Model name: model_name=MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.889087237417698
cohesive_energy=3.910307542081986
mass=106.42
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=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-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: 0.013031028794123222
Energy: 0.013647404670761977
Energy: 0.9149621127914624
Energy: 0.09747114224614443
Energy: 0.013647404670761977
Energy: 0.9021017828077944
Energy: 0.09747114224614443
Energy: 0.9021017828814359
Energy: 0.9149621127903786
Energy: 0.09747114224668638
Energy: 0.013031028794123222
Energy: 0.013647404670761977
Energy: 0.09747114224668638
Energy: 0.9021017829915972
Energy: 0.013647404670761977
Energy: 0.9021017830827006

minimum gb energy = 0.013031028794123222 eV
minimum distance =  2.65188468461213 Angstroms
sigma value = 1


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

Energy: 1.7104727941898865
Energy: 1.1229607519281142
Energy: 1.2069851787163886
Energy: 1.2561897593935143
Energy: 1.2898515891441593
Energy: 1.693477688656
Energy: 1.180671004325497
Energy: 1.693477688656
Energy: 1.2045181254750916
Energy: 1.175210708042119
Energy: 1.800967486313499
Energy: 1.175210708042119
Energy: 1.2641371292773718
Energy: 1.6750482229302586
Energy: 1.2299411979951937
Energy: 1.6750482229302586
Energy: 1.5464144373280109
Energy: 1.1896799573226682
Energy: 1.1687456741343167
Energy: 1.189679957322011
Energy: 1.266548401149913
Energy: 1.6341176911744024
Energy: 1.2140824963720716
Energy: 1.6341176911730881
Energy: 1.2316728285954686
Energy: 1.1849038570275017
Energy: 1.4991958797615228
Energy: 1.1849038570275017
Energy: 1.2138523501315928
Energy: 1.6102880510384934
Energy: 1.175977313868042
Energy: 1.6102880510378361
Energy: 1.3175085528000456
Energy: 1.228716608595133
Energy: 1.394906217257921
Energy: 1.228716608595133
Energy: 1.1719873469668345
Energy: 1.5782670636256708
Energy: 1.2958666536618417
Energy: 1.578267063626328
Energy: 1.4777568743897582
Energy: 1.2626916367321817
Energy: 1.2818721049705115
Energy: 1.2626916367308672
Energy: 1.2672585179487899
Energy: 1.598147582842633
Energy: 1.2710061808288569
Energy: 1.5981475828419758
Energy: 1.1605667658041288
Energy: 1.2604462511693395
Energy: 1.6198742528910612
Energy: 1.2604462511693395
Energy: 1.2684886619343785
Energy: 1.5615465891829523
Energy: 1.2245842021357511
Energy: 1.5615465891829523
Energy: 1.6187433992366635
Energy: 1.1358748210421457
Energy: 1.2079660336466775
Energy: 1.1358748210421457
Energy: 1.1469953502441277
Energy: 1.6543201808312031
Energy: 1.2294847884240885
Energy: 1.6543201808318604
Energy: 1.1864818752283357
Energy: 1.1753760162582472
Energy: 1.8947849996841595
Energy: 1.1753760162582472
Energy: 1.1785603045217237
Energy: 1.6749827391253322
Energy: 1.2896793082615226
Energy: 1.6749827391227035
Energy: 1.8025134807901526
Energy: 1.175738296190546
Energy: 1.196408153226025
Energy: 1.1757382961918605
Energy: 1.4099460322205866
Energy: 1.6631667498029117
Energy: 1.172433233177584
Energy: 1.6631667498022544
Energy: 1.1747782308748944
Energy: 1.137033619473273
Energy: 1.6274512912693653
Energy: 1.1370336194515842
Energy: 1.0580383416434411
Energy: 1.6622787720707077
Energy: 1.1731681077015033
Energy: 1.6622787720713648
Energy: 1.4996255865855044
Energy: 1.184872209632518
Energy: 1.2210028038229142
Energy: 1.184872209632518
Energy: 1.172446523965021
Energy: 1.6132702087993722
Energy: 1.1348778170444256
Energy: 1.613270208798715
Energy: 1.381042608006631
Energy: 1.2275059137468394
Energy: 1.432629162721959
Energy: 1.2275059137468394
Energy: 1.2694018463750163
Energy: 1.5786817062815066
Energy: 1.1514537008955676
Energy: 1.5786817062815066
Energy: 1.2813867705200983
Energy: 1.2455244086276929
Energy: 1.4630892955309653
Energy: 1.2455244086290074
Energy: 1.2698133662055162
Energy: 1.5786112148204376
Energy: 1.2565371310186253
Energy: 1.5786112148204376
Energy: 1.666226005534709
Energy: 1.284233322216292
Energy: 1.1080096433668292
Energy: 1.284233322216292
Energy: 1.3615042902642143
Energy: 1.3742548891941122
Energy: 1.2728739449638136
Energy: 1.3742548891908262
Energy: 1.2028008318306713
Energy: 1.2495849104416517
Energy: 1.6991107093171767
Energy: 1.2495849104409944
Energy: 1.2282845939358364
Energy: 1.399713944442839
Energy: 1.0855652548693604
Energy: 1.3997139444421818
Energy: 1.9515384384330745
Energy: 1.1749977012451323
Energy: 1.1869574494544322
Energy: 1.1749977012457895

minimum gb energy = 1.0580383416434411 eV
minimum distance =  2.50626499996633 Angstroms
sigma value = 1


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

Energy: 1.8245294107247685
Energy: 1.1926606533321704
Energy: 1.310732872975379
Energy: 1.3466824055668192
Energy: 1.419423218078799
Energy: 1.7078134006129877
Energy: 1.2547295849126983
Energy: 1.707813400611489
Energy: 1.2743439819324933
Energy: 1.2306171844760732
Energy: 1.7276545801632257
Energy: 1.230617184473825
Energy: 1.2828670143064471
Energy: 1.6831691157831026
Energy: 1.3166074395483127
Energy: 1.6831691157846014
Energy: 1.6755409805128498
Energy: 1.264360559286979
Energy: 1.2448417582651738
Energy: 1.2643605592884777
Energy: 1.248026119238916
Energy: 1.6602778682178054
Energy: 1.1096009155557782
Energy: 1.6602778682178054
Energy: 1.3274017863234238
Energy: 1.2629865092286083
Energy: 1.4006810261190703
Energy: 1.2629865092286083
Energy: 1.1967275916036886
Energy: 1.6478402528979945
Energy: 1.2493405230860009
Energy: 1.6478402528979945
Energy: 1.4024866023466864
Energy: 1.336707738442659
Energy: 1.376399355443054
Energy: 1.3367077384419102
Energy: 1.1383511920205844
Energy: 1.6330460888666989
Energy: 1.3585427349298722
Energy: 1.633046088868198
Energy: 1.5271108983363513
Energy: 1.3402357414178065
Energy: 1.187405353438739
Energy: 1.340235741417057
Energy: 1.340522243450257
Energy: 1.6352484859047334
Energy: 1.2936447937379694
Energy: 1.6352484859062322
Energy: 1.2476868453214076
Energy: 1.2061937608047337
Energy: 1.6269301015603317
Energy: 1.2061937608047337
Energy: 1.3161861773193684
Energy: 1.678949955258246
Energy: 1.3036890498836151
Energy: 1.678949955258246
Energy: 1.8263061120016582
Energy: 1.3287727442043777
Energy: 1.2647096883863862
Energy: 1.3287727442066262
Energy: 1.384780025987722
Energy: 1.684806483269233
Energy: 1.254668507689658
Energy: 1.6848064832684837
Energy: 1.2726903082434278
Energy: 1.231267999886429
Energy: 1.8204042525295825
Energy: 1.2312679998879277
Energy: 1.2500364732198668
Energy: 1.685736269144563
Energy: 1.3880737953130338
Energy: 1.6857362691453124
Energy: 1.6761830902035357
Energy: 1.2069463328992656
Energy: 1.2559475070609545
Energy: 1.2069463328992656
Energy: 1.2477826588648517
Energy: 1.6870810731878856
Energy: 1.122121811823946
Energy: 1.6870810731856374
Energy: 1.3134699860606744
Energy: 1.2616182558930233
Energy: 1.5247116027358047
Energy: 1.2616182558915243
Energy: 1.2751383069243118
Energy: 1.6148013984749976
Energy: 1.248274562545862
Energy: 1.614801398477995
Energy: 1.4020855799272947
Energy: 1.3108594661586526
Energy: 1.3751438907724962
Energy: 1.3108594661609003
Energy: 1.1396753508192523
Energy: 1.6337824116360697
Energy: 1.3392955386464558
Energy: 1.6337824116383177
Energy: 1.5817995273084604
Energy: 1.3902489847489847
Energy: 1.1864519091006371
Energy: 1.3902489847497344
Energy: 1.3633428051997456
Energy: 1.4221742737136587
Energy: 1.2926331322821312
Energy: 1.4221742737136587
Energy: 1.212177467282131
Energy: 1.307578381203896
Energy: 1.619112038020356
Energy: 1.307578381203896
Energy: 1.3160185596846128
Energy: 1.447364036203756
Energy: 1.303957548384478
Energy: 1.4473640362030067
Energy: 1.9332193432626334
Energy: 1.2058324806616956
Energy: 1.2654426573763156
Energy: 1.2058324806601968

minimum gb energy = 1.1096009155557782 eV
minimum distance =  2.4582325491924 Angstroms
sigma value = 25


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

Energy: 1.7232109749940436
Energy: 1.2750704649806903
Energy: 1.4023120035692072
Energy: 1.4561326428128096
Energy: 1.5416795476521
Energy: 1.715668627707368
Energy: 1.342803029518339
Energy: 1.715668627706497
Energy: 1.2426881342799345
Energy: 1.3151702072575049
Energy: 1.8878842024967573
Energy: 1.315170207259247
Energy: 1.3835106543952118
Energy: 1.7014271080519079
Energy: 1.3380944754099948
Energy: 1.7014271080510368
Energy: 1.56293636594562
Energy: 1.3488795334539858
Energy: 1.2572146086158584
Energy: 1.3488795334539858
Energy: 1.336287624909718
Energy: 1.6897485732179207
Energy: 1.2268496600399101
Energy: 1.6897485732170499
Energy: 1.4446319783841821
Energy: 1.3531133842570289
Energy: 1.3360648515221905
Energy: 1.3531133842570289
Energy: 1.240947112794774
Energy: 1.6575056794932392
Energy: 1.3384806530175501
Energy: 1.6575056794932392
Energy: 1.2836237511425057
Energy: 1.4412803227040314
Energy: 1.4823249773651137
Energy: 1.4412803227040314
Energy: 1.388124674007805
Energy: 1.5928169464507742
Energy: 1.515175186581214
Energy: 1.5928169464507742
Energy: 1.7286351602252064
Energy: 1.2614723276860533
Energy: 1.2382484433011918
Energy: 1.2614723276860533
Energy: 1.3824509450843605
Energy: 1.486777310840976
Energy: 1.4187030848021474
Energy: 1.4867773108401443
Energy: 1.352841172387893
Energy: 1.4340862409943074
Energy: 1.7263885152515335
Energy: 1.4340862409951785
Energy: 1.3754294181983437
Energy: 1.7305307053832701
Energy: 1.5418521300158272
Energy: 1.7305307053823988
Energy: 1.7270110011618873
Energy: 1.3145345727834161
Energy: 1.3340759455123843
Energy: 1.314534572782545
Energy: 1.4155408208230342
Energy: 1.770595217747756
Energy: 1.3450502703035379
Energy: 1.770595217747756
Energy: 1.3394785686185673
Energy: 1.2885847375397497
Energy: 1.5642935391293074
Energy: 1.2885847375397497
Energy: 1.1984526098427015
Energy: 1.6818029885757173
Energy: 1.3359680840555284
Energy: 1.6818029885748464
Energy: 1.4858664203521021
Energy: 1.351269141670733
Energy: 1.446108920187149
Energy: 1.351269141670733
Energy: 1.2094111246928936
Energy: 1.6586713146894068
Energy: 1.3939471332422964
Energy: 1.6586713146894068
Energy: 1.5325503466195927
Energy: 1.4410830972251438
Energy: 1.2846403893051639
Energy: 1.4410830972251438
Energy: 1.5210937576554726
Energy: 1.4794844105614195
Energy: 1.2549250726218704
Energy: 1.4794844105614195
Energy: 1.3047108603901465
Energy: 1.4229673345041924
Energy: 1.8754609773500688
Energy: 1.4229673345033216
Energy: 1.4192717291907375
Energy: 1.536970488303794
Energy: 1.205434596497841
Energy: 1.536970488303794
Energy: 1.852081428339011
Energy: 1.2856183454925068
Energy: 1.3534462620864678
Energy: 1.2856183454916355

minimum gb energy = 1.1984526098427015 eV
minimum distance =  2.45644600836321 Angstroms
sigma value = 9


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

Energy: 1.5695671031906473
Energy: 1.2914112502834574
Energy: 1.5098949203294811
Energy: 1.4109745493881651
Energy: 1.5373906091146663
Energy: 1.8288486175620156
Energy: 1.4429006749480877
Energy: 1.8288486175620156
Energy: 1.320313833051839
Energy: 1.4106491338441067
Energy: 1.8516146882491287
Energy: 1.410649133845146
Energy: 1.5431842379674678
Energy: 1.7815189769491446
Energy: 1.4429609643626218
Energy: 1.7815189769501838
Energy: 1.4084663873262098
Energy: 1.3790371162772719
Energy: 1.3510165767753388
Energy: 1.3790371162772719
Energy: 1.439288329843108
Energy: 1.7738745927191266
Energy: 1.5878880969390592
Energy: 1.7738745927201658
Energy: 1.308305971041616
Energy: 1.4646702338242128
Energy: 1.411869849660682
Energy: 1.4646702338242128
Energy: 1.4114270782866765
Energy: 1.6525953629816685
Energy: 1.3338995246108019
Energy: 1.652595362982708
Energy: 1.2046177680048271
Energy: 1.3450041390840979
Energy: 1.5742274500021043
Energy: 1.345004139083059
Energy: 1.5469638022762455
Energy: 1.8003526686329638
Energy: 1.6689339955887372
Energy: 1.8003526686319247
Energy: 1.6394870304838036
Energy: 1.4717927421053492
Energy: 1.5099553870548876
Energy: 1.471792742094957
Energy: 1.7294259272464498
Energy: 1.8457839911479754
Energy: 1.4856085327790953
Energy: 1.8457839911479754
Energy: 1.4306359295340556
Energy: 1.4113105367471193
Energy: 1.8533714431926722
Energy: 1.4113105367481584
Energy: 1.3498451715341884
Energy: 1.8706469030958188
Energy: 1.5715837110181479
Energy: 1.8706469030958188
Energy: 1.4699889371632038
Energy: 1.380533781468175
Energy: 1.3513199936064317
Energy: 1.380533781468175
Energy: 1.4387329672853333
Energy: 1.6527556368611531
Energy: 1.3302714280244214
Energy: 1.652755636860114
Energy: 1.4078000683265746
Energy: 1.4618252204108342
Energy: 1.4115037940838369
Energy: 1.4618252204108342
Energy: 1.405844282161359
Energy: 1.5533577791206612
Energy: 1.3344369426004847
Energy: 1.553357779119622
Energy: 1.2290036947959295
Energy: 1.4726267423700747
Energy: 1.7634425810722218
Energy: 1.4726267423700747
Energy: 1.4244033864308718
Energy: 1.8179700288547602
Energy: 1.7340993718565718
Energy: 1.8179700288526819
Energy: 1.7186599025346003
Energy: 1.338796863171366
Energy: 1.4588508187497065
Energy: 1.3387968631703266

minimum gb energy = 1.2046177680048271 eV
minimum distance =  2.45937543962858 Angstroms
sigma value = 25


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

Energy: 1.881581958484578
Energy: 1.365945579801812
Energy: 1.6312153460652492
Energy: 1.532194302198146
Energy: 1.528799464651075
Energy: 1.8052294317978943
Energy: 1.5285922956818303
Energy: 1.8052294317978943
Energy: 1.3914358424240172
Energy: 1.5208418620377886
Energy: 1.6658061762960128
Energy: 1.5208418620377886
Energy: 1.3911276871911011
Energy: 1.8896829694519783
Energy: 1.5306507027159717
Energy: 1.8896829694519783
Energy: 1.5512747088887122
Energy: 1.5311643633529142
Energy: 1.5897544803281733
Energy: 1.5311643633529142
Energy: 1.4612372984652864
Energy: 1.885245073687525
Energy: 1.5404770156708443
Energy: 1.885245073687525
Energy: 1.350646137972977
Energy: 1.5373510495432865
Energy: 1.2701528979056365
Energy: 1.5373510495432865
Energy: 1.590805220033949
Energy: 1.8150012010291603
Energy: 1.5276113890964687
Energy: 1.8150012010278749
Energy: 1.6320850717885516
Energy: 1.6582581583572187
Energy: 2.066982286731446
Energy: 1.6582581583572187
Energy: 1.5881361324751302
Energy: 1.8409860953879778
Energy: 1.5292305473500034
Energy: 1.8409860953879778
Energy: 1.6672262348901292
Energy: 1.520680549940112
Energy: 1.5340254800664617
Energy: 1.520680549940112
Energy: 1.769295887644336
Energy: 1.889778025271163
Energy: 1.3918159240873076
Energy: 1.8897780252698775
Energy: 1.5928367413016895
Energy: 1.4713957121323558
Energy: 1.5785518187365088
Energy: 1.4713957121323558
Energy: 1.4454747902558882
Energy: 1.6551128665659653
Energy: 1.4622043123076016
Energy: 1.6551128665659653
Energy: 1.2684043434251273
Energy: 1.5149702800646856
Energy: 1.5898118592859112
Energy: 1.5149702800646856
Energy: 1.4774789618280215
Energy: 1.7559185957749421
Energy: 1.589121276475062
Energy: 1.7559185957749421
Energy: 2.1440870160053622
Energy: 1.772854708715727
Energy: 1.442874576581052
Energy: 1.772854708715727

minimum gb energy = 1.2684043434251273 eV
minimum distance =  2.4404540359243 Angstroms
sigma value = 17


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

Energy: 1.8925675364962675
Energy: 1.762493958229044
Energy: 1.7271842835750024
Energy: 1.7776955113477286
Energy: 1.6676176203922544
Energy: 1.8371328530914344
Energy: 1.6756874907199446
Energy: 1.8371328530914344
Energy: 1.559635299259035
Energy: 1.607362207178452
Energy: 1.7119644692476288
Energy: 1.6073622071791798
Energy: 1.6698254180903154
Energy: 1.8482518890056236
Energy: 1.5839659203272347
Energy: 1.8482518890070792
Energy: 1.410295285675859
Energy: 1.562994704423878
Energy: 1.3958835403575116
Energy: 1.562994704423878
Energy: 1.583785731067647
Energy: 1.875538151342737
Energy: 1.6773602747762058
Energy: 1.875538151342737
Energy: 1.655535454995185
Energy: 1.713574771094025
Energy: 1.4622171633018992
Energy: 1.7135747710932971
Energy: 1.8305211523846803
Energy: 1.885532053152879
Energy: 1.6701631231436607
Energy: 1.885532053152879
Energy: 1.6759281344173365
Energy: 1.710113321678565
Energy: 1.766090623081426
Energy: 1.7101133217163798
Energy: 1.5511575106161155
Energy: 1.7095485939037935
Energy: 1.6755791328695568
Energy: 1.7095485939030657
Energy: 1.4547181101814037
Energy: 1.5437943213895524
Energy: 1.5876430730939772
Energy: 1.5437943213895524
Energy: 1.5705793255136011
Energy: 1.628710916629127
Energy: 1.4463298149413757
Energy: 1.628710916629127
Energy: 1.7645977079475716
Energy: 1.5554765478637251
Energy: 1.3157745233434106
Energy: 1.5554765478637251
Energy: 1.7616863027448053
Energy: 1.8119218904356496
Energy: 1.606518696954864
Energy: 1.8119218904349217
Energy: 1.6372253050640644
Energy: 1.7730814519216975
Energy: 2.0403976585544146
Energy: 1.77308145192097
Energy: 1.6917917998716812
Energy: 2.083518025010489
Energy: 2.03823568075306
Energy: 2.083518025009761
Energy: 1.914503550645184
Energy: 1.9979308952714363
Energy: 1.630391500088085
Energy: 1.9979308952714363
Energy: 1.8896542517995205
Energy: 1.519705315122928
Energy: 1.402102175189087
Energy: 1.519705315122928
Energy: 1.6002136821287964
Energy: 1.8143156892574022
Energy: 1.638522385308836
Energy: 1.8143156892566743
Energy: 1.3319398674053267
Energy: 1.650477303352043
Energy: 1.6902577095400195
Energy: 1.6504773033513152
Energy: 1.394841974156607
Energy: 1.8078016627930047
Energy: 1.5751019849235635
Energy: 1.8078016627922768
Energy: 1.613676210421931
Energy: 1.5164905231756671
Energy: 1.5826717344122991
Energy: 1.5164905231742112
Energy: 1.6570690334491442
Energy: 1.8373675073297069
Energy: 1.674749426034181
Energy: 1.8373675073297069
Energy: 1.7125774130739106
Energy: 1.7000003652397548
Energy: 1.6057612460628428
Energy: 1.7000003549918496
Energy: 1.641629587114806
Energy: 1.8775825697345894
Energy: 1.813039671120083
Energy: 1.8775825697345894
Energy: 1.3585339870132398
Energy: 1.5935763606110984
Energy: 1.5947996499998789
Energy: 1.5935763606110984
Energy: 1.550780627722096
Energy: 1.9614763358707947
Energy: 1.5716050648121127
Energy: 1.9614763358700669
Energy: 1.359766119918833
Energy: 1.4916104029755255
Energy: 1.5315664511563776
Energy: 1.4916104029755255
Energy: 1.56887288683331
Energy: 1.7727127591528666
Energy: 1.8270694171351751
Energy: 1.7727127591528666
Energy: 1.8937265702860986
Energy: 1.799474390271697
Energy: 1.7028634985230306
Energy: 1.7994743902724248

minimum gb energy = 1.3157745233434106 eV
minimum distance =  2.46067246346027 Angstroms
sigma value = 53


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

Energy: 1.6825930311846278
Energy: 1.403066785902935
Energy: 1.6512879389705972
Energy: 1.628791603264156
Energy: 1.6525143879556012
Energy: 1.7063010554303728
Energy: 1.7843622931664698
Energy: 1.7063010554320484
Energy: 1.4528717457832663
Energy: 1.7874217501490783
Energy: 1.401992205291307
Energy: 1.7874217501490783
Energy: 1.6290683536565738
Energy: 1.8026230361477005
Energy: 1.7827614576031299
Energy: 1.8026230361477005
Energy: 1.4082907272808605
Energy: 1.4203305545193303
Energy: 1.233703535470066
Energy: 1.4203305545193303
Energy: 1.474184862648055
Energy: 1.7834432425031153
Energy: 1.2580619967325213
Energy: 1.783443242499764
Energy: 1.8005641454006795
Energy: 1.7277741071111654
Energy: 1.5198466598643996
Energy: 1.7277741071078143
Energy: 1.917335200360892
Energy: 1.870212360999234
Energy: 1.813009729712736
Energy: 1.870212360999234
Energy: 1.4535596599583822
Energy: 2.005013965562211
Energy: 1.50943709132038
Energy: 2.005013965563887
Energy: 1.4216081858445038
Energy: 1.9159331142761011
Energy: 1.6669579592590784
Energy: 1.915933114277777
Energy: 1.4063711959597498
Energy: 1.4244591487063885
Energy: 1.4306850666425013
Energy: 1.4244591487063885
Energy: 1.4281563301507543
Energy: 1.7014615348903606
Energy: 1.231304179312493
Energy: 1.7014615348903606
Energy: 1.9163552806395274
Energy: 1.810971227536637
Energy: 1.5212419452939312
Energy: 1.810971227539988

minimum gb energy = 1.231304179312493 eV
minimum distance =  2.45234631798915 Angstroms
sigma value = 9


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

Energy: 1.616614282749276
Energy: 1.7401794803265629
Energy: 1.7807026971185438
Energy: 1.8318954129598053
Energy: 1.8658166597210384
Energy: 1.8169974594981764
Energy: 1.8688393923057705
Energy: 1.816997459497556
Energy: 1.5275023279468194
Energy: 1.691178316290196
Energy: 1.5067395875201293
Energy: 1.6911783162920564
Energy: 1.5064921688983999
Energy: 1.706804630145104
Energy: 1.8552679646293804
Energy: 1.7068046301457245
Energy: 1.4198214730457266
Energy: 1.6648925525116995
Energy: 1.798940832623858
Energy: 1.6648925525123197
Energy: 1.753918176147476
Energy: 1.8449989820384827
Energy: 1.8576221384929181
Energy: 1.8449989820391028
Energy: 1.8186417030104596
Energy: 2.097647828296196
Energy: 1.8064331385858625
Energy: 2.097647828296196
Energy: 1.9876223050691835
Energy: 1.9273054084500227
Energy: 1.7415047752688864
Energy: 1.9273054084500227
Energy: 1.598151018423376
Energy: 1.8025817221842269
Energy: 1.5023180606676052
Energy: 1.8025817221842269
Energy: 1.4355113921936467
Energy: 1.6956732659799916
Energy: 1.7282872905419033
Energy: 1.695673265980612
Energy: 1.4801055544037023
Energy: 1.656928417248342
Energy: 1.9254214364279885
Energy: 1.6569284172489622
Energy: 1.741850729589704
Energy: 1.949081547260114
Energy: 1.6211399308420347
Energy: 1.9490815472606777
Energy: 1.965596122906976
Energy: 1.884745628250632
Energy: 1.7609589196987074
Energy: 1.8847456282493915
Energy: 1.8216128542732328
Energy: 1.7775556697154786
Energy: 1.4890064746186722
Energy: 1.7775556697173391
Energy: 1.827307399044041
Energy: 1.8350669817562208
Energy: 1.577801123039829
Energy: 1.8350669817574614
Energy: 1.3954828266051034
Energy: 1.6788852362829298
Energy: 1.5860009423335393
Energy: 1.6788852362823101
Energy: 1.7196122135023981
Energy: 1.8722404761693057
Energy: 1.8211195184562488
Energy: 1.8722404761686857
Energy: 1.7339968398969094
Energy: 2.009718499313712
Energy: 1.6178897012847153
Energy: 2.0097184993428603
Energy: 1.8768560872926652
Energy: 1.8179831274688527
Energy: 1.9359864357361056
Energy: 1.8179831274682328
Energy: 1.505493722236454
Energy: 1.7517399815138408
Energy: 1.5275169133989195
Energy: 1.751739981514461
Energy: 1.8739027733121265
Energy: 1.6771662034932981
Energy: 1.439897795218641
Energy: 1.6771662034914376
Energy: 1.8006743476831788
Energy: 1.6023923842960246
Energy: 1.3855393437284724
Energy: 1.6023923842954044
Energy: 1.6999240730842464
Energy: 1.9359296711729204
Energy: 1.7539785520000721
Energy: 1.935929671174161
Energy: 1.8380731256393303
Energy: 2.1387208179233905
Energy: 1.9093007754358444
Energy: 2.1387208179072656
Energy: 1.7399060209397759
Energy: 1.906384938087989
Energy: 2.06315108379259
Energy: 1.906384938087989
Energy: 1.5010342829466956
Energy: 1.8480759597795662
Energy: 1.5654290497797583
Energy: 1.8480759597801866
Energy: 1.7387302956189157
Energy: 1.667533200522063
Energy: 1.2758735110777724
Energy: 1.667533200522683
Energy: 1.9247047307420115
Energy: 1.6499100909122613
Energy: 1.5300032517756508
Energy: 1.6499100909110207
Energy: 1.6187384342659135
Energy: 1.6803647605196566
Energy: 1.7265318764830626
Energy: 1.680364760520277
Energy: 1.8256891072971184
Energy: 1.7798199053871102
Energy: 1.962812042533738
Energy: 1.7798199053858696
Energy: 1.4900985795106265
Energy: 1.8840145238623425
Energy: 1.719990997083655
Energy: 1.8840145238629624
Energy: 1.576270247933398
Energy: 1.8232922848605804
Energy: 1.7994367612686908
Energy: 1.8232922848605804
Energy: 1.3092429224121174
Energy: 1.700487946292738
Energy: 1.4411459328299407
Energy: 1.7004879462933582
Energy: 1.8210601340410644
Energy: 1.7727084726789621
Energy: 1.816421452863895
Energy: 1.772708472679582
Energy: 1.6192293119189527
Energy: 2.0334586821256346
Energy: 1.7344440307795856
Energy: 2.0334586821243947

minimum gb energy = 1.2758735110777724 eV
minimum distance =  2.40322033332692 Angstroms
sigma value = 73


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

Energy: 1.6802070838327494
Energy: 1.9702085939188152
Energy: 1.756226962855296
Energy: 1.9775237477369914
Energy: 2.0108746374595454
Energy: 1.873891070476434
Energy: 1.9688269813979933
Energy: 1.873891070476434
Energy: 1.4612267008101862
Energy: 1.7444479419189718
Energy: 1.4488060774596392
Energy: 1.7444479419189718
Energy: 1.4667311433900707
Energy: 1.7286432463211727
Energy: 1.8513487198642908
Energy: 1.7286432463211727
Energy: 1.352858103638645
Energy: 1.746159155881984
Energy: 1.8365826850378588
Energy: 1.7461591558810001
Energy: 1.7756621314853043
Energy: 1.859376653153244
Energy: 1.8502389102654186
Energy: 1.859376653153244
Energy: 1.9990381503836316
Energy: 2.0027266393175283
Energy: 1.8127634995910036
Energy: 2.0027266393175283
Energy: 1.8080161298086648
Energy: 1.9241379784297568
Energy: 1.7885046839130068
Energy: 1.9241379784287729
Energy: 1.8030698721016287
Energy: 1.6627540401811778
Energy: 1.5402511696303613
Energy: 1.6627540401811778
Energy: 1.3828893801587603
Energy: 1.713239096707732
Energy: 1.7704112048653249
Energy: 1.7132390967087159
Energy: 1.5755304274746122
Energy: 1.7157281124990884
Energy: 1.991431672460417
Energy: 1.7157281124990884
Energy: 1.6497584847025082
Energy: 1.9930775657844852
Energy: 1.529019323753924
Energy: 1.9930775657844852
Energy: 1.7945575603267991
Energy: 1.8280907402375202
Energy: 1.6985026220523098
Energy: 1.828090740238504
Energy: 1.4499401635508744
Energy: 1.6791229851911191
Energy: 1.504259494503448
Energy: 1.679122985192103
Energy: 1.7888468635984869
Energy: 1.7210433328234886
Energy: 1.4813206078813965
Energy: 1.7210433328234886
Energy: 1.6876864663110882
Energy: 1.7965848591722546
Energy: 1.6455232145900496
Energy: 1.7965848591722546
Energy: 1.8479353307713768
Energy: 1.9042334293458547
Energy: 1.8312962234936525
Energy: 1.9042334293458547
Energy: 1.7883739277068487
Energy: 2.0387498828791357
Energy: 1.9954095970298475
Energy: 2.0387498828791357
Energy: 1.783796683418166
Energy: 1.733196135123256
Energy: 1.9364561917795073
Energy: 1.733196135123256
Energy: 1.4677791094052657
Energy: 1.659187852853349
Energy: 1.8108071115141127
Energy: 1.659187852853349
Energy: 1.7305259773805415
Energy: 1.713596712049526
Energy: 1.349670457204432
Energy: 1.7135967120672373
Energy: 2.027331400035209
Energy: 1.8391502079514346
Energy: 1.6565397862274982
Energy: 1.8391502079504507

minimum gb energy = 1.349670457204432 eV
minimum distance =  2.44817770461676 Angstroms
sigma value = 7


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

Energy: 2.000367726853417
Energy: 1.9865457825516468
Energy: 1.7907015650693308
Energy: 1.9784808207966025
Energy: 1.8683856101591592
Energy: 1.8034049271543708
Energy: 1.9388727941978479
Energy: 1.8034049271536754
Energy: 1.5330798653208757
Energy: 1.7568324767235672
Energy: 1.46100118108974
Energy: 1.7568324767235672
Energy: 1.4285098975809751
Energy: 1.6486368705790844
Energy: 1.786463458700339
Energy: 1.6486368705797798
Energy: 1.5313889764059914
Energy: 1.7891416640242452
Energy: 1.8042121236739233
Energy: 1.7891416640235493
Energy: 1.7818489358324596
Energy: 1.919619782238197
Energy: 1.8623541064354332
Energy: 1.9196197822395886
Energy: 1.7830972344797698
Energy: 1.9420714005717707
Energy: 1.7157812730747473
Energy: 1.942071400571075
Energy: 1.9431287828483341
Energy: 1.608578537941512
Energy: 1.5079853659664286
Energy: 1.608578537941512
Energy: 1.7684797384084863
Energy: 1.635576234269116
Energy: 1.3732674496159936
Energy: 1.6355762342705074
Energy: 1.5584776529496818
Energy: 1.8198323464036048
Energy: 1.6806491236425454
Energy: 1.8198323464029091
Energy: 1.929163033330763
Energy: 1.9642079508795494
Energy: 2.1204303058739185
Energy: 1.9642079508795494
Energy: 1.7174149039272717
Energy: 2.039535003507501
Energy: 1.7784067522422695
Energy: 2.0395350035061095
Energy: 1.702844224130839
Energy: 1.684437104922262
Energy: 1.663178161278172
Energy: 1.6844371049236535
Energy: 1.4484115004211242
Energy: 1.7132791143073756
Energy: 1.3322778599979217
Energy: 1.7132791143066797
Energy: 1.8457417155267308
Energy: 1.7999665071431654
Energy: 1.5015225357983941
Energy: 1.799966507144557
Energy: 1.8903075708207366
Energy: 1.902710665037482
Energy: 1.6365963694973225
Energy: 1.9027106650367864
Energy: 2.035697070088883
Energy: 1.8093543750089918
Energy: 1.8210285907957204
Energy: 1.8093543750089918
Energy: 1.6062429486093592
Energy: 1.7357792531999472
Energy: 1.41483648201775
Energy: 1.7357792532013385
Energy: 1.45271501746878
Energy: 1.5870323337698218
Energy: 1.8657826241978277
Energy: 1.5870323337726049
Energy: 1.5070440489729242
Energy: 1.728735162067337
Energy: 2.127301234685611
Energy: 1.728735162067337
Energy: 1.6364580344154194
Energy: 1.9372402698877398
Energy: 1.6010854775993397
Energy: 1.9372402698891313
Energy: 1.8677314580011686
Energy: 1.8660888682342673
Energy: 1.7136083850778188
Energy: 1.8660888682335717
Energy: 1.905212770891117
Energy: 1.7479621504571872
Energy: 1.49817561921181
Energy: 1.747962150457883
Energy: 1.7408442221430025
Energy: 1.7839187893172515
Energy: 1.379076703816589
Energy: 1.78391878931586
Energy: 1.5604618444121494
Energy: 1.7127769965280817
Energy: 1.6227593697932357
Energy: 1.7127769965273858
Energy: 1.8757283834750451
Energy: 1.8587371274730597
Energy: 1.6717305706043997
Energy: 1.8587371274723643
Energy: 1.7631717562713882
Energy: 1.876122804559523
Energy: 1.7746134801356452
Energy: 1.8761228045602185
Energy: 1.7369976443971467
Energy: 1.7337290264206016
Energy: 1.711630395888039
Energy: 1.7337290264206016
Energy: 1.4019721320825387
Energy: 1.654804170185881
Energy: 1.6743178106247854
Energy: 1.654804170185881
Energy: 1.6857570777572546
Energy: 1.7777787751744456
Energy: 1.3704783488365329
Energy: 1.7777787751751415
Energy: 2.063466550214864
Energy: 1.8851318480615358
Energy: 1.7297994580882046
Energy: 1.8851318480622317

minimum gb energy = 1.3322778599979217 eV
minimum distance =  2.45703742169517 Angstroms
sigma value = 29


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

Energy: 1.0877280753532035
Energy: 1.4990925530231596
Energy: 1.4303159321342422
Energy: 1.6586386692480286
Energy: 1.4308665282913628
Energy: 1.6252011665308483
Energy: 1.505554899656268
Energy: 1.6252011665306327
Energy: 1.4913563699695456
Energy: 1.6610626657692154
Energy: 1.4158491180277253
Energy: 1.6610626657697
Energy: 1.4782633035235955
Energy: 1.1093531510581454
Energy: 1.4328628827009147
Energy: 1.1093531510576606
Energy: 1.4272763293343393
Energy: 1.6529700160724417
Energy: 1.0906348742972727
Energy: 1.6529700160731686
Energy: 1.4321986374497038
Energy: 1.5627458147013549
Energy: 1.0904563315088325
Energy: 1.5627458147015971
Energy: 1.0958971809566527
Energy: 1.563297332829785
Energy: 1.492477131665239
Energy: 1.563297332829785
Energy: 1.1844728538372744
Energy: 1.2643729103711814
Energy: 1.42778471938647
Energy: 1.2643729103733088
Energy: 1.4304686207944473
Energy: 1.6353119758434442
Energy: 1.1094343896093448
Energy: 1.6353119758434442

minimum gb energy = 1.0877280753532035 eV
minimum distance =  2.51538938179105 Angstroms
sigma value = 5


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

Energy: 1.5771958402999964
Energy: 1.8130075942822939
Energy: 1.7864248169502421
Energy: 1.91409550132368
Energy: 1.8648844175920802
Energy: 1.5990722861757733
Energy: 1.4576962808899443
Energy: 1.5990722861757733
Energy: 1.3964907642145188
Energy: 1.7005761176560705
Energy: 1.3122842834703337
Energy: 1.7005761176554133
Energy: 1.219070426228883
Energy: 1.6101625495962908
Energy: 1.6486800978701992
Energy: 1.6101625493059413
Energy: 1.8585383455721305
Energy: 1.831630204849977
Energy: 1.9665476503758428
Energy: 1.8316302048512916
Energy: 1.6515907310603266
Energy: 1.7003913172405276
Energy: 1.9505944712698844
Energy: 1.7003913172405276
Energy: 1.141879911076819
Energy: 1.6674383343106198
Energy: 1.7014686454563577
Energy: 1.6674383343125916
Energy: 1.2816302987284698
Energy: 1.7650262910657515
Energy: 1.6477800735589652
Energy: 1.7650262910657515
Energy: 1.8189999151156713
Energy: 1.7175834617532533
Energy: 1.7054408138933053
Energy: 1.7175834617532533
Energy: 1.3885859761949342
Energy: 1.8890648903556717
Energy: 1.6659759077139622
Energy: 1.8890648903550147
Energy: 1.7510851718294747
Energy: 1.7351039204857035
Energy: 1.156481162484078
Energy: 1.7351039204850465
Energy: 1.7639088150875775
Energy: 1.705091496675303
Energy: 1.306839745703623
Energy: 1.7050914966746458
Energy: 1.5840728155573016
Energy: 1.8688208360314331
Energy: 1.711489694161815
Energy: 1.8688208360314331
Energy: 1.6674801174760787
Energy: 1.7926586775373474
Energy: 1.3947487469703939
Energy: 1.7926586775366902
Energy: 1.2370538912653777
Energy: 1.697509905863818
Energy: 1.5485842469620044
Energy: 1.697509905863818
Energy: 1.2954193294414256
Energy: 1.7941492901310887
Energy: 1.7337796920538928
Energy: 1.7941492901304312
Energy: 1.756733702575042
Energy: 1.9494294576338207
Energy: 1.8898550348098881
Energy: 1.9494294576338207
Energy: 1.629176545833181
Energy: 1.544617331626781
Energy: 1.7958747587755444
Energy: 1.5446173316261238
Energy: 1.396842126052951
Energy: 1.6691664932968404
Energy: 1.3857376861669963
Energy: 1.6691664932974974
Energy: 1.6627565642932642
Energy: 1.6646342372063032
Energy: 1.2163830537026559
Energy: 1.6646342372063032
Energy: 1.946719170201503
Energy: 1.657442529540047
Energy: 1.8067104839442218
Energy: 1.6574425295407043
Energy: 1.7910632050563087
Energy: 1.844679335952822
Energy: 1.7413018227470423
Energy: 1.8446793359534792
Energy: 1.7396719503371418
Energy: 1.4893602238868255
Energy: 1.137579703173607
Energy: 1.489360223885511
Energy: 1.584549017548416
Energy: 1.6991581393202442
Energy: 1.3067457234386097
Energy: 1.6991581393182724
Energy: 1.7704993765126606
Energy: 1.8095548029064277
Energy: 1.8352737843846614
Energy: 1.809554802907085
Energy: 1.7317623335531587
Energy: 1.882139945188403
Energy: 1.3883998966358106
Energy: 1.882139945185774
Energy: 1.1519774315465463
Energy: 1.341236108205236
Energy: 1.7860439025001666
Energy: 1.3412361082045787
Energy: 1.2502782599425601
Energy: 1.4441398815478874
Energy: 1.9756738484898182
Energy: 1.4441398815452584
Energy: 1.665566543253584
Energy: 1.936226986709361
Energy: 1.5811889866800262
Energy: 1.9362269867113329
Energy: 1.6279613133885367
Energy: 1.8663888129315662
Energy: 1.719600950342973
Energy: 1.8663888129315662
Energy: 1.5760835855313218
Energy: 1.6954875230776456
Energy: 1.1433654478556667
Energy: 1.6954875230776456
Energy: 1.7649174708426265
Energy: 1.4695983638726018
Energy: 1.202674700852167
Energy: 1.469598363873259
Energy: 1.9997803150399271
Energy: 1.9519874768390875
Energy: 1.8211947091217822
Energy: 1.951987476840402

minimum gb energy = 1.137579703173607 eV
minimum distance =  2.39508578822926 Angstroms
sigma value = 1


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

Energy: 1.5650099282734282
Energy: 1.8876925054646154
Energy: 1.753646025589613
Energy: 1.9064359870345169
Energy: 1.985922127350654
Energy: 1.4911359529203319
Energy: 1.46891957547001
Energy: 1.4911359529112445
Energy: 1.4302991992362692
Energy: 1.6607466219710516
Energy: 1.3319897408252943
Energy: 1.6607466219701428
Energy: 1.0864476897422315
Energy: 1.7340870120253546
Energy: 1.6239723211804982
Energy: 1.7340870120253546
Energy: 1.8384529210847687
Energy: 1.7445395727963424
Energy: 1.9365035321836424
Energy: 1.7445395727954338
Energy: 1.4565513821149365
Energy: 1.739213315771747
Energy: 1.918799110331274
Energy: 1.739213315771747
Energy: 1.0995982506985034
Energy: 1.0757818626209734
Energy: 1.6680616840556328
Energy: 1.075781862619156
Energy: 1.1032478961970202
Energy: 1.8178268910854347
Energy: 1.5709775314774757
Energy: 1.8178268910854347
Energy: 1.9236309792908095
Energy: 1.8544470691545478
Energy: 1.758237990582901
Energy: 1.8544470691545478
Energy: 1.325109560506168
Energy: 1.8562981678906305
Energy: 1.5196824102310365
Energy: 1.856298167889722
Energy: 1.8569366148446649
Energy: 1.6365416947004343
Energy: 1.099539148294056
Energy: 1.6365416947004343
Energy: 1.7678443539491873
Energy: 1.6225843248410614
Energy: 1.4765950660976608
Energy: 1.622584324840153
Energy: 1.5699056834440255
Energy: 1.7308824937225236
Energy: 1.8291087205387224
Energy: 1.7308824937225236
Energy: 1.8711879379954675
Energy: 1.4431713396881178
Energy: 1.332504126521003
Energy: 1.443171339687209
Energy: 1.085288082034784
Energy: 1.599214885444328
Energy: 1.389262523159061
Energy: 1.599214885444328
Energy: 1.2516555606267226
Energy: 1.4564884239335851
Energy: 1.7431981270706518
Energy: 1.4564884239326763
Energy: 1.756212315354122
Energy: 1.971927344779809
Energy: 1.8540286019466803
Energy: 1.971927344779809
Energy: 1.288389603720519
Energy: 1.239557970493702
Energy: 1.8991640104240892
Energy: 1.2395579707716522
Energy: 1.1033257587835503
Energy: 1.3492172996924021
Energy: 1.833677590510291
Energy: 1.3492172996924021
Energy: 1.5982807129455763
Energy: 1.8607087192715348
Energy: 1.5703261646705384
Energy: 1.8607087192715348
Energy: 1.6039809259658462
Energy: 1.8083313191983286
Energy: 1.7570660067909543
Energy: 1.8083313191983286
Energy: 1.3260416801821127
Energy: 1.5978122229752632
Energy: 1.3880668717009301
Energy: 1.5978122229743543
Energy: 1.8904523020823678
Energy: 1.3958456704531117
Energy: 1.0736080484194939
Energy: 1.3958456704522029
Energy: 1.5694776259019656
Energy: 1.5748654886994806
Energy: 1.7577349961882753
Energy: 1.5748654886985716

minimum gb energy = 1.0736080484194939 eV
minimum distance =  2.4134197498061 Angstroms
sigma value = 17


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

Energy: 1.6614015237270983
Energy: 1.813050698478741
Energy: 1.7928358819011996
Energy: 1.9299620124173116
Energy: 2.032707763290684
Energy: 1.3385268145815492
Energy: 1.4498387174286382
Energy: 1.3385268145809877
Energy: 1.567195655227443
Energy: 1.611684187076068
Energy: 1.2139370856878626
Energy: 1.611684187076068
Energy: 1.3597794412231528
Energy: 1.7945297982624466
Energy: 1.6023167343607783
Energy: 1.7945297982613235
Energy: 1.8033349850210767
Energy: 1.8355580680456633
Energy: 1.63369075069563
Energy: 1.835558068046225
Energy: 1.1800622003857968
Energy: 1.60937612284942
Energy: 1.857522898113958
Energy: 1.6093761228499819
Energy: 1.0853005202773311
Energy: 1.5401815263745846
Energy: 1.9376741856168822
Energy: 1.5401815263751462
Energy: 1.232705504518977
Energy: 1.9058911538873713
Energy: 1.6657982946360201
Energy: 1.9058911538884946
Energy: 1.73345454327654
Energy: 1.6191445962033915
Energy: 1.9369845004490898
Energy: 1.619144596203953
Energy: 1.2086174624093353
Energy: 1.7766351812456385
Energy: 1.56130330095162
Energy: 1.7766351812456385
Energy: 1.7173193433740688
Energy: 1.4538818062176773
Energy: 1.0614202067930594
Energy: 1.4538818062171157
Energy: 1.940550900715055
Energy: 1.6660386582663291
Energy: 1.5735123563795095
Energy: 1.6660386582904811
Energy: 1.87946166464125
Energy: 1.5044307556385799
Energy: 1.442125924608472
Energy: 1.5044307556380183
Energy: 1.8558707779608836
Energy: 1.2637396667397207
Energy: 1.0578868310531957
Energy: 1.2637396667419674
Energy: 1.361899833013858
Energy: 1.6270181077173964
Energy: 1.0828719461629595
Energy: 1.6270181077173964
Energy: 1.7654692903773026
Energy: 1.7534836414717079
Energy: 1.9452140411941579
Energy: 1.7534836414717079
Energy: 1.5373659124191463
Energy: 1.9055780540378016
Energy: 1.5099226705277486
Energy: 1.9055780540383633
Energy: 1.074557578114803
Energy: 1.2836012405329915
Energy: 1.8499567777643662
Energy: 1.28360124053243
Energy: 1.2730601337889917
Energy: 1.0565458997715642
Energy: 2.0147154350253254
Energy: 1.0565458997777428
Energy: 1.8125351820151914
Energy: 2.0027237219830343
Energy: 1.662452267034025
Energy: 2.0027237219813494
Energy: 1.446601253401787
Energy: 1.340154864889633
Energy: 1.929682825652765
Energy: 1.340154864893565
Energy: 1.219169461739039
Energy: 1.6577354972749656
Energy: 1.4907155397398801
Energy: 1.6577354972744038
Energy: 1.9136699772196704
Energy: 1.7258789146234395
Energy: 1.3635138427050968
Energy: 1.725878914624001
Energy: 1.5129266517668283
Energy: 2.020923613872829
Energy: 1.767063912337358
Energy: 2.0209236138722675
Energy: 1.8784298793651455
Energy: 1.4178818017702028
Energy: 1.176704199671183
Energy: 1.4178818017707646
Energy: 1.9319506698784854
Energy: 1.5411932061206601
Energy: 1.0874540983633054
Energy: 1.5411932061223452
Energy: 1.6625722414724449
Energy: 1.907696935139893
Energy: 1.7412523777713018
Energy: 1.9076969351393314
Energy: 1.9888572900607788
Energy: 1.6485080741060474
Energy: 1.7343432678596564
Energy: 1.6485080741054854
Energy: 1.5582888375261625
Energy: 1.70278636343957
Energy: 1.2110116826198458
Energy: 1.7027863634401317
Energy: 1.0629531215954011
Energy: 1.3274381181930637
Energy: 1.7210279649193927
Energy: 1.3274381181958723
Energy: 1.7087948740187249
Energy: 1.6650213565577645
Energy: 1.966899019144388
Energy: 1.6650213565577645
Energy: 1.4345694495123358
Energy: 1.5038900266705675
Energy: 1.9170186482901739
Energy: 1.5038900266716397
Energy: 1.0723444071618615
Energy: 1.0635618927083408
Energy: 1.7450176913964015
Energy: 1.063561892707779
Energy: 1.0861896782932308
Energy: 1.6477529409878187
Energy: 1.358725181831485
Energy: 1.647752940988942
Energy: 1.9616811934316591
Energy: 1.7796576993268272
Energy: 1.8253764659829563
Energy: 1.7796576993268272
Energy: 1.5090277289322531
Energy: 1.7856160404036796
Energy: 1.5378071248529
Energy: 1.7856160403924464
Energy: 1.8508537679357489
Energy: 1.573644951774462
Energy: 1.0723681518793906
Energy: 1.5736449517739004
Energy: 1.965299682750567
Energy: 1.2471275974026714
Energy: 1.273668622933346
Energy: 1.247127597386383

minimum gb energy = 1.0565458997715642 eV
minimum distance =  2.47665065008395 Angstroms
sigma value = 89


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

Energy: 1.7446564178385686
Energy: 1.7999801577436043
Energy: 1.7576070128448198
Energy: 1.7905766178084548
Energy: 1.8601579594180868
Energy: 1.388058992159933
Energy: 1.3620750145004796
Energy: 1.3880589921614026
Energy: 0.9502527709837414
Energy: 1.5211684182613514
Energy: 1.400357034472309
Energy: 1.5211684182613514
Energy: 0.9503876171880677
Energy: 1.3381112562323563
Energy: 1.3653381213883522
Energy: 1.3381112562470525
Energy: 1.6878667475418674
Energy: 1.571250739164049
Energy: 1.3449230802500225
Energy: 1.5712507391655186
Energy: 1.2028205142307882
Energy: 1.5702751875355072
Energy: 1.3447215903688976
Energy: 1.5702751875340375
Energy: 0.9552433145760472
Energy: 0.9556491728099975
Energy: 1.8098056489175622
Energy: 0.9556491728099975
Energy: 0.9578056443450335
Energy: 1.9621560909991151
Energy: 1.8397994419115977
Energy: 1.9621560909991151
Energy: 1.4751835590426554
Energy: 1.3892620909992748
Energy: 1.7495757330987334
Energy: 1.3892620909992748
Energy: 1.3504952709501175
Energy: 1.730807012680089
Energy: 1.4074916927102503
Energy: 1.730807012681559
Energy: 1.3609179671707485
Energy: 1.4176083453976027
Energy: 0.9480082747845634
Energy: 1.4176083453976027
Energy: 1.5312115780257636
Energy: 1.6536649918723527
Energy: 1.563504535599736
Energy: 1.6536649918723527
Energy: 1.3937514456867395
Energy: 1.5715110606977971
Energy: 1.3395325063659507
Energy: 1.5715110606977971
Energy: 1.8370561223465225
Energy: 0.9552678798976707
Energy: 0.9541721414786474
Energy: 0.9552678798976707
Energy: 1.799491646626764
Energy: 1.1652074524935803
Energy: 0.9565633645676467
Energy: 1.1652074524935803

minimum gb energy = 0.9480082747845634 eV
minimum distance =  2.49567534351402 Angstroms
sigma value = 13


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

Energy: 1.5326119776736773
Energy: 1.7183348638145202
Energy: 1.7692082948121501
Energy: 1.8405714795532058
Energy: 1.9600923827421184
Energy: 1.1575069393662871
Energy: 1.285188271718757
Energy: 1.1575069393311765
Energy: 1.5961323178147433
Energy: 1.447903821578222
Energy: 1.0664182554346255
Energy: 1.447903821578838
Energy: 1.2001262179449474
Energy: 1.8773562167801416
Energy: 1.7970790345903278
Energy: 1.8773562167807578
Energy: 1.7772230145548211
Energy: 1.70860940901931
Energy: 1.3736017161723473
Energy: 1.70860940901931
Energy: 1.1108613675663321
Energy: 1.5165074379423225
Energy: 1.5067536957900807
Energy: 1.5165074379429384
Energy: 1.1075483456457393
Energy: 1.1591208654239769
Energy: 1.8936167887507946
Energy: 1.159120865324245
Energy: 1.42971547886505
Energy: 1.7890606556344013
Energy: 1.7354655567318409
Energy: 1.7890606556325535
Energy: 1.0332091343307466
Energy: 1.0249190393468175
Energy: 1.912668681739442
Energy: 1.024919039335114
Energy: 0.9273589724353275
Energy: 0.9279385529619381
Energy: 1.794191305359522
Energy: 0.927938552965018
Energy: 1.6721788284931116
Energy: 1.2737189481844158
Energy: 1.5329453764225391
Energy: 1.2737189481419136
Energy: 1.4445830038519993
Energy: 1.542692622135663
Energy: 1.8649393215153234
Energy: 1.5426926221368948
Energy: 1.3725271170982785
Energy: 1.5598529253163955
Energy: 1.5072781857635364
Energy: 1.5598529253163955
Energy: 1.7609601564402084
Energy: 1.6159620532166488
Energy: 1.2006094869075434
Energy: 1.6159620532209604
Energy: 1.8183553600559414
Energy: 1.5654061761640472
Energy: 1.653072330366828
Energy: 1.565406176168975
Energy: 1.7391435648902538
Energy: 1.268317478199753
Energy: 1.0215505035441148
Energy: 1.2683174781985211
Energy: 1.9118020362164552
Energy: 0.9237733408893022
Energy: 0.9278527037340659
Energy: 0.9237733408911502
Energy: 1.5345001867844188
Energy: 1.3492651554312574
Energy: 1.212872492315899
Energy: 1.3492651554478887
Energy: 1.860381521282744
Energy: 1.3321533581851943
Energy: 1.2861772928095647
Energy: 1.3321533581858103
Energy: 1.792615885097604
Energy: 1.493840640340094
Energy: 1.061567506265565
Energy: 1.4938406403419418
Energy: 1.1974417467015965
Energy: 1.855455033288229
Energy: 1.622391807341988
Energy: 1.855455033288229
Energy: 1.778367957320364
Energy: 1.6986577626689185
Energy: 1.5567743507093588
Energy: 1.6986577626683026
Energy: 1.3236183432468687
Energy: 1.5792138197760244
Energy: 1.4212025899860505
Energy: 1.5792138197754082
Energy: 0.9222779354637719
Energy: 1.1523441059926542
Energy: 1.8379373631715368
Energy: 1.15234410599327
Energy: 1.4253393255156368
Energy: 1.4291514952207631
Energy: 1.807243637358251
Energy: 1.4291514952207631
Energy: 1.2208619696875227
Energy: 1.4101129750806738
Energy: 1.8415652067793913
Energy: 1.4101129750843697
Energy: 0.9232941339310292
Energy: 0.922551184047079
Energy: 1.794535813315101
Energy: 0.9225511840464632
Energy: 1.2889590408387326
Energy: 1.4296568748039493
Energy: 1.5353292508907799
Energy: 1.4296568748255083
Energy: 1.6455596490783182
Energy: 1.546118780867091
Energy: 1.841228886710668
Energy: 1.546118780867091
Energy: 1.0606363978249862
Energy: 1.512252295147377
Energy: 1.5602306177157856
Energy: 1.5122522951467612
Energy: 1.6381079139978412
Energy: 1.5578716775886947
Energy: 1.1980110471199192
Energy: 1.5578716775874628
Energy: 1.709172272023347
Energy: 1.623996365810221
Energy: 1.6075131799046127
Energy: 1.6239963658114531
Energy: 1.7735459598591956
Energy: 1.2695093287905512
Energy: 1.0276395110111203
Energy: 1.2695093287936312
Energy: 1.9033205863830411
Energy: 0.9237604599012628
Energy: 0.923992735961245
Energy: 0.923760459899415
Energy: 2.0023753072894452
Energy: 1.1199657219690622
Energy: 1.1159238688674415
Energy: 1.1199657219721422

minimum gb energy = 0.9222779354637719 eV
minimum distance =  2.48612853974008 Angstroms
sigma value = 37


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

Energy: 1.3253366766626156
Energy: 0.8993124469367049
Energy: 1.421760793653496
Energy: 1.36496194994393
Energy: 1.8973777736715944
Energy: 1.2309924679544764
Energy: 1.14366320480785
Energy: 1.2309924679534168
Energy: 1.4279607648263006
Energy: 1.4682985070930201
Energy: 1.1461236103501828
Energy: 1.4682985070930201
Energy: 1.330342460522189
Energy: 1.6376185048895466
Energy: 1.760470517567124
Energy: 1.6376185048884868
Energy: 1.732840678791874
Energy: 1.7252754836423334
Energy: 1.0841255200740376
Energy: 1.7252754836423334
Energy: 1.1447552598304769
Energy: 1.2355391401893239
Energy: 1.344085856120575
Energy: 1.2355391401903835
Energy: 0.8418541869539772
Energy: 1.2296118645443437
Energy: 1.8179589369542521
Energy: 1.229611864543284
Energy: 1.4813434643258374
Energy: 1.4949422962618275
Energy: 1.6738789781520973
Energy: 1.4949422962618275
Energy: 1.0122354937371538
Energy: 1.3420984427649012
Energy: 1.686804789319089
Energy: 1.3420984427659608
Energy: 0.8470614906913484
Energy: 0.8463272985355298
Energy: 1.8384287694916548
Energy: 0.8463272985365896
Energy: 1.4215595504307572
Energy: 1.3649619499449899
Energy: 1.3253366766626156
Energy: 0.8993124469356452
Energy: 1.14366320480891
Energy: 1.2309924679534168
Energy: 1.897377773672654
Energy: 1.2309924679534168
Energy: 1.1461236103501828
Energy: 1.4682985070930201
Energy: 1.4279607648263006
Energy: 1.4682985070930201
Energy: 1.760470517566064
Energy: 1.6376185048884868
Energy: 1.330342460522189
Energy: 1.6376185048884868
Energy: 1.0841255200740376
Energy: 1.7252754836423334
Energy: 1.732840678791874
Energy: 1.7252754836423334
Energy: 1.344085856120575
Energy: 1.235539140188264
Energy: 1.1447552598325963
Energy: 1.2355391401861446
Energy: 1.8179589369542521
Energy: 1.229611864543284
Energy: 0.841854186955037
Energy: 1.2296118645443437
Energy: 1.6738789781520973
Energy: 1.4949422962618275
Energy: 1.4813434643607855
Energy: 1.4949422962618275
Energy: 1.686804789319089
Energy: 1.3420984427649012
Energy: 1.0122354937371538
Energy: 1.3420984427649012
Energy: 1.8384287694905952
Energy: 0.8463272985365896
Energy: 0.8470614906913484
Energy: 0.8463272985355298

minimum gb energy = 0.8418541869539772 eV
minimum distance =  2.48972545492728 Angstroms
sigma value = 25


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

Energy: 1.593316366082991
Energy: 0.8034533914977857
Energy: 0.9745752536878939
Energy: 1.3743247828365261
Energy: 1.8669083398545883
Energy: 1.0740427999528164
Energy: 0.9944977071306944
Energy: 1.0740427999519888
Energy: 1.56778922788388
Energy: 1.0794885246902808
Energy: 0.9431673689436165
Energy: 1.0794885246902808
Energy: 1.119109654087894
Energy: 1.6551615244606757
Energy: 1.6826971676092695
Energy: 1.6551615244606757
Energy: 1.769116649420608
Energy: 1.4826075398126888
Energy: 1.4376089921823922
Energy: 1.4826075398126888
Energy: 1.2197033233731716
Energy: 1.3896456958498564
Energy: 1.3965843668927922
Energy: 1.3896456958498564
Energy: 1.1233309287623565
Energy: 1.4312284540826123
Energy: 1.7970648658557036
Energy: 1.4312284540826123
Energy: 1.5608309185497977
Energy: 1.5482260211362664
Energy: 1.3582964577138683
Energy: 1.5482260211362664
Energy: 0.9922410810029764
Energy: 1.0794147350612269
Energy: 1.7106742707519011
Energy: 1.0794147350612269
Energy: 1.1148114177898358
Energy: 1.0702595334937368
Energy: 1.901935537456207
Energy: 1.0702595334929095
Energy: 0.881520251233114
Energy: 0.8811975193363408
Energy: 1.3551639301687377
Energy: 0.8811975193363408
Energy: 0.8831190942019919
Energy: 0.7579685655401762
Energy: 1.9024189330841494
Energy: 0.7579685655410037
Energy: 0.8886456586567075
Energy: 0.7593889874668545
Energy: 1.8700399389172826
Energy: 0.7593889874660269
Energy: 1.2006348878516557
Energy: 1.5089470107115965
Energy: 1.6359146268027283
Energy: 1.5089470108571674
Energy: 0.9419921206072042
Energy: 1.1030470238181511
Energy: 1.879809450450242
Energy: 1.1030470238181511
Energy: 0.995947123341498
Energy: 1.0805946951953616
Energy: 1.5703982934781957
Energy: 1.0805946951953616
Energy: 1.5645018875035002
Energy: 1.6277867091186915
Energy: 1.6496926441865896
Energy: 1.6277867091186915
Energy: 0.938263485501646
Energy: 1.512790822287759
Energy: 1.7664218394032098
Energy: 1.512790822287759
Energy: 1.397637236351577
Energy: 1.3912700923215937
Energy: 1.1244034519460218
Energy: 1.3912700923215937
Energy: 1.7988118889255107
Energy: 1.4037595287162081
Energy: 1.2193490379650451
Energy: 1.4037595287162081
Energy: 1.3558445081289028
Energy: 1.156601675538964
Energy: 1.0836648950356247
Energy: 1.1566016755257236
Energy: 1.709197825250456
Energy: 1.0791159447415917
Energy: 0.7590043044174312
Energy: 1.0791159447449017
Energy: 1.7995931294178897
Energy: 1.1938061673259177
Energy: 1.1184523995419806
Energy: 1.1938061673259177
Energy: 1.3572914351556107
Energy: 0.885367995688859
Energy: 0.881706356155806
Energy: 0.885367995688859
Energy: 1.905033344582757
Energy: 0.7577664367530835
Energy: 0.7580399545912889
Energy: 0.757766436752256
Energy: 1.665970417603541
Energy: 0.8847598096214262
Energy: 0.973757611789275
Energy: 0.8847598096230813

minimum gb energy = 0.757766436752256 eV
minimum distance =  2.48841355565009 Angstroms
sigma value = 41


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

Energy: 1.760439089131511
Energy: 0.7275075075260546
Energy: 1.0812603776441736
Energy: 1.2998229455424817
Energy: 1.8783536200471873
Energy: 0.9555030743267064
Energy: 0.8837764072990812
Energy: 0.9555030743267064
Energy: 1.6315269923989282
Energy: 0.9663891568679651
Energy: 0.838629040333577
Energy: 0.9663891568679651
Energy: 1.3566738024364586
Energy: 1.326803412543565
Energy: 1.4288782415083685
Energy: 1.3268034125401726
Energy: 1.7875034488281223
Energy: 1.3235914257880101
Energy: 1.1988114311486722
Energy: 1.3235914257880101
Energy: 1.359443960870515
Energy: 1.2685229587351279
Energy: 1.2173410932019566
Energy: 1.2685229587351279
Energy: 1.4154693768308613
Energy: 1.4513057242473761
Energy: 1.6645458338139538
Energy: 1.4513057242473761
Energy: 1.6467467004157843
Energy: 1.4586358900921383
Energy: 1.1667254437150676
Energy: 1.4586358900914598
Energy: 1.0286929255907944
Energy: 1.2677355445638996
Energy: 1.504444789263739
Energy: 1.2677355445638996
Energy: 1.0718343888048825
Energy: 1.252068470988193
Energy: 1.8110320803054099
Energy: 1.2520684709875147
Energy: 1.0536224828191003
Energy: 1.0565161757966162
Energy: 1.5580989447513964
Energy: 1.0565161757959378
Energy: 0.8336011559646197
Energy: 0.9668651736329076
Energy: 1.743119130173798
Energy: 0.9668651736315508
Energy: 0.9838877564132811
Energy: 1.0542205730095209
Energy: 1.8358598195072302
Energy: 1.0542205730081642
Energy: 0.8574962414577452
Energy: 0.7917783980193873
Energy: 1.5913316939424866
Energy: 0.7917783980193873
Energy: 0.6895381939710505
Energy: 0.6880035172756986
Energy: 1.9183764596932797
Energy: 0.6880035172756986
Energy: 0.8698388900888615
Energy: 0.7899024186553423
Energy: 1.7173966487186703
Energy: 0.7899024186560207
Energy: 1.0643155263597988
Energy: 1.0572374395584871
Energy: 1.7962243959060613
Energy: 1.0572374395605226
Energy: 0.8323350465957395
Energy: 1.0158910937360206
Energy: 1.8599103773803811
Energy: 1.0158910937346637
Energy: 1.0249154414462547
Energy: 1.0765554604688778
Energy: 1.3894022625789435
Energy: 1.0765554604688778
Energy: 1.2846219583215208
Energy: 1.3199827873323176
Energy: 1.4837391123997468
Energy: 1.3199827873323176
Energy: 1.1661156751386785
Energy: 1.309738374465079
Energy: 1.6401011374973484
Energy: 1.309738374465079
Energy: 1.2229489612049307
Energy: 1.3945414283254876
Energy: 1.4255587084970536
Energy: 1.394541428324809
Energy: 1.5543287033740993
Energy: 1.2933842101080701
Energy: 1.3590464626992622
Energy: 1.2933842101080701
Energy: 1.168110005430025
Energy: 1.3388265238608321
Energy: 1.2864393333614599
Energy: 1.3388265238601538
Energy: 1.7307708470789664
Energy: 1.2516007921335897
Energy: 0.9759583932422433
Energy: 1.2516007921335897
Energy: 1.538790333437709
Energy: 1.2521654926456096
Energy: 1.405126424853921
Energy: 1.2521654926449315
Energy: 1.6055458763242427
Energy: 0.9690754902500854
Energy: 1.0603651636932052
Energy: 0.9690754902507638
Energy: 1.756151694736408
Energy: 0.9765290632606675
Energy: 0.8309489131700463
Energy: 0.9765290632552398
Energy: 1.598359876709133
Energy: 1.053330796383443
Energy: 1.0633276999924746
Energy: 1.0533307966431638
Energy: 1.5824991977285046
Energy: 0.7904109296263194
Energy: 0.7994701047769214
Energy: 0.7904109296269979
Energy: 1.8796920680083913
Energy: 0.6876185957552242
Energy: 0.6888514558307144
Energy: 0.6876185957552242
Energy: 1.827356777174851
Energy: 0.7917671419861824
Energy: 0.9580820938928177
Energy: 0.7917671419644722

minimum gb energy = 0.6876185957552242 eV
minimum distance =  2.48769237724277 Angstroms
sigma value = 15


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

Energy: 1.5221255059612244
Energy: 1.5760120282060213
Energy: 0.8596812012779144
Energy: 1.7079680070110972
Energy: 1.884620432458439
Energy: 0.8657859121258947
Energy: 0.8016600718675359
Energy: 0.8657859121253201
Energy: 1.6764116173920727
Energy: 1.0687171115023442
Energy: 0.8007523022982797
Energy: 1.0687171115006198
Energy: 1.5520438070304612
Energy: 1.1888585073518552
Energy: 1.2127916183119458
Energy: 1.1888585073507059
Energy: 1.8054403378475539
Energy: 1.1884327497679763
Energy: 1.0351312776725359
Energy: 1.1884327497691256
Energy: 1.451764252566419
Energy: 1.1443617936927655
Energy: 1.0850875768403805
Energy: 1.1443617936933403
Energy: 1.193314395028266
Energy: 1.3137073825790575
Energy: 1.4904203305311725
Energy: 1.3137073825802068
Energy: 1.6801155368634366
Energy: 1.3110548979561678
Energy: 1.0310506823979682
Energy: 1.311054897955593
Energy: 1.2463694302244532
Energy: 1.1775977680140501
Energy: 1.3299817415451307
Energy: 1.1775977680140501
Energy: 1.2067645138534353
Energy: 1.2239608283056196
Energy: 1.6802004141578724
Energy: 1.2239608283061945
Energy: 1.1448938065413026
Energy: 1.2994657450597726
Energy: 1.3551270369975688
Energy: 1.2994657450603475
Energy: 0.875596081855052
Energy: 1.143354356382641
Energy: 1.5728888735871671
Energy: 1.14335435638494
Energy: 1.1461871579682694
Energy: 1.1244808645378432
Energy: 1.570916752884915
Energy: 1.1244808645384181
Energy: 1.000826010471578
Energy: 0.854940895938508
Energy: 1.3567312926107855
Energy: 0.8549408968185874
Energy: 0.7535753420135449
Energy: 0.8775372379626996
Energy: 1.7690769617055047
Energy: 0.8775372379626996
Energy: 0.9474218011106663
Energy: 0.9468700836937644
Energy: 1.604460514228707
Energy: 0.9468700836954885
Energy: 0.7906224748632102
Energy: 0.7189342003088726
Energy: 1.7313145284261724
Energy: 0.7189342003088726
Energy: 0.631866380087734
Energy: 0.6318510244451722
Energy: 1.8874085534187552
Energy: 0.6318510244445974
Energy: 0.8701372655044979
Energy: 0.7185925557985869
Energy: 1.5463922079812367
Energy: 0.7185925557997366
Energy: 0.9492726305309745
Energy: 0.9502728749980944
Energy: 1.7596670550975015
Energy: 0.9502728750003934
Energy: 0.7513518641899565
Energy: 0.8060864995480518
Energy: 1.8623118154066354
Energy: 0.8060864995486265
Energy: 1.0588671010462023
Energy: 0.8524651038933801
Energy: 1.553240120178451
Energy: 0.8524651038836097
Energy: 1.0871417504662098
Energy: 1.1381090166332541
Energy: 1.4497951068499866
Energy: 1.1381090166315297
Energy: 1.0331855633629932
Energy: 1.1810010814886869
Energy: 1.6686936529081173
Energy: 1.1810010814892613
Energy: 1.3594970788154228
Energy: 1.2969326995629775
Energy: 1.1877918199826825
Energy: 1.2969326995641268
Energy: 1.3305533923287984
Energy: 1.212835525073945
Energy: 1.6025961843486185
Energy: 1.212835525073945
Energy: 1.0655771058743273
Energy: 1.2415271940274313
Energy: 1.3936484955849746
Energy: 1.2415271940274313
Energy: 1.66452997937733
Energy: 1.3261812836122067
Energy: 1.1882993248607596
Energy: 1.326181283613356
Energy: 1.405145828653439
Energy: 1.308127741887439
Energy: 1.4678594582782227
Energy: 1.3081277418862896
Energy: 1.3556561875960405
Energy: 1.1963035045118486
Energy: 1.1461044103788118
Energy: 1.196303504512423
Energy: 1.8167208889106607
Energy: 1.2036574090157797
Energy: 0.8754842829452856
Energy: 1.203657409015205
Energy: 1.357472378959589
Energy: 1.1919724704221677
Energy: 1.2110106740004958
Energy: 1.1919724704187193
Energy: 1.5718684838534092
Energy: 0.8772925600015716
Energy: 0.8592591519643153
Energy: 0.8772925600027212
Energy: 1.9177922759150592
Energy: 0.8640784531426686
Energy: 0.8004798291361631
Energy: 0.8640784531438181
Energy: 1.6967269087869037
Energy: 0.9504873381076199
Energy: 0.9423124631236428
Energy: 0.9504873381058956
Energy: 1.7932365041284835
Energy: 0.717297405371859
Energy: 0.7195432900734389
Energy: 0.7172974053684106
Energy: 1.722105181997766
Energy: 0.6330017188308925
Energy: 0.7770622089111301
Energy: 0.6330017188280188

minimum gb energy = 0.6318510244445974 eV
minimum distance =  2.47770083479801 Angstroms
sigma value = 85


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

Energy: 1.706199483608184
Energy: 1.1811410439078043
Energy: 0.7668717824226714
Energy: 1.110785073277176
Energy: 1.9204998005260456
Energy: 0.8131865903653993
Energy: 0.7567607153225706
Energy: 0.8131865903649008
Energy: 1.7212707819499968
Energy: 0.8763383443932392
Energy: 0.8304026353712585
Energy: 0.8763383443932392
Energy: 1.409807178876779
Energy: 1.009679160704404
Energy: 1.0731402856465444
Energy: 1.009679160705401
Energy: 1.7703008896274077
Energy: 1.0369488634364807
Energy: 0.9214370180374661
Energy: 1.0369488634379762
Energy: 1.398796819420794
Energy: 1.04958813660904
Energy: 1.0168433429366905
Energy: 1.0495881366095383
Energy: 1.4630770359414855
Energy: 1.1406461196113415
Energy: 1.2862932547776509
Energy: 1.1406461196113415
Energy: 1.6872390843854357
Energy: 1.172364150461447
Energy: 0.9823973129962379
Energy: 1.1723641504609488
Energy: 1.4026662126064149
Energy: 1.154386462116335
Energy: 1.1861016584489403
Energy: 1.1543864621158366
Energy: 1.3574630569348176
Energy: 1.1865929097172185
Energy: 1.4986456591648591
Energy: 1.186592909717717
Energy: 1.3672081831524519
Energy: 1.1946297428900285
Energy: 1.264086446432385
Energy: 1.194629742890527
Energy: 1.1252799936220088
Energy: 1.1892911146521177
Energy: 1.426711362605476
Energy: 1.1892911146521177
Energy: 1.2577433088823868
Energy: 1.0721069497772118
Energy: 1.4474929527026923
Energy: 1.0721069497772118
Energy: 1.0276694571754248
Energy: 0.9838280932709877
Energy: 1.2652635897437963
Energy: 0.9838280932709877
Energy: 0.8467701751309185
Energy: 1.0842142549150942
Energy: 1.6788464878727274
Energy: 1.0842142549160911
Energy: 1.0537608730058747
Energy: 1.008524907936134
Energy: 1.5301984633435115
Energy: 1.0085249079376295
Energy: 0.8862861978664455
Energy: 0.7077093078143879
Energy: 1.59243401626305
Energy: 0.7077093078153849
Energy: 0.6910478055086332
Energy: 0.7188269177248348
Energy: 1.8327217999193592
Energy: 0.7188269177248348
Energy: 0.8353681577070159
Energy: 0.8165190072652299
Energy: 1.8278566804076795
Energy: 0.8165190072657283
Energy: 0.7693695206186925
Energy: 0.795847410651219
Energy: 1.7634101573729384
Energy: 0.7958474106517174
Energy: 0.623133687381897
Energy: 0.6830061365829869
Energy: 1.9346219117561458
Energy: 0.6830061365829869
Energy: 0.8537284168494271
Energy: 0.6735925238350275
Energy: 1.6585497558790498
Energy: 0.6735925237961469
Energy: 0.9327703361784488
Energy: 0.8745224972767369
Energy: 1.7309005864322269
Energy: 0.8745224972772354
Energy: 0.7305193250279256
Energy: 0.898314699817929
Energy: 1.7546598786298517
Energy: 0.898314699817929
Energy: 0.879083366515245
Energy: 0.8981255782560417
Energy: 1.4082525678496856
Energy: 0.8981255827607206
Energy: 1.0657532498868185
Energy: 1.0328668061452237
Energy: 1.7815611285144461
Energy: 1.0328668061447253
Energy: 1.003283499170679
Energy: 1.022822002337406
Energy: 1.5664213433060235
Energy: 1.0228220023379044
Energy: 1.2812645345464044
Energy: 1.1175174651621096
Energy: 1.409991629340174
Energy: 1.1175174651641036
Energy: 1.2022662900162775
Energy: 1.1732496263510268
Energy: 1.697179486350164
Energy: 1.1732496263510268
Energy: 1.210980699418511
Energy: 1.053393788640613
Energy: 1.3427769875972007
Energy: 1.053393788640613
Energy: 1.5310425425832697
Energy: 1.1936683983994163
Energy: 1.1238167624618605
Energy: 1.193668398398419
Energy: 1.2929789173768316
Energy: 1.1935349320165356
Energy: 1.542685083655038
Energy: 1.1935349320160373
Energy: 1.4243756340397402
Energy: 1.0974546076199811
Energy: 1.1392509733128668
Energy: 1.0974546076194827
Energy: 1.697194747567029
Energy: 1.185483727749789
Energy: 1.174982228309037
Energy: 1.1854837277487922
Energy: 1.2628745893881694
Energy: 1.1372371362196452
Energy: 1.3397174002873382
Energy: 1.1372371362390628
Energy: 1.6588680356306162
Energy: 1.0417607460310478
Energy: 0.9374572418640579
Energy: 1.0417607460325435
Energy: 1.684271028426248
Energy: 1.033881548898331
Energy: 1.0481016486491284
Energy: 1.033881548898331
Energy: 1.5579428177271886
Energy: 0.7908525100779282
Energy: 0.8036851734667727
Energy: 0.7908525099698054
Energy: 1.8574639141919087
Energy: 0.7595963852481242
Energy: 0.6788372025554634
Energy: 0.7595963853079181
Energy: 1.70075893671481
Energy: 0.8508633231906761
Energy: 0.8432648088887517
Energy: 0.8508633231901775
Energy: 1.5831420619206793
Energy: 0.6442148024554435
Energy: 0.76728434624635
Energy: 0.6442148024743853
Energy: 1.885519760236819
Energy: 0.5724359181323428
Energy: 0.5732186233489368
Energy: 0.5724359181323428
Energy: 1.6802132198398354
Energy: 0.6472989091353311
Energy: 0.7671688474037632
Energy: 0.6472989091353311

minimum gb energy = 0.5724359181323428 eV
minimum distance =  2.48327435108898 Angstroms
sigma value = 113


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

Energy: 0.014742926120104506
Energy: 0.01547779818149061
Energy: 1.4524466411309682
Energy: 0.705487925267445
Energy: 0.0156285044500688
Energy: 0.10769498282090066
Energy: 0.845090788888787
Energy: 0.10769498282051747
Energy: 0.015329306379111545
Energy: 0.10651050697545802
Energy: 0.8438405392184076
Energy: 0.10651050697584122
Energy: 0.016570193255630184
Energy: 0.10886871280404067
Energy: 0.8449932323025448
Energy: 0.10886871280367877
Energy: 0.8458054338277265
Energy: 0.7343632043503711
Energy: 1.125411129417971
Energy: 0.7343632043503711
Energy: 0.015157278400735361
Energy: 0.10609903916053204
Energy: 0.8433628006636696
Energy: 0.10609903916089396

minimum gb energy = 0.014742926120104506 eV
minimum distance =  2.71787406848849 Angstroms
sigma value = 1