
Energy: 1.3499009641834856
Energy: 1.3690995973926954
Energy: 1.3499009641834856
Energy: 1.4114479898863468
Energy: 1.3487015421858128
Energy: 1.3562446138430444
Energy: 1.3487015421858128
Energy: 1.3695768158305732
Energy: 1.4575021084226025
Energy: 1.3555593007609807
Energy: 1.45750210842387
Energy: 1.3690762830639567
Energy: 1.4539659536517189
Energy: 1.4567086934204128
Energy: 1.453965953652986
Energy: 1.3834479617443682
Energy: 1.3852144698210156
Energy: 1.3427655488630108
Energy: 1.3852144698210156
Energy: 1.3595948091546524
Energy: 1.38545423914759
Energy: 1.3520771782876728
Energy: 1.38545423914759
Energy: 1.3427775502722545
Energy: 1.443634326771047
Energy: 1.4521138507623195
Energy: 1.4436343267723144

minimum gb energy = 1.267518745518252 eV
minimum distance =  2.21234149347115 Angstroms
sigma value = 25


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

Energy: 1.5540544938832344
Energy: 1.4898940490954955
Energy: 1.4911008708014868
Energy: 1.2849798598429563
Energy: 1.305205583127308
Energy: 1.3538757869034248
Energy: 1.3047323089311111
Energy: 1.3538757869034248
Energy: 1.4891987520010004
Energy: 1.4894229039982172
Energy: 1.430269488939013
Energy: 1.4894229039982172
Energy: 1.2769087682751221
Energy: 1.4039580226605977
Energy: 1.3047937029145233
Energy: 1.4039580226590302
Energy: 1.412338492134639
Energy: 1.4041027943312492
Energy: 1.3055867041427678
Energy: 1.4041027943312492
Energy: 1.2748308078089103
Energy: 1.5015821026498144
Energy: 1.304564376145208
Energy: 1.5015821026498144
Energy: 1.2699326740746741
Energy: 1.4043434415967153
Energy: 1.4155803526244197
Energy: 1.4043434415967153
Energy: 1.2693051377062572
Energy: 1.4028082714369283
Energy: 1.3082389485670598
Energy: 1.4028082714369283
Energy: 1.4885924979427119
Energy: 1.275862464975512
Energy: 1.2691254013619846
Energy: 1.275862464975512
Energy: 1.3064589953904626
Energy: 1.414083536521007
Energy: 1.2696385412935312
Energy: 1.414083536521007
Energy: 1.4283623944569612
Energy: 1.4890856094787306
Energy: 1.4884032746285218
Energy: 1.489085609477163
Energy: 1.2761316278822952
Energy: 1.3551816429399521
Energy: 1.2751113749272749
Energy: 1.3551816429415198
Energy: 1.3064713751479113
Energy: 1.4028312258013218
Energy: 1.4122140285599878
Energy: 1.4028312258013218
Energy: 1.3101309975739464
Energy: 1.4039815707477323
Energy: 1.27704940856276
Energy: 1.4039815707477323
Energy: 1.4142739872949925
Energy: 1.4029667561767125
Energy: 1.2701156902081443
Energy: 1.4029667561767125
Energy: 1.3054884994027247
Energy: 1.4036837971228586
Energy: 1.2691186945715043
Energy: 1.4036837971228586
Energy: 1.2722762130091103
Energy: 1.275019393752504
Energy: 1.27734543679372
Energy: 1.2750193937509364

minimum gb energy = 1.2691186945715043 eV
minimum distance =  2.27738911253029 Angstroms
sigma value = 17


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

Energy: 2.404957522225254
Energy: 1.6979516786126387
Energy: 1.6326600211827607
Energy: 1.6404471920584256
Energy: 1.3676014024118566
Energy: 1.4602173496017261
Energy: 1.3649107461440635
Energy: 1.4602173496017261
Energy: 1.4058203998225791
Energy: 1.4012961153699377
Energy: 1.4491411819856053
Energy: 1.4012961153699377
Energy: 1.3651745431426825
Energy: 1.4748546200767951
Energy: 1.3648040067214842
Energy: 1.4748546200767951
Energy: 1.467870118749403
Energy: 1.4731469262233472
Energy: 1.4454312852626567
Energy: 1.4731469262233472
Energy: 1.3669373689181343
Energy: 1.475854922195177
Energy: 1.4533013061994264
Energy: 1.4758549221942894
Energy: 1.4436063043457406
Energy: 1.3640877360111021
Energy: 1.4012266594448994
Energy: 1.3640877360111021
Energy: 1.452932866456993
Energy: 1.36490079183983
Energy: 1.3152210652351592
Energy: 1.36490079183983
Energy: 1.6399856396348966
Energy: 1.4875221228014068
Energy: 1.4420053995181334
Energy: 1.4875221228014068
Energy: 1.4446036229647974
Energy: 1.4631692677839374
Energy: 1.3658568135203972
Energy: 1.4631692677830497
Energy: 1.6391379745622419
Energy: 1.3784931661638966
Energy: 1.3711541497306594
Energy: 1.3784931661638966
Energy: 1.4470596655910946
Energy: 1.378749367057201
Energy: 1.3667410443000763
Energy: 1.3787493670589768
Energy: 1.4430241767201386
Energy: 1.3784888423182746
Energy: 1.3611067166449347
Energy: 1.3784888423191626
Energy: 1.4435214282173408
Energy: 1.3799118413472196
Energy: 1.3693417467096065
Energy: 1.3799118413472196
Energy: 1.4455344400721029
Energy: 1.4450145387202413
Energy: 1.4407136859615912
Energy: 1.4450145387202413
Energy: 1.497013282983074
Energy: 1.444956242765523
Energy: 1.4414743233419056
Energy: 1.444956242765523
Energy: 1.4447397636103159
Energy: 1.3646365724079055
Energy: 1.308112107584377
Energy: 1.3646365724087932
Energy: 1.4436519569382813
Energy: 1.3647025660324166
Energy: 1.4098186652289073
Energy: 1.3647025660324166
Energy: 1.4518495459067233
Energy: 1.4719447865196267
Energy: 1.4530220655809205
Energy: 1.4719447865196267
Energy: 1.4334493249012885
Energy: 1.4764629871779056
Energy: 1.455583146684503
Energy: 1.4764629871779056
Energy: 1.368267024512565
Energy: 1.4654500990090154
Energy: 1.4445360150371451
Energy: 1.4654500990081276
Energy: 1.401997191401852
Energy: 1.4040744540830086
Energy: 1.8393283971595222
Energy: 1.404074454085672
Energy: 1.3639467482045615
Energy: 1.4116246976022322
Energy: 1.3633353901057834
Energy: 1.4116246976022322
Energy: 1.443796741660671
Energy: 1.484818771519168
Energy: 1.6350292549827434
Energy: 1.4848187715182803
Energy: 1.309388216031144
Energy: 1.3795186335086513
Energy: 1.4449493633663366
Energy: 1.3795186335086513
Energy: 1.3664175675538446
Energy: 1.378612578850122
Energy: 1.465127564928618
Energy: 1.3786125788492345
Energy: 1.3721357790114723
Energy: 1.4837265882612238
Energy: 1.445027321253568
Energy: 1.4837265882612238
Energy: 1.3678967441993042
Energy: 1.3795217354293428
Energy: 1.4464849744940538
Energy: 1.3795217354302305
Energy: 1.3677598055609026
Energy: 1.3791049449424848
Energy: 1.44265624237132
Energy: 1.3791049449344948
Energy: 1.441227049410402
Energy: 1.633661723171773
Energy: 1.631467191423467
Energy: 1.6336617231726607

minimum gb energy = 1.308112107584377 eV
minimum distance =  2.24960348570096 Angstroms
sigma value = 53


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

Energy: 2.102471528183248
Energy: 1.4456254968625732
Energy: 1.449896176095269
Energy: 1.1887748156766298
Energy: 1.4629791981732394
Energy: 1.2378223000624442
Energy: 1.4654819561733339
Energy: 1.2378223000624442
Energy: 1.4461251939904247
Energy: 1.444850474915634
Energy: 1.4798173111015218
Energy: 1.4448504749135902
Energy: 1.4603137693743027
Energy: 1.2390434052256967
Energy: 1.4609412175566912
Energy: 1.2390434052256967
Energy: 1.487027104569681
Energy: 1.2389307611382485
Energy: 1.1650836179170614
Energy: 1.2389307611382485
Energy: 1.4593988357420715
Energy: 1.241207814592613
Energy: 1.164865153414901
Energy: 1.241207814592613
Energy: 1.740816921785126
Energy: 1.4977578459042604
Energy: 1.5030294117766456
Energy: 1.4977578459001728
Energy: 1.7422885634686351
Energy: 1.240397092152173
Energy: 1.460468665269178
Energy: 1.240397092152173
Energy: 1.4441026047100365
Energy: 1.4451082601740664
Energy: 1.4832541970173803
Energy: 1.4451082601740664
Energy: 1.4602514557711472
Energy: 1.239119110808688
Energy: 1.4603038675290665
Energy: 1.2391191108106854
Energy: 1.4850632413552565
Energy: 1.2396334960506523
Energy: 1.1650041031210938
Energy: 1.2396334960506523
Energy: 1.4615523692804764
Energy: 1.2389817468869222
Energy: 1.1699111555481991
Energy: 1.2389817468869222
Energy: 1.7413419598477953
Energy: 1.2412250343352098
Energy: 1.496551127486792
Energy: 1.2412250343352098

minimum gb energy = 1.164865153414901 eV
minimum distance =  2.27139926916914 Angstroms
sigma value = 9


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

Energy: 1.997158442827005
Energy: 1.6529976156457287
Energy: 1.6554552196760193
Energy: 1.5623700716162536
Energy: 1.383704067518586
Energy: 1.320328771016973
Energy: 1.6356644843579566
Energy: 1.320328771019999
Energy: 1.3337420590022917
Energy: 1.3204286834907484
Energy: 1.8181184062050795
Energy: 1.3204286834922616
Energy: 1.3264751035003055
Energy: 1.3209991311656886
Energy: 1.781960672380468
Energy: 1.320999131166445
Energy: 1.323868915921934
Energy: 1.3197749527497948
Energy: 1.6214153941302787
Energy: 1.3197749527497948
Energy: 1.3197696492081512
Energy: 1.3196864905541543
Energy: 1.6223598610050434
Energy: 1.3196864905533978
Energy: 1.5861967133819315
Energy: 1.643605396389065
Energy: 1.6613285429523799
Energy: 1.643605396389065
Energy: 1.6265758813043139
Energy: 1.4816842925375417
Energy: 1.6679318274447277
Energy: 1.4816842925367852
Energy: 1.3372335504997854
Energy: 1.4640457251757417
Energy: 1.4816251067030741
Energy: 1.4640457251749852
Energy: 1.3204149753640768
Energy: 1.4405139674720853
Energy: 1.4475219757446567
Energy: 1.440513967473598
Energy: 1.4274220920762628
Energy: 1.372967748499264
Energy: 1.7227557432718763
Energy: 1.372967748499264
Energy: 1.4422416045663387
Energy: 1.4268879490694293
Energy: 1.5557682933376626
Energy: 1.4268879490686728
Energy: 1.6527862273389897
Energy: 1.4279779925602125
Energy: 1.4523198934079975
Energy: 1.4279779925579432
Energy: 1.6810745518329515
Energy: 1.4284917980129583
Energy: 1.432204601660589
Energy: 1.4284917980137146
Energy: 1.5107034943800246
Energy: 1.4544065257091066
Energy: 1.336053680691251
Energy: 1.454406525709863
Energy: 1.6450005248430823
Energy: 1.4504855998390107
Energy: 1.3291290595541465
Energy: 1.450485599837498
Energy: 1.4484326877215576
Energy: 1.322594571497021
Energy: 1.4238850665188734
Energy: 1.3225945714924825
Energy: 1.6546336339850864
Energy: 1.6395905148471819
Energy: 1.9976784520466773
Energy: 1.6395905148502077
Energy: 1.6421110002076285
Energy: 1.320763730839081
Energy: 1.4404271865835754
Energy: 1.320763730839081
Energy: 1.8193177915215253
Energy: 1.3195870577777298
Energy: 1.3392326400133139
Energy: 1.3195870577784863
Energy: 1.6620878656687348
Energy: 1.3201319060456076
Energy: 1.3222910889049426
Energy: 1.3201319060456076
Energy: 1.5928891722283216
Energy: 1.319058617563203
Energy: 1.3209007234985233
Energy: 1.319058617563203
Energy: 1.6217162499322437
Energy: 1.3198727608267335
Energy: 1.319826015430332
Energy: 1.3198727608282468
Energy: 1.6638420580216469
Energy: 1.6682593075346326
Energy: 1.5979924550823335
Energy: 1.6682593075353893
Energy: 1.6661862205129605
Energy: 1.4896140750232485
Energy: 1.6832323840851675
Energy: 1.4896140750225606
Energy: 1.4845377706422793
Energy: 1.4629809958446
Energy: 1.3220676110857372
Energy: 1.4629809958438436
Energy: 1.4527631962979473
Energy: 1.4413470434838414
Energy: 1.3193375279692996
Energy: 1.4413470434823286
Energy: 1.7168788073206889
Energy: 1.3718307129427092
Energy: 1.4289746217050128
Energy: 1.3718307129411964
Energy: 1.5911225763685883
Energy: 1.3836071358612394
Energy: 1.4422715844518552
Energy: 1.3836071358612394
Energy: 1.455643103909436
Energy: 1.370460325186738
Energy: 1.6537089234032645
Energy: 1.370460325186738
Energy: 1.4275690690204013
Energy: 1.4277984900193923
Energy: 1.439498079712805
Energy: 1.427798490018636
Energy: 1.3682193848838298
Energy: 1.4531835486050866
Energy: 1.6169557179840368
Energy: 1.453183548605843
Energy: 1.3266861737137956
Energy: 1.4537995529789505
Energy: 1.3214646901043867
Energy: 1.4537995529812198
Energy: 1.4212643393970124
Energy: 1.3231826726007856
Energy: 1.332259054281942
Energy: 1.3231826725992724
Energy: 1.9956494971387202
Energy: 1.5424771719696284
Energy: 1.654825207638253
Energy: 1.5424771719650898

minimum gb energy = 1.319058617563203 eV
minimum distance =  2.23004270407941 Angstroms
sigma value = 73


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

Energy: 2.0446481984880642
Energy: 1.551837149958528
Energy: 1.5521835627745981
Energy: 1.4649977922818305
Energy: 1.3777487436645275
Energy: 1.360023581149816
Energy: 1.4979097123839709
Energy: 1.360023581151016
Energy: 1.3584511496879859
Energy: 1.3597317841020558
Energy: 1.7362193594675392
Energy: 1.3597317840996557
Energy: 1.3587983576975464
Energy: 1.359698776646409
Energy: 1.5344901918633982
Energy: 1.3596987766476092
Energy: 1.3618111313523826
Energy: 1.362416545767004
Energy: 1.477701002329971
Energy: 1.362416545765804
Energy: 1.4151540388173454
Energy: 1.3628987717853729
Energy: 1.476965033132275
Energy: 1.3628987717853729
Energy: 1.4903108908698008
Energy: 1.5319652080979165
Energy: 1.6114209303314007
Energy: 1.5319652080967163
Energy: 1.4453195331642426
Energy: 1.5062456171159517
Energy: 1.3540111609853915
Energy: 1.5062456171159517
Energy: 1.4025411370595717
Energy: 1.5897089884117217
Energy: 1.4683370688852817
Energy: 1.5897089884117217
Energy: 1.4717069455495422
Energy: 1.4839704686870223
Energy: 1.3321490957448048
Energy: 1.4839704686870223
Energy: 1.4239606696231017
Energy: 1.3320869181239545
Energy: 1.3579265065505732
Energy: 1.3320869181239545
Energy: 1.409031047144908
Energy: 1.3318565544550243
Energy: 1.3290702138148265
Energy: 1.3318565544538241
Energy: 1.4648130050933257
Energy: 1.3335925699819993
Energy: 1.3321391569745316
Energy: 1.3335925699819993
Energy: 1.3370780714300987
Energy: 1.3332505570322384
Energy: 1.3338787911814656
Energy: 1.3332505570910473
Energy: 1.4333436360698184
Energy: 1.4667817275677124
Energy: 1.3750581568933813
Energy: 1.4667817275677124
Energy: 1.4863513784830154
Energy: 1.3386486124036718
Energy: 1.3389308993451148
Energy: 1.338648612402472
Energy: 1.542137256491707
Energy: 1.46508342738546
Energy: 1.4710456725859224
Energy: 1.46508342738546
Energy: 1.5535758576310112
Energy: 1.5745139798523748
Energy: 1.4919626276733216
Energy: 1.5745139798523748
Energy: 1.3773343616418974
Energy: 1.4357613199036652
Energy: 1.4613903557917545
Energy: 1.4357613199024655
Energy: 1.627246823509716
Energy: 1.4379081199518555
Energy: 1.4762878693118053
Energy: 1.4379081199530557
Energy: 1.3775791234692032
Energy: 1.4371461288691825
Energy: 1.343149513313866
Energy: 1.4371461288691825
Energy: 1.5348459359302624
Energy: 1.5564115281279032
Energy: 1.5575181358498347
Energy: 1.5564115281291033

minimum gb energy = 1.3290702138148265 eV
minimum distance =  2.23822956903755 Angstroms
sigma value = 7


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

Energy: 2.2589549838487613
Energy: 1.5456935585425469
Energy: 1.5491128259462348
Energy: 1.4159964047587246
Energy: 1.3740749406687107
Energy: 1.3687029916072817
Energy: 1.4142070316737785
Energy: 1.3687029916055844
Energy: 1.3796017564612961
Energy: 1.369682266670663
Energy: 1.5682573709889664
Energy: 1.3696822666698143
Energy: 1.3725398275425267
Energy: 1.3676517346135921
Energy: 1.4081350103943646
Energy: 1.3676517346127437
Energy: 1.371935170859914
Energy: 1.369011406637396
Energy: 1.3594555852850747
Energy: 1.3690114066356984
Energy: 1.409230790427457
Energy: 1.3686604205837314
Energy: 1.3609415357966232
Energy: 1.3686604205837314
Energy: 1.5292612313996803
Energy: 1.3691642881985036
Energy: 1.385586961456848
Energy: 1.3691642881968065
Energy: 1.4066912224625527
Energy: 1.368735620038078
Energy: 1.370570219258302
Energy: 1.3687356200414724
Energy: 1.4058430635310326
Energy: 1.3665122298791192
Energy: 1.3676489795702775
Energy: 1.3665122298799681
Energy: 1.7526752152050704
Energy: 1.6091130281392911
Energy: 1.37247158956449
Energy: 1.6091130281418369
Energy: 1.4069979889986377
Energy: 1.4383640570906941
Energy: 1.4041919911600242
Energy: 1.4383640570923917
Energy: 1.5450420403398097
Energy: 1.3703255877466138
Energy: 1.453774898652242
Energy: 1.3703255877457652
Energy: 1.39393804892032
Energy: 1.4436906762332877
Energy: 1.3713237456675265
Energy: 1.4436906762324393
Energy: 1.373779140396889
Energy: 1.436054426871822
Energy: 1.388145181441262
Energy: 1.436054426871822
Energy: 1.3714685916472962
Energy: 1.444236274960188
Energy: 1.3972619846468397
Energy: 1.4442362749618851
Energy: 1.694577236464408
Energy: 1.3753286736451367
Energy: 1.5438620560437875
Energy: 1.3753286736425907
Energy: 1.4859199964216354
Energy: 1.4396281490383862
Energy: 1.4232546713842344
Energy: 1.439628149039235
Energy: 1.3914676170062503
Energy: 1.6095548018788923
Energy: 1.566867057830992
Energy: 1.609554801879741
Energy: 1.36443538864077
Energy: 1.3669094138867925
Energy: 1.4050798928569515
Energy: 1.3669094138876414
Energy: 1.3694374844071144
Energy: 1.368431520597509
Energy: 1.3870249991983103
Energy: 1.368431520597509
Energy: 1.4067113619374452
Energy: 1.369996986905321
Energy: 1.3549112849588913
Energy: 1.3699969869044721
Energy: 1.4192162271594957
Energy: 1.368986363671663
Energy: 1.4091875089695527
Energy: 1.368986363671663
Energy: 1.4518774513556658
Energy: 1.3695181919061474
Energy: 1.3721969387503339
Energy: 1.3695181919078445
Energy: 1.407817146379904
Energy: 1.3671106605651455
Energy: 1.3718373235967078
Energy: 1.3671106605634482
Energy: 1.7550882340430327
Energy: 1.3693742556799942
Energy: 1.364961746761306
Energy: 1.3693742556749025
Energy: 1.3505524229170731
Energy: 1.367554628751951
Energy: 1.374945285932789
Energy: 1.3675546287527998
Energy: 1.5488769270194929
Energy: 1.546708967375823
Energy: 2.003246502588571
Energy: 1.5467089673749745
Energy: 1.371279536229121
Energy: 1.442901215130792
Energy: 1.3761291995529221
Energy: 1.4429012151316407
Energy: 1.5722731895770525
Energy: 1.4414892241725068
Energy: 1.398235490695919
Energy: 1.4414892241725068
Energy: 1.3689268662473717
Energy: 1.443190500658757
Energy: 1.3877915488172026
Energy: 1.4431905006579082
Energy: 1.452030985601967
Energy: 1.3705677490687798
Energy: 1.3706214125048488
Energy: 1.3705677490679313

minimum gb energy = 1.3505524229170731 eV
minimum distance =  2.23774493280122 Angstroms
sigma value = 29


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

Energy: 1.2585085507052134
Energy: 1.4144070703995557
Energy: 1.381424744757947
Energy: 1.2610335142954516
Energy: 1.3416937570626968
Energy: 1.2879809690121977
Energy: 1.3398413801361304
Energy: 1.2879809690119353
Energy: 1.3412039161765485
Energy: 1.3198657327270331
Energy: 1.294496468319449
Energy: 1.3198657327267376
Energy: 1.3394829188430795
Energy: 1.2845124513672224
Energy: 1.3396385855238842
Energy: 1.284512451368109
Energy: 1.3024314087522637
Energy: 1.3053990667838262
Energy: 1.2589335621408955
Energy: 1.3053990667826763
Energy: 1.339056853928298
Energy: 1.365905950928896
Energy: 1.2595903476327768
Energy: 1.3659059509291587
Energy: 1.2963963045730018
Energy: 1.3183001456880292
Energy: 1.3395696833783493
Energy: 1.3183001456886205
Energy: 1.3399362737230953
Energy: 1.2835841807327226
Energy: 1.3263915133732376
Energy: 1.28358418073246
Energy: 1.3247758845532545
Energy: 1.348343961191806
Energy: 1.2979602160323163
Energy: 1.3483439611915105

minimum gb energy = 1.2585085507052134 eV
minimum distance =  2.2600469845406 Angstroms
sigma value = 5


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

Energy: 1.720578933351697
Energy: 1.484721427025729
Energy: 1.4873295284272445
Energy: 1.268757403824004
Energy: 1.5031827667197302
Energy: 1.286422135261418
Energy: 1.4236613051177511
Energy: 1.286422135251798
Energy: 1.4236216594316247
Energy: 1.3758813017876346
Energy: 1.431854696781327
Energy: 1.375881301786833
Energy: 1.3183079001803595
Energy: 1.2871954888194455
Energy: 1.5016501762196028
Energy: 1.2871954888202473
Energy: 1.4069329017775958
Energy: 1.287548563644474
Energy: 1.478574966703446
Energy: 1.2875485636452755
Energy: 1.2883276328432811
Energy: 1.2868096359449994
Energy: 1.5157261432238802
Energy: 1.2868096359449994
Energy: 1.2883933804051528
Energy: 1.287561504368086
Energy: 1.5029600458249222
Energy: 1.2875615043664825
Energy: 1.2924247631418824
Energy: 1.3135654768170046
Energy: 1.4968127518478405
Energy: 1.3135654768178062
Energy: 1.4706220512974
Energy: 1.3139943555844025
Energy: 1.4906020159962514
Energy: 1.3139943555836007
Energy: 1.516864208381484
Energy: 1.2609499745159822
Energy: 1.271831878343446
Energy: 1.260949974516784
Energy: 1.5046844734879068
Energy: 1.2686501307901827
Energy: 1.273465595582776
Energy: 1.2686501307901827
Energy: 1.6306135188733515
Energy: 1.2579114391450286
Energy: 1.2607066996337912
Energy: 1.257911439146632
Energy: 1.6424854259681338
Energy: 1.2581378734654607
Energy: 1.4981673734400778
Energy: 1.2581378734638575
Energy: 1.5026010707689041
Energy: 1.3084710809301747
Energy: 1.4799649906778614
Energy: 1.3084710809301747
Energy: 1.2887391550677634
Energy: 1.2880585042676815
Energy: 1.425119234643028
Energy: 1.2880585042684833
Energy: 1.2996521199327276
Energy: 1.2886102802470674
Energy: 1.501344607009052
Energy: 1.2886102802462656
Energy: 1.2906847747895898
Energy: 1.2876442992113866
Energy: 1.3154203134266433
Energy: 1.287644299210585
Energy: 1.425757398416519
Energy: 1.2876254494760861
Energy: 1.5135014406549514
Energy: 1.287625449472078
Energy: 1.4355180779854169
Energy: 1.2861760635126729
Energy: 1.4249176435837303
Energy: 1.2861760635118715
Energy: 1.4637347165098153
Energy: 1.287491114717878
Energy: 1.3137924422648894
Energy: 1.287491114717878
Energy: 1.4224938966421357
Energy: 1.3038542982874841
Energy: 1.4094557712111087
Energy: 1.3038542982874841
Energy: 1.4735879674240264
Energy: 1.2869991515796695
Energy: 1.28712862215197
Energy: 1.2869991515812729
Energy: 1.4997451901717382
Energy: 1.2873574297045745
Energy: 1.2912025150969617
Energy: 1.2873574297045745
Energy: 1.4923210191463805
Energy: 1.2924804702739063
Energy: 1.3019621365719094
Energy: 1.292480470272303
Energy: 1.4924082980053215
Energy: 1.310434860780057
Energy: 1.5050574595907587
Energy: 1.3104348607785268
Energy: 1.2576000276623691
Energy: 1.259351239711198
Energy: 1.5167420618543597
Energy: 1.259351239711198
Energy: 1.274662980931035
Energy: 1.2692292312991054
Energy: 1.4702914725837661
Energy: 1.2692292312991054
Energy: 1.2603585620309774
Energy: 1.2582391395157342
Energy: 1.4216114457688156
Energy: 1.2582391395157342
Energy: 1.257484522602983
Energy: 1.2585519365359183
Energy: 1.4902857420857185
Energy: 1.25855193653672
Energy: 1.4253088653381234
Energy: 1.3086359077457
Energy: 1.5041092892220285
Energy: 1.3086359077457
Energy: 1.4262192267487313
Energy: 1.2865063909245755
Energy: 1.2934087085846149
Energy: 1.286506390925377
Energy: 1.500001540114984
Energy: 1.2882751355606434
Energy: 1.2921458693763115
Energy: 1.28827513555904
Energy: 1.318055547057437
Energy: 1.2877320392939131
Energy: 1.2884171646718685
Energy: 1.2877320392931113

minimum gb energy = 1.257484522602983 eV
minimum distance =  2.22737580067864 Angstroms
sigma value = 1


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

Energy: 1.8215672788001376
Energy: 1.4651612491124606
Energy: 1.4678134193985661
Energy: 1.2175755866096338
Energy: 1.4279924103882524
Energy: 1.2285242731690578
Energy: 1.420622541123081
Energy: 1.2285242731679493
Energy: 1.4213151334361027
Energy: 1.3396657948990098
Energy: 1.4267003982001103
Energy: 1.3396657948990098
Energy: 1.2610409087667922
Energy: 1.2276936973314705
Energy: 1.461593444284556
Energy: 1.2276936973314705
Energy: 1.3970603025850117
Energy: 1.2277243912402003
Energy: 1.4184087632341884
Energy: 1.2277243912390918
Energy: 1.2276949385976752
Energy: 1.2282256609124274
Energy: 1.417808703203617
Energy: 1.2282256609135358
Energy: 1.2266690728946967
Energy: 1.227689452462374
Energy: 1.425346287639912
Energy: 1.227689452462374
Energy: 1.2285042531979447
Energy: 1.2655672189648353
Energy: 1.532085744574095
Energy: 1.2655672189648353
Energy: 1.4262465750405768
Energy: 1.2680074280119518
Energy: 1.530131598260335
Energy: 1.26800742801306
Energy: 1.5387484411406456
Energy: 1.2655894974920967
Energy: 1.2287615616521248
Energy: 1.2655894974920967
Energy: 1.4259881269275771
Energy: 1.2281698546475082
Energy: 1.2274460728787573
Energy: 1.2281698546475082
Energy: 1.527921303466262
Energy: 1.2291027903714178
Energy: 1.2283843474759997
Energy: 1.2291027903703091
Energy: 1.5297205026136662
Energy: 1.2277332843033384
Energy: 1.396271771481695
Energy: 1.227733284307772
Energy: 1.4635878954526242
Energy: 1.2279160876285964
Energy: 1.4243011499651543
Energy: 1.2279160876263795
Energy: 1.2652044230959842
Energy: 1.3428547957102555
Energy: 1.421466701251058
Energy: 1.342854795709147
Energy: 1.2551224840644384
Energy: 1.2277481616878347
Energy: 1.4253412354915924
Energy: 1.2277481616878347
Energy: 1.2446414763351785
Energy: 1.229335935153988
Energy: 1.4198194960136616
Energy: 1.2293359351517712
Energy: 1.2406282849361856
Energy: 1.2408965847838556
Energy: 1.4218308949490213
Energy: 1.2408965847838556
Energy: 1.227151781415613
Energy: 1.2286532649259625
Energy: 1.5317368198846437
Energy: 1.228653264927071
Energy: 1.2285208517505892
Energy: 1.2662741764276237
Energy: 1.5309304169787445
Energy: 1.2662741764276237
Energy: 1.4179899102867373
Energy: 1.2657887846025961
Energy: 1.4243463221857033
Energy: 1.2657887846003792
Energy: 1.4203323620169668
Energy: 1.397903998497162
Energy: 1.2300406670027448
Energy: 1.3979039984960535
Energy: 1.5688097152195535
Energy: 1.2280918901889355
Energy: 1.2303671455802094
Energy: 1.2280918901889355
Energy: 1.5289828103816003
Energy: 1.2282462784201302
Energy: 1.2284823642805407
Energy: 1.2282462784190218

minimum gb energy = 1.2175755866096338 eV
minimum distance =  2.22791299428567 Angstroms
sigma value = 17


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

Energy: 1.932584412884436
Energy: 1.4784489099733682
Energy: 1.4831459641073088
Energy: 1.2131016319977148
Energy: 1.4324041965151582
Energy: 1.217787189212525
Energy: 1.3819162326667636
Energy: 1.2177871892617895
Energy: 1.5071709465444454
Energy: 1.2167634214757008
Energy: 1.3973667151827436
Energy: 1.2167634214750154
Energy: 1.5550857222167973
Energy: 1.1978207143738866
Energy: 1.3779920591011923
Energy: 1.1978207143732011
Energy: 1.5234897994997525
Energy: 1.1973506603789914
Energy: 1.6088485676984234
Energy: 1.1973506603769364
Energy: 1.200115466600033
Energy: 1.197249001397253
Energy: 1.5826471315970154
Energy: 1.1972490013958825
Energy: 1.199502867937748
Energy: 1.197477333636711
Energy: 1.3477381968172346
Energy: 1.197477333638766
Energy: 1.2079770349098495
Energy: 1.1990358451192635
Energy: 1.632063935311795
Energy: 1.1990358451178935
Energy: 1.532908507126421
Energy: 1.2018774811894828
Energy: 1.5059610590693122
Energy: 1.2018774811894828
Energy: 1.4022337971434296
Energy: 1.198099916582149
Energy: 1.3414309585069872
Energy: 1.1980999165814639
Energy: 1.5248049342372894
Energy: 1.2223810770713655
Energy: 1.2330393531862316
Energy: 1.222381077073421
Energy: 1.5810888632115185
Energy: 1.2341166356992757
Energy: 1.3276135631257995
Energy: 1.234116635701331
Energy: 1.5781912734309842
Energy: 1.2175395930778745
Energy: 1.2194698073771923
Energy: 1.2175395930778745
Energy: 1.4592401193892006
Energy: 1.217069726966839
Energy: 1.2209985725245416
Energy: 1.217069726966154
Energy: 1.5468008386902563
Energy: 1.2202302324487164
Energy: 1.2272737731844168
Energy: 1.2202302324487164
Energy: 1.6306861576794458
Energy: 1.2418334829863196
Energy: 1.653574668213682
Energy: 1.2418334829849496
Energy: 1.2236567124757636
Energy: 1.2480002631448195
Energy: 1.7511916884638603
Energy: 1.248000263142764
Energy: 1.2270076368464637
Energy: 1.2174739726052053
Energy: 1.5290118062101081
Energy: 1.2174739726045205
Energy: 1.2610379731222798
Energy: 1.2194574000360736
Energy: 1.505319802770529
Energy: 1.2194574000367588
Energy: 1.2288689004050066
Energy: 1.2179749075903956
Energy: 1.932631835690765
Energy: 1.2179749075890252
Energy: 1.3810872972450894
Energy: 1.2172628009835889
Energy: 1.4555601051250981
Energy: 1.2172628009829662
Energy: 1.3990696602165718
Energy: 1.405768097848282
Energy: 1.5507540279347816
Energy: 1.405768097849652
Energy: 1.3839153144363634
Energy: 1.197670172341009
Energy: 1.5494311435163302
Energy: 1.197670172340324
Energy: 1.613383659134486
Energy: 1.1980148829827113
Energy: 1.3257007594811991
Energy: 1.1980148829833963
Energy: 1.5808913752117704
Energy: 1.1974182913734475
Energy: 1.1982881188554522
Energy: 1.1974182913748175
Energy: 1.3424084681753845
Energy: 1.1976319542970963
Energy: 1.2048497966023304
Energy: 1.1976319542977811
Energy: 1.9327255465757105
Energy: 1.1991175175945632
Energy: 1.2122234639121598
Energy: 1.199117517593878
Energy: 1.5055087738408481
Energy: 1.201563839996418
Energy: 1.5334731946385636
Energy: 1.201563839996418
Energy: 1.344999191677022
Energy: 1.4065294061705738
Energy: 1.405323987719863
Energy: 1.4065294061698883
Energy: 1.2353225133984598
Energy: 1.218029921035696
Energy: 1.5227683646718342
Energy: 1.218029921036381
Energy: 1.3261072906202136
Energy: 1.2161969859752684
Energy: 1.5859174036231296
Energy: 1.2161969859745834
Energy: 1.2171863839932076
Energy: 1.2171417217944431
Energy: 1.589224609204664
Energy: 1.2171417217951284
Energy: 1.217255936757142
Energy: 1.2178292285096457
Energy: 1.6466605873454037
Energy: 1.2178292285089607
Energy: 1.234238703748994
Energy: 1.2186382468296841
Energy: 1.5494544305380946
Energy: 1.2186382468296841
Energy: 1.5712456920152547
Energy: 1.250547344640687
Energy: 1.6464240265840389
Energy: 1.2505473446400017
Energy: 1.7525647652504515
Energy: 1.2480661193243678
Energy: 1.2222107192002936
Energy: 1.248066119326423
Energy: 1.570878194925223
Energy: 1.216578667477031
Energy: 1.218379378089163
Energy: 1.2165786674763457
Energy: 1.5058225545147261
Energy: 1.2341426647920652
Energy: 1.2193689391611449
Energy: 1.2341426647927503

minimum gb energy = 1.1972490013958825 eV
minimum distance =  2.22073329435052 Angstroms
sigma value = 89


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

Energy: 2.01020372287543
Energy: 1.4063693318198116
Energy: 1.4132522494648871
Energy: 1.1606703576884188
Energy: 1.4362933574737433
Energy: 1.1044386257988141
Energy: 1.410530829763379
Energy: 1.1044386257988141
Energy: 1.0927388735499728
Energy: 1.3211725677592412
Energy: 1.4305892916868572
Energy: 1.3211725677592412
Energy: 1.0976734271585977
Energy: 1.1038548151746432
Energy: 1.2051303955268622
Energy: 1.103854815172851
Energy: 1.1347586449792813
Energy: 1.3124554844031353
Energy: 1.4232053236558189
Energy: 1.3124554844013427
Energy: 1.104253839469099
Energy: 1.3139940862455581
Energy: 1.4215169941912773
Energy: 1.3139940862473103
Energy: 1.1044298529828456
Energy: 1.1017821701791264
Energy: 1.2034983450654477
Energy: 1.101782170180919
Energy: 1.102683321980479
Energy: 1.1041624250833575
Energy: 1.7094946460999907
Energy: 1.1041624250797721
Energy: 1.1388415807440893
Energy: 1.104422083549617
Energy: 1.708657718679114
Energy: 1.104422083549617
Energy: 1.4279126343108839
Energy: 1.3203629150707896
Energy: 1.4366854131425808
Energy: 1.3203629150689973
Energy: 1.203510534659941
Energy: 1.188283701291312
Energy: 1.0918034392531577
Energy: 1.1882837012859342
Energy: 1.4211776384920547
Energy: 1.311958001490341
Energy: 1.135284941189424
Energy: 1.3119580014885486
Energy: 1.4244350239852817
Energy: 1.1017159579075686
Energy: 1.1036252135368902
Energy: 1.1017159579075686
Energy: 1.2115723942675154
Energy: 1.1015064909943648
Energy: 1.1011806362713223
Energy: 1.1015064909943648
Energy: 1.7068043474132553
Energy: 1.1013278626224356
Energy: 1.1041629341039365
Energy: 1.1013278626224356

minimum gb energy = 1.0918034392531577 eV
minimum distance =  2.24329042526263 Angstroms
sigma value = 13


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

Energy: 1.7574329576146432
Energy: 1.4146318550018682
Energy: 1.4177079270440114
Energy: 1.115024128687839
Energy: 1.5582868528049938
Energy: 1.0802909253461461
Energy: 1.2609451939868936
Energy: 1.0802909253446433
Energy: 1.6649853066889537
Energy: 1.0799051364871812
Energy: 1.239120713594365
Energy: 1.0799051364901864
Energy: 1.3780663945263387
Energy: 1.140848523946102
Energy: 1.2667049466120388
Energy: 1.1408485239468533
Energy: 1.5426577196395137
Energy: 1.1352435269796255
Energy: 1.534668888866671
Energy: 1.1352435269811283
Energy: 1.2628317450303772
Energy: 1.081703263817895
Energy: 1.5511926861101573
Energy: 1.0817032638186463
Energy: 1.254665892563773
Energy: 1.079506311765187
Energy: 1.5788255739919081
Energy: 1.0795063117644355
Energy: 1.2154242369378159
Energy: 1.0803713009618792
Energy: 1.7386695775740153
Energy: 1.0803713009603766
Energy: 1.117249270871866
Energy: 1.0871839478934604
Energy: 1.7397826699887675
Energy: 1.0871839478919578
Energy: 1.0815956637881814
Energy: 1.0805070517451936
Energy: 1.5376698411739078
Energy: 1.0805070517451936
Energy: 1.0795086890923042
Energy: 1.1228763787556093
Energy: 1.7578226250343123
Energy: 1.122876378736075
Energy: 1.5097989996843537
Energy: 1.0796973426551872
Energy: 1.565022946492862
Energy: 1.0796973426566898
Energy: 1.536521194191934
Energy: 1.3060669060529564
Energy: 1.5407633782463193
Energy: 1.306066906052205
Energy: 1.5881993334604605
Energy: 1.0801420970084035
Energy: 1.3794748121790052
Energy: 1.080142097009906
Energy: 1.7536527425074528
Energy: 1.0816530380760818
Energy: 1.4566534028243878
Energy: 1.0816530380775844
Energy: 1.7444081840462748
Energy: 1.080227422990589
Energy: 1.0875124460637737
Energy: 1.080227422990589
Energy: 1.5820752449750999
Energy: 1.080765925593965
Energy: 1.0821744773562316
Energy: 1.0807659255932136
Energy: 1.7594139308350096
Energy: 1.0805956845798839
Energy: 1.0936368168675525
Energy: 1.0805956845768785
Energy: 1.7992954862356525
Energy: 1.0845343717058518
Energy: 1.2206200533415044
Energy: 1.0845343717066032
Energy: 1.739257002135111
Energy: 1.0794802038464946
Energy: 1.2296917667631992
Energy: 1.0794802038570133
Energy: 1.374523419087228
Energy: 1.3369558913992645
Energy: 1.300580003162487
Energy: 1.3369558914015185
Energy: 1.5694113081101801
Energy: 1.1323446511053976
Energy: 1.5513598289865704
Energy: 1.1323446511099053
Energy: 1.2672777744152652
Energy: 1.0795291566570915
Energy: 1.534248294605541
Energy: 1.0795291566570915
Energy: 1.0809173170151258
Energy: 1.0808777633286217
Energy: 1.5839060285652726
Energy: 1.0808777633413942
Energy: 1.212112338732085
Energy: 1.0798917668904424
Energy: 1.7507801025993928
Energy: 1.079891766891945
Energy: 1.0839250413948287
Energy: 1.08035065123132
Energy: 1.7444121154874286
Energy: 1.0803506512275634
Energy: 1.0808974804246612
Energy: 1.0801177198180931
Energy: 1.755231510264508
Energy: 1.0801177198165905
Energy: 1.0799228202798652
Energy: 1.0822248832420618
Energy: 1.6963494115590054
Energy: 1.0822248832390564
Energy: 1.5052626241542268
Energy: 1.0798522709967073
Energy: 1.79921540086881
Energy: 1.079852270993019
Energy: 1.2285139463044992
Energy: 1.0801380368715834
Energy: 1.5425699443714243
Energy: 1.08013803687534
Energy: 1.54185619210126
Energy: 1.30532879443987
Energy: 1.375525632929256
Energy: 1.305328794435362
Energy: 1.730375736354682
Energy: 1.0807872220794679
Energy: 1.4909465593752909
Energy: 1.0807872220809704
Energy: 1.7366542771690634
Energy: 1.0811334522683693
Energy: 1.0963772464130952
Energy: 1.0811334522668667
Energy: 1.5896732953851964
Energy: 1.0800006173281964
Energy: 1.0813133333661948
Energy: 1.080000617329699
Energy: 1.788414269998403
Energy: 1.0800761207635439
Energy: 1.0849979838724735
Energy: 1.0800761207620413

minimum gb energy = 1.0794802038464946 eV
minimum distance =  2.23925944242147 Angstroms
sigma value = 37


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

Energy: 1.5045329881892509
Energy: 0.9941099525151096
Energy: 0.9960870018737121
Energy: 1.0732358530539556
Energy: 1.4749070601619758
Energy: 0.9922522533112793
Energy: 1.2638463782424292
Energy: 0.9922522533125718
Energy: 1.468176614954282
Energy: 0.9920678109124326
Energy: 1.2657827769480945
Energy: 0.9920678109124326
Energy: 1.5148427353638376
Energy: 1.0823299873840406
Energy: 1.2478359031068156
Energy: 1.0823299873840406
Energy: 1.4767204919326338
Energy: 1.0861772396443519
Energy: 1.2575878608736137
Energy: 1.0861772396430593
Energy: 0.9867236714293812
Energy: 0.9930615149309096
Energy: 1.4755028110844535
Energy: 0.9930615149309096
Energy: 0.9865483710937941
Energy: 0.9920012898026995
Energy: 1.4755227231145724
Energy: 0.9920012898014069
Energy: 1.071738202534057
Energy: 0.9933935226176994
Energy: 1.6682036242788356
Energy: 0.9933935226176994
Energy: 0.9922851637651139
Energy: 0.9929426419170159
Energy: 1.4685052512255348
Energy: 0.9929426419170159
Energy: 0.9956678383954557
Energy: 0.992256806737958
Energy: 1.4669563853437284
Energy: 0.992256806737958
Energy: 0.995739936667008
Energy: 1.0732358530526631
Energy: 1.5045329881892509
Energy: 0.9941099526843858
Energy: 1.2638463782424292
Energy: 0.9922522533125718
Energy: 1.4749070600379417
Energy: 0.9922522533112793
Energy: 1.2657827769480945
Energy: 0.9920678109137252
Energy: 1.468176614954282
Energy: 0.9920678109137252
Energy: 1.2478359031326687
Energy: 1.0823299873840406
Energy: 1.5148427353638376
Energy: 1.0823299873853334
Energy: 1.2575878608736137
Energy: 1.0861772396443519
Energy: 1.476720491931341
Energy: 1.0861772396443519
Energy: 1.4755028112575783
Energy: 0.9930615149309096
Energy: 0.9867236714280885
Energy: 0.9930615149309096
Energy: 1.4755227231145724
Energy: 0.9920012898026995
Energy: 0.9865483710937941
Energy: 0.9920012898039922
Energy: 1.6682036242788356
Energy: 0.9933935226176994
Energy: 1.071738202534057
Energy: 0.9933935226176994
Energy: 1.4685052512242422
Energy: 0.9929426419170159
Energy: 0.9922851637651139
Energy: 0.9929426419170159
Energy: 1.4669563853450212
Energy: 0.992256806737958
Energy: 0.9956678383954557
Energy: 0.992256806737958

minimum gb energy = 0.9865483710937941 eV
minimum distance =  2.2474493831904 Angstroms
sigma value = 25


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

Energy: 1.9978340859696346
Energy: 0.9663810005070486
Energy: 0.9161510494652018
Energy: 0.96769326481188
Energy: 1.6049906050775653
Energy: 0.9112021776614677
Energy: 1.1125661510856917
Energy: 0.9112021776604584
Energy: 1.6587268685739227
Energy: 0.910602809222711
Energy: 1.115261221870505
Energy: 0.910602809222711
Energy: 1.4229257939638684
Energy: 0.9117149256860972
Energy: 1.3138218603875753
Energy: 0.9117149256860972
Energy: 1.6000822860824282
Energy: 0.9818491361367611
Energy: 1.4714019005924373
Energy: 0.9818491361367611
Energy: 1.3944755934444746
Energy: 0.9827006183616579
Energy: 1.4688739473235322
Energy: 0.9827006183626673
Energy: 1.392656630241752
Energy: 0.9078691282930831
Energy: 1.4703525159120912
Energy: 0.9078691282940925
Energy: 1.2905284064277651
Energy: 0.9088115000766811
Energy: 1.535947431461165
Energy: 0.9088115000756717
Energy: 1.1110177287919611
Energy: 0.9107715346751727
Energy: 1.6072770071770694
Energy: 0.9107715346761821
Energy: 1.1140179552125735
Energy: 0.9109686216333526
Energy: 1.5880388852453247
Energy: 0.910968621632343
Energy: 1.006826923442213
Energy: 0.8961393653611274
Energy: 1.693164635382522
Energy: 0.8961393654165972
Energy: 1.0081954995855102
Energy: 0.9070647573352237
Energy: 1.5882684265494846
Energy: 0.9070647573342143
Energy: 1.0045361938324975
Energy: 0.8952141744569849
Energy: 1.5932808375379093
Energy: 0.8952141744590038
Energy: 1.191847171027403
Energy: 0.8980196288125577
Energy: 1.5876097966283875
Energy: 0.8980196288125577
Energy: 1.1962325993418275
Energy: 0.8950746984083108
Energy: 1.595580883364559
Energy: 0.8950746984083108
Energy: 1.1926540281128872
Energy: 0.895579477049633
Energy: 1.6547140970732002
Energy: 0.8955794770486237
Energy: 1.431661959765559
Energy: 0.8961716203679341
Energy: 1.6543681753249875
Energy: 0.8961716203689434
Energy: 1.1905008002842308
Energy: 0.9785196186743556
Energy: 1.4468421830523523
Energy: 0.978519618675365
Energy: 1.455988483613246
Energy: 0.9799133209861661
Energy: 1.3903783955076667
Energy: 0.979913320983138
Energy: 1.6021231934515117
Energy: 1.1035423663336668
Energy: 1.3830466508633317
Energy: 1.1035423663336668
Energy: 1.6952317436990771
Energy: 0.9113975089637978
Energy: 1.1178741824583778
Energy: 0.9113975094026934
Energy: 1.603837979615265
Energy: 0.9113069837738371
Energy: 0.9970634223537871
Energy: 0.9113069837748465
Energy: 1.6597552934749387
Energy: 0.9115364374323426
Energy: 1.1145663959815544
Energy: 0.9115364374323426
Energy: 1.5347889733348359
Energy: 0.9128277190703047
Energy: 0.9113522276955436
Energy: 0.9128277190703047
Energy: 1.5995523092098423
Energy: 0.9112112856495509
Energy: 0.9143235606424392
Energy: 0.9112112856505603
Energy: 1.6525057913264456
Energy: 0.9124745874889768
Energy: 0.9208091927030582
Energy: 0.9124745874889768

minimum gb energy = 0.8950746984083108 eV
minimum distance =  2.24229241236726 Angstroms
sigma value = 41


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

Energy: 2.034766103673397
Energy: 0.8730849563564781
Energy: 0.8284435463275759
Energy: 0.8879895590860735
Energy: 1.6582060874267606
Energy: 0.8211798812012061
Energy: 0.9847651120923349
Energy: 0.8211798812028613
Energy: 1.6510871312428865
Energy: 0.8193534026297637
Energy: 0.9854359527566774
Energy: 0.8193534026264537
Energy: 1.4204976796176154
Energy: 0.8212920509852137
Energy: 1.295620886841897
Energy: 0.8212920508189566
Energy: 1.654238398874294
Energy: 0.8291478150368725
Energy: 1.2926203223371158
Energy: 0.8291478150377001
Energy: 1.4226607044247241
Energy: 1.0481636729057175
Energy: 1.2806817697147939
Energy: 1.0481636729057175
Energy: 1.431050327262795
Energy: 0.8781621322719136
Energy: 1.5380781209142393
Energy: 0.8781621322719136
Energy: 1.2913825964780314
Energy: 0.8828058294667341
Energy: 1.2888740379329096
Energy: 0.8828058297156683
Energy: 1.1407145185605938
Energy: 0.8215151758432154
Energy: 1.53637296562932
Energy: 0.821515175844043
Energy: 1.141134620876623
Energy: 0.8210050131644656
Energy: 1.6581968451256632
Energy: 0.8210050131652932
Energy: 0.984074604855414
Energy: 0.8212339644625348
Energy: 1.800653637962269
Energy: 0.8212339645370119
Energy: 0.9782091408219372
Energy: 0.8211512389458051
Energy: 1.6535216711787732
Energy: 0.8211512389458051
Energy: 0.9905780449632177
Energy: 0.8207350398589074
Energy: 1.7601766626337751
Energy: 0.8207350398605625
Energy: 0.8210621155826181
Energy: 0.8231794797473497
Energy: 1.533372466456573
Energy: 0.8231794797481773
Energy: 0.8211036200904126
Energy: 0.8201371591534365
Energy: 1.6549260639012713
Energy: 0.820137159152609
Energy: 0.8317345590781305
Energy: 0.8218343749294443
Energy: 1.6542888493419825
Energy: 0.8218343749277893
Energy: 0.9931585808292825
Energy: 0.822462705878252
Energy: 1.6447772567478287
Energy: 0.8224627058757693
Energy: 0.9775259508100892
Energy: 0.8197312992557727
Energy: 1.6533512649343078
Energy: 0.8197312992524627
Energy: 0.9749793737935095
Energy: 0.8204378637677441
Energy: 1.4272393526865124
Energy: 0.8204378637693992
Energy: 1.2862972267253436
Energy: 0.8202534027676266
Energy: 1.424464702988231
Energy: 0.8202534027684542
Energy: 1.3502390667726494
Energy: 0.827978709628797
Energy: 1.5385337618386257
Energy: 0.8279787114932085
Energy: 1.288053346925495
Energy: 0.8824586658550011
Energy: 1.432723140115207
Energy: 0.8824586658550011
Energy: 1.537164442964261
Energy: 0.8775573653271832
Energy: 1.4200552438482108
Energy: 0.8775573653247005
Energy: 1.2868393300122787
Energy: 0.8824147947349656
Energy: 1.2879655192848058
Energy: 0.8824147947341382
Energy: 1.5411095351095045
Energy: 0.8266890937428553
Energy: 1.1306434259865872
Energy: 0.8266890937494001
Energy: 1.5392795645710873
Energy: 0.8209312558936768
Energy: 1.2816820284869184
Energy: 0.8209312558928491
Energy: 1.546974583713489
Energy: 0.8207183561724037
Energy: 0.9969065307776268
Energy: 0.8207183561748864
Energy: 1.6518840331976357
Energy: 0.8194260821172348
Energy: 0.9750513016951761
Energy: 0.8194260821172348
Energy: 1.5452400724818656
Energy: 0.8223067612279539
Energy: 0.9911213888104339
Energy: 0.8223067612271264
Energy: 1.5395082664153081
Energy: 0.8214346110610837
Energy: 0.8335405690190023
Energy: 0.8214346110635662
Energy: 1.6514373317986941
Energy: 0.8217591075040989
Energy: 0.8230057572056952
Energy: 0.8217591075040989
Energy: 1.6437151076001122
Energy: 0.8236760080950994
Energy: 0.8204849941441216
Energy: 0.8236760080975821

minimum gb energy = 0.8193534026264537 eV
minimum distance =  2.24414025400354 Angstroms
sigma value = 15


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

Energy: 1.7641571162818594
Energy: 0.8089193077834771
Energy: 0.764274781373131
Energy: 0.8221610029785545
Energy: 1.70521323407786
Energy: 0.7590185875359762
Energy: 0.8987530429008801
Energy: 0.7590185875345741
Energy: 1.6963077740787005
Energy: 0.7632888665733514
Energy: 0.9010572020136507
Energy: 0.7632888664899289
Energy: 1.5125631509061763
Energy: 0.759639188761998
Energy: 1.1749708968882342
Energy: 0.7596391887591939
Energy: 1.6033754077447546
Energy: 0.7649042069933412
Energy: 1.1589398466741727
Energy: 0.7649042069912381
Energy: 1.4896414510630038
Energy: 0.7601660205853613
Energy: 1.1544815214173596
Energy: 0.7601660205804542
Energy: 1.290330919301318
Energy: 0.979946566104989
Energy: 1.3929817362584385
Energy: 0.979946566104989
Energy: 1.4048012055119057
Energy: 0.8099786765946743
Energy: 1.1583011109668464
Energy: 0.8099786765568188
Energy: 1.2869492885146223
Energy: 1.1506389787618994
Energy: 1.385155592413825
Energy: 1.1506389787626006
Energy: 1.2843864324065868
Energy: 1.1094469955607367
Energy: 1.5878032043070378
Energy: 1.1094469955614377
Energy: 1.1605295433103948
Energy: 0.7691544700667576
Energy: 1.5719139227423808
Energy: 0.7691544700632524
Energy: 1.0225714350840762
Energy: 0.7619986290958751
Energy: 1.587533486391334
Energy: 0.761998652337282
Energy: 1.1574186228665813
Energy: 0.7686338179240948
Energy: 1.590599216116251
Energy: 0.7686338179233939
Energy: 0.8951290017134301
Energy: 0.7594775501830525
Energy: 1.4026214815004294
Energy: 0.7594775501865577
Energy: 0.8899633835431484
Energy: 0.761829576514138
Energy: 1.6933544521672435
Energy: 0.761829576516942
Energy: 0.9005014044666078
Energy: 0.7594516462310944
Energy: 1.5964214389437825
Energy: 0.7594516462324965
Energy: 0.7810670858736882
Energy: 0.7607912671779364
Energy: 1.6022053395421991
Energy: 0.7607912671751323
Energy: 0.7590321838227082
Energy: 0.7581278462125778
Energy: 1.6937571682597234
Energy: 0.7581278462132789
Energy: 0.7784233655296714
Energy: 0.7606615922414169
Energy: 1.4958183641066614
Energy: 0.7606615922407161
Energy: 0.9046382917135506
Energy: 0.7600413535997853
Energy: 1.700689444464008
Energy: 0.7600413536046926
Energy: 0.8879653666003241
Energy: 0.7614082923964022
Energy: 1.6959986856321403
Energy: 0.7614082934720355
Energy: 0.9126412301796072
Energy: 0.759614948955211
Energy: 1.4995210920936277
Energy: 0.759614948955211
Energy: 1.1575998313900213
Energy: 0.7670198686530832
Energy: 1.4856594546380386
Energy: 0.7670198686537842
Energy: 1.157261804954912
Energy: 0.7637214465989605
Energy: 1.5905545164297021
Energy: 0.7637214466199913
Energy: 1.1704993633903902
Energy: 0.7602650271022963
Energy: 1.3779632237465125
Energy: 0.7602650271015952
Energy: 1.3876590327903109
Energy: 1.1091375574469473
Energy: 1.5002821725230107
Energy: 1.1091375574490503
Energy: 1.157445719237002
Energy: 1.1459365287541379
Energy: 1.3878392555158219
Energy: 1.1459365287548389
Energy: 1.399634101545186
Energy: 0.8106341141495954
Energy: 1.3796430349478226
Energy: 0.8106341142336551
Energy: 1.3934559934139932
Energy: 0.9795241096170737
Energy: 1.3903781991553779
Energy: 0.9795241096170737
Energy: 1.3877363549923238
Energy: 0.7684386585732035
Energy: 1.162865977013967
Energy: 0.7684386585732035
Energy: 1.600707888061711
Energy: 0.7644398442471347
Energy: 1.0218029396078785
Energy: 0.7644398442183925
Energy: 1.3982874157603986
Energy: 0.7593027387303096
Energy: 1.173378406314361
Energy: 0.7593027387429281
Energy: 1.5919710846034787
Energy: 0.758920095545612
Energy: 0.898864996824423
Energy: 0.7589200955470141
Energy: 1.702382910007897
Energy: 0.7587887071158745
Energy: 0.8971778330495203
Energy: 0.7587887071144724
Energy: 1.5876372189878003
Energy: 0.7611685396781724
Energy: 0.7903101069906934
Energy: 0.7611685396795744
Energy: 1.6993573603453431
Energy: 0.7595881501789452
Energy: 0.766300785940534
Energy: 0.7595881501789452
Energy: 1.6918158076917957
Energy: 0.758901923744772
Energy: 0.7621420032628827
Energy: 0.75890192374337

minimum gb energy = 0.7581278462125778 eV
minimum distance =  2.24422260902095 Angstroms
sigma value = 85


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

Energy: 1.887401984755058
Energy: 0.7294496485438051
Energy: 0.6867821500133862
Energy: 0.7351692541650323
Energy: 1.61554158819031
Energy: 0.6882105712139203
Energy: 0.7979513974904042
Energy: 0.6882105712139203
Energy: 1.5194359321723219
Energy: 0.6870043149708733
Energy: 0.7976987348337561
Energy: 0.6870043149714812
Energy: 1.3318710416010762
Energy: 0.6873421667861778
Energy: 1.0384240869223074
Energy: 0.6873421667861778
Energy: 1.6128865991753418
Energy: 0.6887980880042338
Energy: 1.0370797048457019
Energy: 0.6887980879981538
Energy: 1.3338203776220434
Energy: 0.686927885464785
Energy: 1.0398264154350132
Energy: 0.6869278854520169
Energy: 1.3321803687341143
Energy: 0.6889024150149571
Energy: 1.2447930685389734
Energy: 0.6889024150095129
Energy: 1.4292592729162512
Energy: 0.689122705966968
Energy: 1.0643897980381805
Energy: 0.6891227123390405
Energy: 1.3328378435395398
Energy: 1.0584911788551385
Energy: 1.2463752267872628
Energy: 1.0584911788551385
Energy: 1.3376702465707102
Energy: 1.0572030702833717
Energy: 1.428102549928273
Energy: 1.0572030702839519
Energy: 1.245016031226712
Energy: 0.8988527935712255
Energy: 1.381755419317029
Energy: 0.8988527935724414
Energy: 1.1594798257384746
Energy: 0.6890638597943092
Energy: 1.4295201414164485
Energy: 0.6890638602525505
Energy: 1.2440561381665274
Energy: 0.6887937853668568
Energy: 1.4270065277019415
Energy: 0.6887937853978374
Energy: 1.0400883265116896
Energy: 0.6894239581300626
Energy: 1.24253058574341
Energy: 0.6894239581300626
Energy: 0.9094941741410799
Energy: 0.6868478887770374
Energy: 1.6126288093050745
Energy: 0.6868478887770374
Energy: 1.0365146468882547
Energy: 0.689041630677525
Energy: 1.4279161464619883
Energy: 0.6890416306769169
Energy: 0.8062100940685688
Energy: 0.6874575948709172
Energy: 1.4262572601492551
Energy: 0.6874575948709172
Energy: 0.7985503528220395
Energy: 0.6880283619635202
Energy: 1.7059704001870706
Energy: 0.6880283619659521
Energy: 0.8020804155032206
Energy: 0.6891253241054255
Energy: 1.6083589436122163
Energy: 0.6891253241054255
Energy: 0.6883704519307728
Energy: 0.6894174525196578
Energy: 1.6080808842743235
Energy: 0.6894174525196578
Energy: 0.6890716208843138
Energy: 0.6872350532770869
Energy: 1.706639223476139
Energy: 0.6872350532770869
Energy: 0.6873296277544456
Energy: 0.689681291044703
Energy: 1.5174079291389528
Energy: 0.6896812910398391
Energy: 0.8116237945891046
Energy: 0.6880181818809058
Energy: 1.6979652650618622
Energy: 0.6880181818815138
Energy: 0.8027844552520284
Energy: 0.6893466377791941
Energy: 1.7122010982212001
Energy: 0.6893466377846662
Energy: 0.8016543823774698
Energy: 0.687801369853644
Energy: 1.332209949634612
Energy: 0.687801369846348
Energy: 1.0371124386819244
Energy: 0.689492325624978
Energy: 1.7055543068368688
Energy: 0.689492325624978
Energy: 1.0377210565001893
Energy: 0.6878037792422543
Energy: 1.5197559945029577
Energy: 0.6878037792428623
Energy: 1.038616396917467
Energy: 0.688019862589392
Energy: 1.3351849797727142
Energy: 0.6880198626799293
Energy: 1.2479947739048285
Energy: 0.6885312828029487
Energy: 1.5322836542661415
Energy: 0.6885312832642301
Energy: 1.2453005708853981
Energy: 1.0464307274046845
Energy: 1.3334498025633785
Energy: 1.0464307274046845
Energy: 1.430638779969839
Energy: 1.055059150380171
Energy: 1.1582490264285452
Energy: 1.0550591503807791
Energy: 1.242935310937013
Energy: 1.0552995049208431
Energy: 1.3553233293776425
Energy: 1.0552995049208431
Energy: 1.4288468696989152
Energy: 0.8927308348890516
Energy: 1.1524897698289125
Energy: 0.8927308348890516
Energy: 1.5330524498409035
Energy: 0.6888031474907969
Energy: 1.154523366472112
Energy: 0.6888031474980929
Energy: 1.380422948494093
Energy: 0.6879366163259368
Energy: 1.0388137254513266
Energy: 0.6879366164432261
Energy: 1.6130296480301025
Energy: 0.6877551292893475
Energy: 1.0375551645187986
Energy: 0.6877551292899555
Energy: 1.6124825928439015
Energy: 0.6887058992806944
Energy: 1.0376496574334235
Energy: 0.6887058992813023
Energy: 1.4257507855584721
Energy: 0.6876005329005255
Energy: 0.802669394524141
Energy: 0.6876005328999176
Energy: 1.7089203860219446
Energy: 0.6885713186348958
Energy: 0.8010431856754586
Energy: 0.6885713186355039
Energy: 1.607895831165212
Energy: 0.6881574546364063
Energy: 0.8059822244123636
Energy: 0.6881574546364063
Energy: 1.4240046698414464
Energy: 0.6899800753120658
Energy: 0.69171466875543
Energy: 0.6899800753126738
Energy: 1.707001029495238
Energy: 0.6873534197650634
Energy: 0.688313511593691
Energy: 0.6873534197650634
Energy: 1.5161716119701851
Energy: 0.6890491330309041
Energy: 0.6873033139220336
Energy: 0.6890491330309041

minimum gb energy = 0.6867821500133862 eV
minimum distance =  2.24909522614425 Angstroms
sigma value = 113


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

Energy: 0.020466030332691707
Energy: 0.576348382614258
Energy: 1.2846352714302516
Energy: 0.021414925284725606
Energy: 0.8473262223153342
Energy: 0.13004543124692972
Energy: 0.8425595266149907
Energy: 0.1300454312464623
Energy: 0.02123084578340032
Energy: 0.12756718300133094
Energy: 0.8424400525805916
Energy: 0.12756718300179834
Energy: 0.023103374117785264
Energy: 0.12760305811542846
Energy: 0.8404267092092845
Energy: 0.12760305811542846
Energy: 0.844177467070919
Energy: 0.12747868607533655
Energy: 0.8451116440308667
Energy: 0.12747868607668683
Energy: 0.021092505862279717
Energy: 0.12713980647899503
Energy: 0.841651680633325
Energy: 0.12713980647899503

minimum gb energy = 0.020466030332691707 eV
minimum distance =  2.45898310144694 Angstroms
sigma value = 1