Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999392986298
cohesive_energy=4.440349230729681
mass=58.6934
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=[2.5730476089049795e-19, 3.32917884955494e-19, 3.88902743077356e-19, 4.341241785720059e-19, 4.72172669276238e-19, 5.049323749116359e-19, 5.33528023475268e-19, 5.58707831455212e-19, 5.809925062575179e-19, 6.00764968097712e-19, 6.18321619653084e-19, 6.33891572182296e-19, 6.4766228035152595e-19, 6.597859509410039e-19, 6.703907580814499e-19, 6.79582445430708e-19, 6.874587457634519e-19, 6.9409496138148e-19, 6.995647924099559e-19, 7.039307237376059e-19, 7.072456271933519e-19, 7.095607724294819e-19, 7.109210203917479e-19, 7.11366425496e-19, 7.108841703291659e-19, 7.09320445934382e-19, 7.06465367172594e-19, 7.020770053720679e-19, 6.95854151325612e-19, 6.8743791746721e-19, 6.7639090957578e-19, 6.621763984789319e-19, 6.4413909393336e-19, 6.214618858557239e-19, 5.931273920834339e-19, 5.57860280015826e-19, 5.14043953429194e-19, 4.5960840011241e-19, 3.91889200323132e-19, 3.07398415529142e-19, 2.01637133742168e-19, 6.92441515095192e-20, -9.632558293635779e-20, -3.05985295737954e-19, -6.046710747314039e-19, -1.081735189271244e-18, -1.87161467853978e-18, -3.1778372447072996e-18, -5.3153972227247394e-18, -8.580905572844519e-18, -1.353675833713332e-17, -2.1622975852464e-17, -3.51059330982276e-17, -5.922670232309759e-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: 0.018022234550268253
Energy: 0.018433452361253395
Energy: 0.853915517513444
Energy: 0.1598762724746807
Energy: 0.018433452361253395
Energy: 1.0323766119856697
Energy: 0.15987627247405736
Energy: 1.0323766119856697
Energy: 0.853915517513444
Energy: 0.15987627247405736
Energy: 0.018022234550268253
Energy: 0.018433452361253395
Energy: 0.1598762724746807
Energy: 1.0323766119856697
Energy: 0.018433452361876754
Energy: 1.0323766119856697

minimum gb energy = 0.018022234550268253 eV
minimum distance =  2.44679095212552 Angstroms
sigma value = 1


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

Energy: 1.6779580240214396
Energy: 1.1271211924408275
Energy: 1.2063139151869016
Energy: 1.2043186118282412
Energy: 1.1554282153319566
Energy: 1.2515863793120272
Energy: 1.140492498811324
Energy: 1.2515863793120272
Energy: 1.2063840190332384
Energy: 1.2046574419727063
Energy: 1.1396576491820927
Energy: 1.2046574419735068
Energy: 1.1431747369856007
Energy: 1.1377614833591054
Energy: 1.1402287978621208
Energy: 1.1377614833599057
Energy: 1.5638759651451697
Energy: 1.1391106220474756
Energy: 1.1421018223636925
Energy: 1.1391106220490765
Energy: 1.2114911745484245
Energy: 1.1929781887680844
Energy: 1.1397937090657975
Energy: 1.1929781887680844
Energy: 1.2005177563832503
Energy: 1.2135895739450349
Energy: 1.1984595514373462
Energy: 1.213589573943434
Energy: 1.203246683111711
Energy: 1.2003266459570623
Energy: 1.2551133011421398
Energy: 1.2003266459578625
Energy: 1.229650614626781
Energy: 1.3389285692563664
Energy: 1.2310746030633593
Energy: 1.3389285692571669
Energy: 1.2525012433381049
Energy: 1.3035686392977834
Energy: 1.232584780767377
Energy: 1.303568639296983
Energy: 1.2267540281759042
Energy: 1.3366965878008257
Energy: 1.2306661335663402
Energy: 1.3366965878008257
Energy: 1.2010746599589792
Energy: 1.3378289372568812
Energy: 1.260856156352977
Energy: 1.3378289372560808
Energy: 1.2126800137314473
Energy: 1.2504016700336105
Energy: 1.1552370076244745
Energy: 1.25040167003281
Energy: 1.143894246685238
Energy: 1.2572607953731718
Energy: 1.2073289526982685
Energy: 1.2572607953723713
Energy: 1.1555064319454864
Energy: 1.1389189181615864
Energy: 1.1390963773485792
Energy: 1.138918918162387
Energy: 1.175399393358655
Energy: 1.1396992156147208
Energy: 1.1392844806993812
Energy: 1.1396992156139203
Energy: 1.2054508671546773
Energy: 1.2040634358963722
Energy: 1.1204559068234603
Energy: 1.2040634358963722
Energy: 1.1399379007652228
Energy: 1.1398731298346987
Energy: 1.1560577930932832
Energy: 1.139873129835499
Energy: 1.1393137995568132
Energy: 1.205094177965549
Energy: 1.206561262496089
Energy: 1.205094177965549
Energy: 1.1986549504871453
Energy: 1.1382355751749116
Energy: 1.1428909951824628
Energy: 1.1382355751749116
Energy: 1.1398588398516771
Energy: 1.1386970520978084
Energy: 1.1978874997518183
Energy: 1.1386970520978084
Energy: 1.1409969639509017
Energy: 1.1394342745056685
Energy: 1.1469791159569065
Energy: 1.1394342745064692
Energy: 1.1985577077509086
Energy: 1.1989356010801822
Energy: 1.1990182045859619
Energy: 1.1989356010626444
Energy: 1.2557030373151246
Energy: 1.1959962939090754
Energy: 1.2020601716318848
Energy: 1.1959962939090754
Energy: 1.2329908893099804
Energy: 1.338947994565011
Energy: 1.2292371059564766
Energy: 1.338947994565011
Energy: 1.2332836961695277
Energy: 1.3379360800482103
Energy: 1.2554073799237333
Energy: 1.33793608004741
Energy: 1.3584496492978149
Energy: 1.336592507732857
Energy: 1.2273447581170072
Energy: 1.3365925077344576
Energy: 1.257437733461335
Energy: 1.3376856642891628
Energy: 1.2416938723982451
Energy: 1.3376856642899635
Energy: 1.1558675603744222
Energy: 1.2501218864237669
Energy: 1.2132737949759482
Energy: 1.2501218864221662
Energy: 1.2070588061598326
Energy: 1.2151457349305559
Energy: 1.202170708624344
Energy: 1.2151457349313561
Energy: 1.1382043871409884
Energy: 1.1386091410694983
Energy: 1.1550936590699117
Energy: 1.1386091410718997
Energy: 1.1394084541078606
Energy: 1.139428016630845
Energy: 1.1230650343423525
Energy: 1.139428016630845
Energy: 1.1203877438289918
Energy: 1.1437224053250565
Energy: 1.2073655686858682
Energy: 1.143722405325857

minimum gb energy = 1.1203877438289918 eV
minimum distance =  2.23330626398001 Angstroms
sigma value = 1


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

Energy: 1.8998899608359334
Energy: 1.1704318655965584
Energy: 1.2604608764975247
Energy: 1.2596129609238271
Energy: 1.2144061623440128
Energy: 1.3052407406575381
Energy: 1.1899649535231256
Energy: 1.3052407406575381
Energy: 1.2589017435237184
Energy: 1.2601036266212355
Energy: 1.1878740854492031
Energy: 1.2601036266221481
Energy: 1.1957331949128562
Energy: 1.370122823029222
Energy: 1.1898072264667854
Energy: 1.3701228230273965
Energy: 1.1893396715013658
Energy: 1.1905831594118212
Energy: 1.1898142070038136
Energy: 1.1905831594118212
Energy: 1.1957089582905855
Energy: 1.2720980328752127
Energy: 1.1909421093383106
Energy: 1.2720980328752127
Energy: 1.2662058629551918
Energy: 1.3220069870626003
Energy: 1.2613815002021203
Energy: 1.3220069870626003
Energy: 1.2666156009679304
Energy: 1.264157783408896
Energy: 1.2495800820639948
Energy: 1.2641577834079831
Energy: 1.2627010954123208
Energy: 1.4087288841773549
Energy: 1.2859551220328111
Energy: 1.4087288841773549
Energy: 1.2500046276522887
Energy: 1.3834827246110937
Energy: 1.2644048385927804
Energy: 1.3834827246110937
Energy: 1.2130252749448156
Energy: 1.3196487094744096
Energy: 1.288517756009009
Energy: 1.3196487094744096
Energy: 1.2709047236437172
Energy: 1.3246628030239167
Energy: 1.1966648280715506
Energy: 1.3246628030239167
Energy: 1.190365428535537
Energy: 1.1897014231511767
Energy: 1.2124354305549097
Energy: 1.1897014231511767
Energy: 1.1887320685826994
Energy: 1.1887909027295454
Energy: 1.163724077343749
Energy: 1.1887909027295454
Energy: 1.1632723864586616
Energy: 1.2594497387712216
Energy: 1.2596477305102913
Energy: 1.2594497387712216
Energy: 1.2146507181015305
Energy: 1.1897294564159928
Energy: 1.189587623914423
Energy: 1.1897294564159928
Energy: 1.259437069752566
Energy: 1.2605750331927776
Energy: 1.1876552312112945
Energy: 1.2605750331918648
Energy: 1.1947080544918975
Energy: 1.1888371071930728
Energy: 1.1932838554431384
Energy: 1.1888371071930728
Energy: 1.1883693728201181
Energy: 1.1900904638612628
Energy: 1.1917887023583984
Energy: 1.1900904638612628
Energy: 1.1956547737940586
Energy: 1.190525215008157
Energy: 1.1911566359636212
Energy: 1.1905252150090695
Energy: 1.2625183033591125
Energy: 1.3281062938153636
Energy: 1.2618807579224058
Energy: 1.3281062938153636
Energy: 1.2631871676463078
Energy: 1.324980926581409
Energy: 1.2500021345561723
Energy: 1.324980926581409
Energy: 1.2627728109475898
Energy: 1.4075087369123573
Energy: 1.2864633316064393
Energy: 1.4075087369114447
Energy: 1.3224517112563146
Energy: 1.408962239437094
Energy: 1.2688853983978698
Energy: 1.408962239437094
Energy: 1.213741461678337
Energy: 1.3204920608156834
Energy: 1.2898029039342713
Energy: 1.320492060816596
Energy: 1.214672228047574
Energy: 1.3212016988228081
Energy: 1.2812062458215945
Energy: 1.3212016988236794
Energy: 1.1890013862171855
Energy: 1.1897955850174506
Energy: 1.2124898080718942
Energy: 1.1897955850174506
Energy: 1.188121665570962
Energy: 1.1897602754184533
Energy: 1.163762792170986
Energy: 1.1897602754184533
Energy: 1.1626047214651511
Energy: 1.1953331806063743
Energy: 1.260659476040972
Energy: 1.1953331806063743

minimum gb energy = 1.1626047214651511 eV
minimum distance =  2.23591009678225 Angstroms
sigma value = 25


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

Energy: 1.8136114982883262
Energy: 1.2162574431956885
Energy: 1.3185920400946345
Energy: 1.3186361815632974
Energy: 1.2835777488116447
Energy: 1.3612204997154582
Energy: 1.246482971036374
Energy: 1.3612204997154582
Energy: 1.3178809635245514
Energy: 1.319361051070507
Energy: 1.2438946007629255
Energy: 1.3193610510694458
Energy: 1.2543269621581923
Energy: 1.364217514496722
Energy: 1.2466936320043613
Energy: 1.364217514497783
Energy: 1.2435333869978857
Energy: 1.2459358646989744
Energy: 1.2478479333710406
Energy: 1.2459358646989744
Energy: 1.2529878684873368
Energy: 1.247519296499487
Energy: 1.2452587712264627
Energy: 1.247519296499487
Energy: 1.3224594606272744
Energy: 1.4134782495466283
Energy: 1.3190249091493191
Energy: 1.4134782495466283
Energy: 1.3212325987395082
Energy: 1.4157308172649756
Energy: 1.2313398328302814
Energy: 1.4157308172649756
Energy: 1.322125549371105
Energy: 1.4106633583583303
Energy: 1.2839058560282912
Energy: 1.4106633583593915
Energy: 1.2534165454925557
Energy: 1.4143129350177317
Energy: 1.2458381884287355
Energy: 1.4143129350177317
Energy: 1.2057543834103692
Energy: 1.2465935450063603
Energy: 1.247787768050906
Energy: 1.2465935450074215
Energy: 1.2068781813123863
Energy: 1.2454809858626026
Energy: 1.2461655914520389
Energy: 1.2454809858626026
Energy: 1.3174798020360285
Energy: 1.3191787275847555
Energy: 1.2059650809369942
Energy: 1.3191787275847555
Energy: 1.2461709113149337
Energy: 1.2540150394654903
Energy: 1.2841760309983596
Energy: 1.2540150394654903
Energy: 1.2435230968751587
Energy: 1.3201742257249767
Energy: 1.3203861957017187
Energy: 1.3201742257249767
Energy: 1.2511929934922301
Energy: 1.245997027499946
Energy: 1.253738523943917
Energy: 1.2459970275010068
Energy: 1.245694797919897
Energy: 1.2546520308030988
Energy: 1.2444381565731546
Energy: 1.2546520308041598
Energy: 1.2457902014678761
Energy: 1.2477812653410936
Energy: 1.2532416067836882
Energy: 1.2477812653400324
Energy: 1.3189419999797976
Energy: 1.4152807992125631
Energy: 1.3274592748927325
Energy: 1.4152807992125631
Energy: 1.2315539376734252
Energy: 1.415044793493046
Energy: 1.3232321397677231
Energy: 1.4150447934920332
Energy: 1.2837533633731744
Energy: 1.4103450782850733
Energy: 1.3228809374762165
Energy: 1.4103450782840123
Energy: 1.2848723313039168
Energy: 1.4104465077981625
Energy: 1.32280527451181
Energy: 1.4104465077981625
Energy: 1.2459667376593384
Energy: 1.2463926141273474
Energy: 1.206073966169696
Energy: 1.2463926141284083
Energy: 1.2452975301909377
Energy: 1.245809637338263
Energy: 1.2067432111393546
Energy: 1.245809637338263
Energy: 1.2053180110878186
Energy: 1.253866658750939
Energy: 1.3184543243159317
Energy: 1.253866658750939

minimum gb energy = 1.2053180110878186 eV
minimum distance =  2.23171395337176 Angstroms
sigma value = 9


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

Energy: 1.6858997996794747
Energy: 1.261190496622049
Energy: 1.3821580616426539
Energy: 1.3814652621582397
Energy: 1.379786937071948
Energy: 1.4144404988929598
Energy: 1.3135682424132036
Energy: 1.4144404988929598
Energy: 1.3814953987144565
Energy: 1.3811835558783045
Energy: 1.3771783353817952
Energy: 1.3811835558783045
Energy: 1.3158594435575968
Energy: 1.4150391676392793
Energy: 1.3135588625922798
Energy: 1.4150391676392793
Energy: 1.3110956176845554
Energy: 1.3132243045760208
Energy: 1.3162341975522303
Energy: 1.3132243045760208
Energy: 1.3177739654965819
Energy: 1.31694813813294
Energy: 1.31597817525355
Energy: 1.3169481381342054
Energy: 1.3742082469016272
Energy: 1.4859145228564152
Energy: 1.3147152569695648
Energy: 1.4859145228564152
Energy: 1.3168755156266725
Energy: 1.4914594359724502
Energy: 1.3136757693792096
Energy: 1.4914594359724502
Energy: 1.3120733934170954
Energy: 1.312773367970025
Energy: 1.2452962695363519
Energy: 1.312773367970025
Energy: 1.3137906524513348
Energy: 1.3130214922074772
Energy: 1.245385190661878
Energy: 1.3130214922074772
Energy: 1.2435488732641957
Energy: 1.381043018793714
Energy: 1.3803196623900222
Energy: 1.381043018793714
Energy: 1.3791181488393078
Energy: 1.3182785506991812
Energy: 1.3128670461483407
Energy: 1.3182785506991812
Energy: 1.3814374413968304
Energy: 1.3818775206425389
Energy: 1.3785944075396206
Energy: 1.3818775206425389
Energy: 1.3818624589201571
Energy: 1.3126797626168638
Energy: 1.3795900840604356
Energy: 1.3126797626181292
Energy: 1.3103736993783734
Energy: 1.3183195670976848
Energy: 1.3229301981472035
Energy: 1.3183195670976848
Energy: 1.318619035263434
Energy: 1.3146573560182375
Energy: 1.3152384493397713
Energy: 1.3146573560182375
Energy: 1.3762029740718689
Energy: 1.4880729931999204
Energy: 1.3164367282626463
Energy: 1.4880729931999204
Energy: 1.3766090867002543
Energy: 1.4868775521156263
Energy: 1.3139427739004812
Energy: 1.4868775521156263
Energy: 1.3109535395350302
Energy: 1.312858866408763
Energy: 1.2449065842746339
Energy: 1.3128588664074976
Energy: 1.3142618519578886
Energy: 1.3132755326773338
Energy: 1.2454339927014857
Energy: 1.3132755326773338
Energy: 1.2433463304797046
Energy: 1.3162571394360065
Energy: 1.3822950372659126
Energy: 1.3162571394360065

minimum gb energy = 1.2433463304797046 eV
minimum distance =  2.25176661601721 Angstroms
sigma value = 25


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

Energy: 1.5027769315511035
Energy: 1.299265029713658
Energy: 1.448725708952468
Energy: 1.4491699632444757
Energy: 1.441273127222094
Energy: 1.4088176759240925
Energy: 1.3269813594020752
Energy: 1.4088176759240925
Energy: 1.4482276379444639
Energy: 1.449074672278097
Energy: 1.4434811404960004
Energy: 1.4490746722765318
Energy: 1.448865604031801
Energy: 1.4095016805476959
Energy: 1.3270262804475614
Energy: 1.409501680549261
Energy: 1.3879376804711063
Energy: 1.4971638843133628
Energy: 1.3274349328763135
Energy: 1.4971638843133628
Energy: 1.2876412905350123
Energy: 1.3264587295877985
Energy: 1.3249874572000295
Energy: 1.3264587295877985
Energy: 1.2803925441439195
Energy: 1.3286876230197129
Energy: 1.3287452246877889
Energy: 1.3286876230181475
Energy: 1.2809044555312246
Energy: 1.4092624350335308
Energy: 1.3272834443726773
Energy: 1.4092624350335308
Energy: 1.4466062681027196
Energy: 1.4477384535623974
Energy: 1.5979347710409182
Energy: 1.4477384535623974
Energy: 1.4858238370615722
Energy: 1.4936539923992074
Energy: 1.4397291164087784
Energy: 1.4936539923992074
Energy: 1.4431499364634583
Energy: 1.4501733709815103
Energy: 1.448515153412534
Energy: 1.4501733709815103
Energy: 1.4418210700360863
Energy: 1.4104922004661506
Energy: 1.450065864317535
Energy: 1.4104922004661506
Energy: 1.3262650593433742
Energy: 1.498621722891221
Energy: 1.3878683984469413
Energy: 1.498621722891221
Energy: 1.3273891390817703
Energy: 1.3306548898618085
Energy: 1.29032018675682
Energy: 1.3306548898618085
Energy: 1.3947218273545934
Energy: 1.3294096086303764
Energy: 1.280786624056859
Energy: 1.3294101764375568
Energy: 1.3263070234933747
Energy: 1.4872457222831246
Energy: 1.2802528073391475
Energy: 1.4872457222846898
Energy: 1.5992183601266678
Energy: 1.2887905632340628
Energy: 1.4510497516883736
Energy: 1.2887905632340628

minimum gb energy = 1.2802528073391475 eV
minimum distance =  2.29657064290175 Angstroms
sigma value = 17


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

Energy: 2.053395686652394
Energy: 1.4928454203678267
Energy: 1.5844313530986482
Energy: 1.5858599263904976
Energy: 1.3181216553013484
Energy: 1.421886903435185
Energy: 1.5043315719568704
Energy: 1.421886903435185
Energy: 1.4038688319616774
Energy: 1.4032687982991519
Energy: 1.5969420127620426
Energy: 1.4032687982991519
Energy: 1.4028916861698193
Energy: 1.423080107722857
Energy: 1.4185600145506065
Energy: 1.4230801077237434
Energy: 1.4025176687832428
Energy: 1.5234766927023946
Energy: 1.320173129479293
Energy: 1.5234766927023946
Energy: 1.406396665772953
Energy: 1.4836988187340947
Energy: 1.4025777116201934
Energy: 1.4836988187340947
Energy: 1.4769602818468148
Energy: 1.401233994831805
Energy: 1.4043796930317023
Energy: 1.401233994831805
Energy: 1.6840564890899077
Energy: 1.4196032863382393
Energy: 1.3525872242929675
Energy: 1.4196032863382393
Energy: 1.588928128393625
Energy: 1.5888100231137015
Energy: 1.596622208815618
Energy: 1.5888100231137015
Energy: 1.5963217533757783
Energy: 1.5219237538164712
Energy: 1.5194902069894667
Energy: 1.5219237538155845
Energy: 1.3986171661159235
Energy: 1.3524587923738929
Energy: 1.3489474517592528
Energy: 1.3524587923738929
Energy: 1.5018103109854566
Energy: 1.3837119596856926
Energy: 1.3555880334326977
Energy: 1.3837119596865795
Energy: 1.478072451057383
Energy: 1.3835589870137366
Energy: 1.3815247475188235
Energy: 1.3835589870137366
Energy: 1.4800583579096407
Energy: 1.4212358850405904
Energy: 1.3504798013851576
Energy: 1.4212358850405904
Energy: 1.587676168137146
Energy: 1.503651779163698
Energy: 1.7099172901500117
Energy: 1.503651779163698
Energy: 1.5851227418024627
Energy: 1.586403902961212
Energy: 1.7099625702228063
Energy: 1.586403902961212
Energy: 1.5957884639033122
Energy: 1.4025170997557879
Energy: 1.4019368530455147
Energy: 1.4025170997557879
Energy: 1.596020176442969
Energy: 1.4030341314086183
Energy: 1.3995849099551432
Energy: 1.4030341314095047
Energy: 1.404015338069892
Energy: 1.524520784557436
Energy: 1.4020721595138042
Energy: 1.524520784557436
Energy: 1.4408728552722794
Energy: 1.4858578761116403
Energy: 1.4012239446107846
Energy: 1.485857876112527
Energy: 1.4012328488783572
Energy: 1.4202075174005113
Energy: 1.5155386740356986
Energy: 1.4202075174005113
Energy: 1.40347548958736
Energy: 1.4038805617665677
Energy: 1.478389359559581
Energy: 1.4038805617665677
Energy: 1.5227683119981352
Energy: 1.5220293473626216
Energy: 1.51938624000066
Energy: 1.5220293473626216
Energy: 1.5987848348783884
Energy: 1.5851545967638854
Energy: 1.581467387204585
Energy: 1.5851545967638854
Energy: 1.37734749578619
Energy: 1.4193263250902635
Energy: 1.59841541208626
Energy: 1.4193263250911503
Energy: 1.3772127498948281
Energy: 1.383859838973955
Energy: 1.401437855501121
Energy: 1.383859838973955
Energy: 1.3487187035822368
Energy: 1.3529671448069251
Energy: 1.4888043376875362
Energy: 1.3529671448069251
Energy: 1.3539005135269897
Energy: 1.3829463495779233
Energy: 1.4803035562587565
Energy: 1.3829463495788097
Energy: 1.3809748517384095
Energy: 1.4192852922635255
Energy: 1.4783928658604495
Energy: 1.4192852922644121
Energy: 1.7110706197347145
Energy: 1.5845634617760653
Energy: 1.58295711738447
Energy: 1.5845634617760653

minimum gb energy = 1.3181216553013484 eV
minimum distance =  2.23140046216343 Angstroms
sigma value = 53


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

Energy: 1.8673756514840485
Energy: 1.2783687743160026
Energy: 1.490461494198107
Energy: 1.4875782724275466
Energy: 1.687844482632801
Energy: 1.3649758162551593
Energy: 1.481178769304255
Energy: 1.3649758162551593
Energy: 1.4873357220035086
Energy: 1.485766799759792
Energy: 1.5053033951502972
Energy: 1.485766799759792
Energy: 1.4856579810941222
Energy: 1.36686383150238
Energy: 1.4898206278331851
Energy: 1.36686383150238
Energy: 1.4898356153787686
Energy: 1.3651706307729592
Energy: 1.2570237503430552
Energy: 1.3651706307729592
Energy: 1.4872825494826167
Energy: 1.3703106341663114
Energy: 1.260554702984922
Energy: 1.3703106341663114
Energy: 1.6901003712326845
Energy: 1.4812711237584641
Energy: 1.4804132719480405
Energy: 1.4812711237584641
Energy: 1.6887346043444764
Energy: 1.367527323324289
Energy: 1.4900970051231188
Energy: 1.367527323324289
Energy: 1.4858795866562162
Energy: 1.4963366388779116
Energy: 1.5048529025450028
Energy: 1.4963366388779116
Energy: 1.4864410549478666
Energy: 1.3670665074355937
Energy: 1.4829794936195708
Energy: 1.3670665074355937
Energy: 1.488481535086494
Energy: 1.3709148632533446
Energy: 1.2792863714229645
Energy: 1.3709148632533446
Energy: 1.488501670212784
Energy: 1.3717296085005772
Energy: 1.2571191770941268
Energy: 1.3717296085005772
Energy: 1.6906392356189015
Energy: 1.3674855023879804
Energy: 1.4894580474001855
Energy: 1.3674855023879804

minimum gb energy = 1.2570237503430552 eV
minimum distance =  2.29029576416348 Angstroms
sigma value = 9


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

Energy: 1.8223653362806969
Energy: 1.5422899884566217
Energy: 1.6592729224533442
Energy: 1.656779770896615
Energy: 1.450676688971023
Energy: 1.3752365116474652
Energy: 1.659846299936024
Energy: 1.3752365116489755
Energy: 1.3888727615357823
Energy: 1.3800717656661656
Energy: 1.6951701389219267
Energy: 1.3800717656661656
Energy: 1.3839042846325678
Energy: 1.3794444161700288
Energy: 1.6616783787917924
Energy: 1.379444416168518
Energy: 1.3768542938227597
Energy: 1.3748008951940085
Energy: 1.7513949804499502
Energy: 1.3748008951932533
Energy: 1.3747752629183527
Energy: 1.3752477572991508
Energy: 1.7504997310732286
Energy: 1.37524775729764
Energy: 1.6618002451013751
Energy: 1.6404884283044627
Energy: 1.6595802395632298
Energy: 1.6404884283021968
Energy: 1.661116925970687
Energy: 1.6444955000657293
Energy: 1.64157740204819
Energy: 1.6444955000664847
Energy: 1.454192468294055
Energy: 1.55629287698288
Energy: 1.4718979148615057
Energy: 1.5562928769843907
Energy: 1.3708146061055957
Energy: 1.4783830129352944
Energy: 1.643607004624113
Energy: 1.4783830129330284
Energy: 1.452974424931558
Energy: 1.4538226644647545
Energy: 1.5280590007220793
Energy: 1.45382266446551
Energy: 1.4620467052026875
Energy: 1.4562834710814752
Energy: 1.7473992508002736
Energy: 1.4562834710822303
Energy: 1.6612552261468239
Energy: 1.4536767972462101
Energy: 1.4698158586903083
Energy: 1.4536767972477207
Energy: 1.6629646449427433
Energy: 1.4534448823435302
Energy: 1.4537808007330322
Energy: 1.4534448823435302
Energy: 1.6411002989246446
Energy: 1.4689615922815962
Energy: 1.4608417027346192
Energy: 1.4689615922831067
Energy: 1.5688818328062917
Energy: 1.5555407483108494
Energy: 1.4608758842771838
Energy: 1.555540748310094
Energy: 1.6494897967486375
Energy: 1.5334597092285638
Energy: 1.4572619888651617
Energy: 1.5334597092270528
Energy: 1.6561988482222076
Energy: 1.6460772771008245
Energy: 1.8202289228924193
Energy: 1.6460772771008245
Energy: 1.6591677949154429
Energy: 1.3756794344839545
Energy: 1.3724847535000897
Energy: 1.3756794344839545
Energy: 1.6997743283426041
Energy: 1.3841664689492625
Energy: 1.3896143044741716
Energy: 1.3841664689500177
Energy: 1.6625294355395381
Energy: 1.3771226744298404
Energy: 1.3804415959915408
Energy: 1.3771226744283298
Energy: 1.7503230724163656
Energy: 1.3740945136785296
Energy: 1.3750285791978973
Energy: 1.3740945136777742
Energy: 1.7505547957130436
Energy: 1.3760395362945677
Energy: 1.3747727731059738
Energy: 1.3760395362938125
Energy: 1.661750857356286
Energy: 1.6399007100045047
Energy: 1.6619721155953497
Energy: 1.6399007100060154
Energy: 1.6403298561244424
Energy: 1.6419501890626398
Energy: 1.6612192261166203
Energy: 1.6419501890603736
Energy: 1.4704676518010251
Energy: 1.5535003092907365
Energy: 1.4524714834378813
Energy: 1.5535003092907365
Energy: 1.643395877033021
Energy: 1.4774416578204086
Energy: 1.3704795512763068
Energy: 1.4774416578204086
Energy: 1.527727422517179
Energy: 1.4526525268827168
Energy: 1.4536102713050076
Energy: 1.4526525268827168
Energy: 1.7475000443105357
Energy: 1.4626200786680015
Energy: 1.4617191895620465
Energy: 1.4626200786680015
Energy: 1.4710762922211011
Energy: 1.4524833840124955
Energy: 1.6608517681969044
Energy: 1.4524833840124955
Energy: 1.4563574679524298
Energy: 1.4537350088138714
Energy: 1.6371289592005653
Energy: 1.4537350088138714
Energy: 1.459430059762369
Energy: 1.4700360507127055
Energy: 1.641926917661591
Energy: 1.4700360507134609
Energy: 1.4700696348613236
Energy: 1.5645789559605348
Energy: 1.5624900254368053
Energy: 1.5645789559605348
Energy: 1.4548715601015831
Energy: 1.5344535689821026
Energy: 1.5333207892219327
Energy: 1.5344535689805918
Energy: 1.8139981502560232
Energy: 1.6422781978298793
Energy: 1.6511660607739689
Energy: 1.642278197828369

minimum gb energy = 1.3704795512763068 eV
minimum distance =  2.22969253310026 Angstroms
sigma value = 73


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

Energy: 1.9286614673287221
Energy: 1.4635192554932315
Energy: 1.599576402702854
Energy: 1.6001880828244799
Energy: 1.4677164866390855
Energy: 1.4079128779402799
Energy: 1.5704246232249026
Energy: 1.4079128779402799
Energy: 1.4134950330605154
Energy: 1.410235498561504
Energy: 1.6450900725384316
Energy: 1.410235498561504
Energy: 1.4090511061480684
Energy: 1.408924926719523
Energy: 1.735455927490559
Energy: 1.408924926719523
Energy: 1.4092466918160929
Energy: 1.4101876306718575
Energy: 1.6556782706512867
Energy: 1.4101876306718575
Energy: 1.4080653641299063
Energy: 1.4102486054208982
Energy: 1.6563211781806118
Energy: 1.4102486054208982
Energy: 1.4711293980072975
Energy: 1.6151827237962588
Energy: 1.638816788407371
Energy: 1.6151827237962588
Energy: 1.4707801432587126
Energy: 1.613888194636666
Energy: 1.6154610192454528
Energy: 1.613888194636666
Energy: 1.4654143052954767
Energy: 1.5852550443661035
Energy: 1.6146342931851208
Energy: 1.5852550443661035
Energy: 1.4672716342174954
Energy: 1.5656874875004174
Energy: 1.6126942425906794
Energy: 1.5656874875004174
Energy: 1.4644434041520598
Energy: 1.3802821154571883
Energy: 1.3781762673643787
Energy: 1.3802821154571883
Energy: 1.4561921095528039
Energy: 1.382751147745527
Energy: 1.7010841482387427
Energy: 1.382751147745527
Energy: 1.6224480645480654
Energy: 1.50129713350228
Energy: 1.449991218886302
Energy: 1.50129713350228
Energy: 1.6215383751720012
Energy: 1.4622224507516661
Energy: 1.4574465890347075
Energy: 1.4622224507504675
Energy: 1.6446581621715606
Energy: 1.4520658322356494
Energy: 1.4517842074622787
Energy: 1.452065832236848
Energy: 1.6555931915127007
Energy: 1.4501345231626321
Energy: 1.4517812064797575
Energy: 1.4501345231626321
Energy: 1.6603400193508484
Energy: 1.5748636885758984
Energy: 1.4611200740336034
Energy: 1.5748636885747
Energy: 1.5743263650942545
Energy: 1.5735729296990106
Energy: 1.4709836871951683
Energy: 1.5735729296990106
Energy: 1.5747833505981987
Energy: 1.5261182662426365
Energy: 1.471987563350265
Energy: 1.5261182662426365
Energy: 1.583210589290758
Energy: 1.523052383972053
Energy: 1.569694510501858
Energy: 1.523052383972053
Energy: 1.5745193019543346
Energy: 1.5268598221164538
Energy: 1.466416791121716
Energy: 1.5268598221164538
Energy: 1.6517260404931815
Energy: 1.5692995207405704
Energy: 1.5700235995201772
Energy: 1.5692995207405704

minimum gb energy = 1.3781762673643787 eV
minimum distance =  2.21797626091387 Angstroms
sigma value = 7


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

Energy: 2.2212873730347376
Energy: 1.4172007785568779
Energy: 1.6018143780090714
Energy: 1.6021005903251975
Energy: 1.5364142243887464
Energy: 1.4086906045916827
Energy: 1.5550016531836597
Energy: 1.4086906045916827
Energy: 1.40565032678943
Energy: 1.4042813239048881
Energy: 1.5408036036324497
Energy: 1.4042813239040408
Energy: 1.4019785891135286
Energy: 1.4030482724378133
Energy: 1.5574224838822066
Energy: 1.4030482724386608
Energy: 1.4084520278781316
Energy: 1.4079336356806205
Energy: 1.660027670424126
Energy: 1.4079336356789258
Energy: 1.4038486361636524
Energy: 1.4119774143094026
Energy: 1.6592110374520108
Energy: 1.4119774143094026
Energy: 1.6568176211926169
Energy: 1.4048945348230766
Energy: 1.4022554716147022
Energy: 1.4048945348230766
Energy: 1.548439688450821
Energy: 1.414623617011025
Energy: 1.4125620162559784
Energy: 1.4146236170118727
Energy: 1.5533373267146886
Energy: 1.402836676723606
Energy: 1.4022809985407632
Energy: 1.402836676723606
Energy: 1.6704144323161891
Energy: 1.4053080979810604
Energy: 1.406682336465938
Energy: 1.4053080979810604
Energy: 1.5565957038771756
Energy: 1.5542663340500515
Energy: 1.4019390566863799
Energy: 1.5542663340492042
Energy: 1.5602180861777617
Energy: 1.5593251008409317
Energy: 1.5527191629294435
Energy: 1.5593251008417794
Energy: 1.5467575301982723
Energy: 1.506367566579067
Energy: 1.5589254794498781
Energy: 1.506367566579067
Energy: 1.543973660655838
Energy: 1.5023726335823029
Energy: 1.4177640263101787
Energy: 1.5023726335814556
Energy: 1.5583606015855487
Energy: 1.507560892801454
Energy: 1.4235647508386389
Energy: 1.5075608928023014
Energy: 1.647739216009141
Energy: 1.54616359062048
Energy: 1.5606522763436992
Energy: 1.54616359062048
Energy: 1.4120897761334785
Energy: 1.5516114506552983
Energy: 1.556897235403122
Energy: 1.5516114506544512
Energy: 1.4074282132019047
Energy: 1.4051993715336695
Energy: 1.541338770264219
Energy: 1.4051993715328224
Energy: 1.403106410555652
Energy: 1.4029141279095179
Energy: 1.5537552575564044
Energy: 1.4029141279095179
Energy: 1.4129342910111748
Energy: 1.4146099025989285
Energy: 1.4156188142421775
Energy: 1.414609902598081
Energy: 1.4021651998471016
Energy: 1.4053765185454303
Energy: 1.6622228984461134
Energy: 1.4053765185462779
Energy: 1.5469821263454462
Energy: 1.411291727152679
Energy: 1.4035473148547197
Energy: 1.4112917271535266
Energy: 1.5496876394104742
Energy: 1.4078566861047372
Energy: 1.4082139975009265
Energy: 1.4078566861047372
Energy: 1.7101544931802302
Energy: 1.402984661355546
Energy: 1.4022996816247764
Energy: 1.4029846613546986
Energy: 1.668545453614753
Energy: 1.4042065835740776
Energy: 1.4044498901588014
Energy: 1.4042065835757727
Energy: 1.6685575830622177
Energy: 1.4054704314079338
Energy: 1.4095217333291892
Energy: 1.4054704314079338
Energy: 1.601751174750208
Energy: 1.5654713018233244
Energy: 1.9424733443035522
Energy: 1.5654713018241715
Energy: 1.5526297778364189
Energy: 1.5080136098152424
Energy: 1.5590328475791981
Energy: 1.5080136098152424
Energy: 1.5445477670844403
Energy: 1.5036645246325582
Energy: 1.5481594210040415
Energy: 1.5036645246334055
Energy: 1.5613177564536471
Energy: 1.5068197897050302
Energy: 1.4173811933308633
Energy: 1.5068197897050302
Energy: 1.4118313989945568
Energy: 1.5579934908393982
Energy: 1.5589231231471425
Energy: 1.5579934908393982

minimum gb energy = 1.4019390566863799 eV
minimum distance =  2.21017865366065 Angstroms
sigma value = 29


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

Energy: 1.3105203099477032
Energy: 1.3124270535512075
Energy: 1.3394571739650136
Energy: 1.593332394371812
Energy: 1.3459869933300521
Energy: 1.4674439633731897
Energy: 1.345534894748503
Energy: 1.4674439633731897
Energy: 1.3313301795577142
Energy: 1.4339753166764335
Energy: 1.317210834715512
Energy: 1.4339753166761382
Energy: 1.318727057076137
Energy: 1.337892830846975
Energy: 1.3382440898268015
Energy: 1.3378928308466798
Energy: 1.3340214680245472
Energy: 1.3411253861150072
Energy: 1.3195517378266526
Energy: 1.3411253861147119
Energy: 1.3371355256507085
Energy: 1.443294844625087
Energy: 1.3218439475194674
Energy: 1.4432948446253822
Energy: 1.3170643133983964
Energy: 1.4328263796759475
Energy: 1.332703107287865
Energy: 1.4328263796759475
Energy: 1.3430552317837265
Energy: 1.344753878733509
Energy: 1.3184259936213507
Energy: 1.344753878733509
Energy: 1.3193127508503877
Energy: 1.3397430917438498
Energy: 1.3425027330252008
Energy: 1.339743091744145

minimum gb energy = 1.3105203099477032 eV
minimum distance =  2.25470936616539 Angstroms
sigma value = 5


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

Energy: 1.9015210239008622
Energy: 1.3075631848472506
Energy: 1.5306103935617754
Energy: 1.3307697198053512
Energy: 1.442984990617447
Energy: 1.3324393480811358
Energy: 1.5522732237746995
Energy: 1.3324393480827366
Energy: 1.557710259451387
Energy: 1.449484276766062
Energy: 1.5581657155561657
Energy: 1.4494842767652618
Energy: 1.4568791514107964
Energy: 1.328474650841068
Energy: 1.5411986595582783
Energy: 1.3284746508386667
Energy: 1.4504763245462382
Energy: 1.3297074368109962
Energy: 1.4631487733936177
Energy: 1.3297074368101958
Energy: 1.330904944112869
Energy: 1.330679037159019
Energy: 1.4647149422450716
Energy: 1.3306790371582187
Energy: 1.3281912558105988
Energy: 1.3274373128823567
Energy: 1.542570564179851
Energy: 1.327437312881556
Energy: 1.329989782238791
Energy: 1.3340964315622401
Energy: 1.649177860112369
Energy: 1.3340964315614396
Energy: 1.41227581923582
Energy: 1.389123283713006
Energy: 1.6490405676912685
Energy: 1.3891232837122054
Energy: 1.6664364056701229
Energy: 1.3085600827531536
Energy: 1.3182762867669038
Energy: 1.3085600827547545
Energy: 1.4117258309487177
Energy: 1.3042084624163321
Energy: 1.3090812510586014
Energy: 1.3042084624171328
Energy: 1.656077816830265
Energy: 1.3059367003873517
Energy: 1.3029742153960973
Energy: 1.3059367003865512
Energy: 1.657237815001356
Energy: 1.304398165610383
Energy: 1.3212388436590499
Energy: 1.3043981656111832
Energy: 1.4740146163108758
Energy: 1.2888888989188505
Energy: 1.6529400751121428
Energy: 1.2888888989188505
Energy: 1.4041489096125535
Energy: 1.2866259689616588
Energy: 1.6494244389997568
Energy: 1.2866259689624595
Energy: 1.4077243565312083
Energy: 1.2876623248682437
Energy: 1.3509484187176082
Energy: 1.2876623248682437
Energy: 1.4007022868964267
Energy: 1.396233577184763
Energy: 1.349488685085339
Energy: 1.396233577184763
Energy: 1.6085118281902449
Energy: 1.2919645958337516
Energy: 1.3515275311016928
Energy: 1.2919645958329513
Energy: 1.6215911468992257
Energy: 1.4121493452047031
Energy: 1.353440667001857
Energy: 1.4121493452055036
Energy: 1.6038302837919578
Energy: 1.518874068580988
Energy: 1.4557859591533187
Energy: 1.518874068582589
Energy: 1.466498343341899
Energy: 1.3442171587574738
Energy: 1.3576662204441454
Energy: 1.3442171587558727
Energy: 1.4620969344340782
Energy: 1.3358432621164142
Energy: 1.3370850303739321
Energy: 1.3358432621172147
Energy: 1.5900736684364325
Energy: 1.3349519129577885
Energy: 1.3373399742633942
Energy: 1.3349519129569882
Energy: 1.6591305643844427
Energy: 1.3391947449461272
Energy: 1.3447944145395274
Energy: 1.339194744947728
Energy: 1.6510904602011842
Energy: 1.482030892313283
Energy: 1.363440785157335
Energy: 1.482030892313283
Energy: 1.2993123193051503
Energy: 1.3031266048676886
Energy: 1.6665144122946702
Energy: 1.303126604868489
Energy: 1.3102294451992136
Energy: 1.2998460325108676
Energy: 1.3922805617502434
Energy: 1.299846032511668
Energy: 1.297661397911401
Energy: 1.301682328458034
Energy: 1.366592716035826
Energy: 1.3016823284588346
Energy: 1.2968890458218487
Energy: 1.2987893165680382
Energy: 1.6606246661217263
Energy: 1.2987893165672377
Energy: 1.650489372612944
Energy: 1.3804335613769403
Energy: 1.3610997256649533
Energy: 1.3804335613769403
Energy: 1.6515369610335568
Energy: 1.328638795533664
Energy: 1.3344841012040547
Energy: 1.3286387955328638
Energy: 1.4477244950367054
Energy: 1.3277082091951737
Energy: 1.3345633283504852
Energy: 1.3277082091959742
Energy: 1.33785143650924
Energy: 1.326870184649233
Energy: 1.3281161371088626
Energy: 1.3268701846508337

minimum gb energy = 1.2866259689616588 eV
minimum distance =  2.20885983651307 Angstroms
sigma value = 1


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

Energy: 1.880601427886065
Energy: 1.226870379086852
Energy: 1.2652458953303174
Energy: 1.2651907240057598
Energy: 1.3012840860220725
Energy: 1.2682398536121535
Energy: 1.5369838517388525
Energy: 1.2682398536132604
Energy: 1.5370969226373188
Energy: 1.4174281671579025
Energy: 1.5404397836135977
Energy: 1.4174281671579025
Energy: 1.2954923503667746
Energy: 1.4196159779457769
Energy: 1.5163606173893516
Energy: 1.4196159779457769
Energy: 1.2646837447812438
Energy: 1.2630059776298803
Energy: 1.5573515488283658
Energy: 1.2630059776298803
Energy: 1.2634951800054561
Energy: 1.2661266205996768
Energy: 1.5576640730612574
Energy: 1.2661266205996768
Energy: 1.2602936228847512
Energy: 1.2618261884776039
Energy: 1.5170014571857424
Energy: 1.2618261884764974
Energy: 1.2765646674761977
Energy: 1.2724877139362618
Energy: 1.7254493129635742
Energy: 1.2724877139351551
Energy: 1.519085724669268
Energy: 1.3516854530400029
Energy: 1.7270923165614143
Energy: 1.3516854530400029
Energy: 1.5845708583000981
Energy: 1.2750034961806433
Energy: 1.2969834383044194
Energy: 1.2750034961817502
Energy: 1.5181065128485591
Energy: 1.2617678971044546
Energy: 1.261251112278765
Energy: 1.261767897106668
Energy: 1.2273310602784677
Energy: 1.2801234740404484
Energy: 1.264046167814931
Energy: 1.2801234740404484
Energy: 1.7277269724439197
Energy: 1.2632632618451827
Energy: 1.2631528688220797
Energy: 1.263263261844076
Energy: 1.2663734906695896
Energy: 1.4182175720210295
Energy: 1.5398581978976573
Energy: 1.4182175720210295
Energy: 1.2983188003570145
Energy: 1.416138827056353
Energy: 1.5370894711658796
Energy: 1.416138827056353
Energy: 1.2931790319779677
Energy: 1.2658625422756042
Energy: 1.267269700039668
Energy: 1.2658625422744976
Energy: 1.2646576004302366
Energy: 1.2654390857592466
Energy: 1.5587248724976974
Energy: 1.2654390857570328
Energy: 1.2779669427628035
Energy: 1.2733101233745474
Energy: 1.5133751921709067
Energy: 1.2733101233734407
Energy: 1.2605901535357047
Energy: 1.2627601004248319
Energy: 1.727594348583716
Energy: 1.2627601004248319
Energy: 1.2668238227380457
Energy: 1.2766961237169085
Energy: 1.7253001063552509
Energy: 1.2766961237113748
Energy: 1.5569079157429184
Energy: 1.3418109402980491
Energy: 1.267305590340542
Energy: 1.3418109402980491
Energy: 1.558943791824698
Energy: 1.2654351080901753
Energy: 1.2687864307815373
Energy: 1.2654351080890682
Energy: 1.266724000128642
Energy: 1.2620876786311452
Energy: 1.2635849438605828
Energy: 1.2620876786311452
Energy: 1.728304177714912
Energy: 1.2631206387328442
Energy: 1.2626497983655782
Energy: 1.2631206387328442

minimum gb energy = 1.226870379086852 eV
minimum distance =  2.22797939457283 Angstroms
sigma value = 17


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

Energy: 2.000308069888832
Energy: 1.2279823778135928
Energy: 1.4829938739090087
Energy: 1.2566763148883597
Energy: 1.3369112651398676
Energy: 1.254496651821584
Energy: 1.4230463913426852
Energy: 1.254496651822268
Energy: 1.6200940888317603
Energy: 1.249359878189691
Energy: 1.4492879476636262
Energy: 1.2493598781951636
Energy: 1.6219711906357392
Energy: 1.3326066014245497
Energy: 1.40814029815996
Energy: 1.3326066014252338
Energy: 1.3885814744560545
Energy: 1.2286210279774563
Energy: 1.4243494684502778
Energy: 1.2286210279767724
Energy: 1.2295838360700861
Energy: 1.228127085746734
Energy: 1.3900591098343649
Energy: 1.228127085746734
Energy: 1.2296551290995066
Energy: 1.2273696424661287
Energy: 1.274269774331947
Energy: 1.2273696424661287
Energy: 1.2402797113513178
Energy: 1.2310841664553853
Energy: 1.2301235860347195
Energy: 1.2310841664553853
Energy: 1.6004547538557294
Energy: 1.2316510533289307
Energy: 1.5519319070688173
Energy: 1.231651053329615
Energy: 1.4465417690111178
Energy: 1.3335136672444066
Energy: 1.4257631231594876
Energy: 1.3335136672437222
Energy: 1.391199496355664
Energy: 1.2499624521344648
Energy: 1.268479679471366
Energy: 1.2499624521337809
Energy: 1.3860354045736356
Energy: 1.2615287542492222
Energy: 1.410478698158607
Energy: 1.2615287542492222
Energy: 1.3872933509592538
Energy: 1.2507725713878837
Energy: 1.251608232060059
Energy: 1.2507725713878837
Energy: 1.2517899942778181
Energy: 1.2496162262750359
Energy: 1.2536680183482702
Energy: 1.2496162262750359
Energy: 1.615266392667275
Energy: 1.2541172558114209
Energy: 1.2643605266890106
Energy: 1.2541172558114209
Energy: 1.436136711918771
Energy: 1.2574819820385905
Energy: 1.2559039853281304
Energy: 1.2574819820379066
Energy: 1.250891998643776
Energy: 1.2603850162079229
Energy: 1.433492280009164
Energy: 1.260385016207239
Energy: 1.2504475879355632
Energy: 1.2494457832240535
Energy: 1.6033644775875466
Energy: 1.2494457832240535
Energy: 1.277673654141124
Energy: 1.2549739732936895
Energy: 1.546634252776542
Energy: 1.2549739732930052
Energy: 1.2531404237629817
Energy: 1.407728301607425
Energy: 1.2330232230516216
Energy: 1.407728301607425
Energy: 1.4548347713106116
Energy: 1.2534625880570094
Energy: 1.2530751416034474
Energy: 1.2534625880563253
Energy: 1.4515035792594115
Energy: 1.2571821063917157
Energy: 1.6164847601429144
Energy: 1.2571821063937678
Energy: 1.4085677416559974
Energy: 1.328540636222009
Energy: 1.6186115027475159
Energy: 1.328540636222009
Energy: 1.4257300695369113
Energy: 1.2308761935240506
Energy: 1.3877973909526746
Energy: 1.2308761935233665
Energy: 1.3888535544737222
Energy: 1.229217983081679
Energy: 1.2281345256098606
Energy: 1.229217983081679
Energy: 1.4120333593623429
Energy: 1.2288150930488007
Energy: 1.2352530805559245
Energy: 1.2288150930494846
Energy: 1.2373246460441156
Energy: 1.2332249030116935
Energy: 1.242678203829452
Energy: 1.2332249030116935
Energy: 1.4116145708399648
Energy: 1.2322323612352672
Energy: 1.6063018684888595
Energy: 1.2322323612352672
Energy: 1.4233467128430706
Energy: 1.331522891840656
Energy: 1.4463909803280364
Energy: 1.331522891839288
Energy: 1.270226833745952
Energy: 1.2499343168853572
Energy: 1.3902254846723612
Energy: 1.2499343168853572
Energy: 1.4096395307074123
Energy: 1.2500148734132328
Energy: 1.3873057044403658
Energy: 1.2500148734132328
Energy: 1.2503003492107547
Energy: 1.2502347801711027
Energy: 1.3859348888225804
Energy: 1.2502347801711027
Energy: 1.2502484565396443
Energy: 1.2487752160283991
Energy: 1.252350085469262
Energy: 1.248775216029083
Energy: 1.2634236172333324
Energy: 1.2564560268276068
Energy: 1.6186466637253958
Energy: 1.256456026828291
Energy: 1.2578096360602848
Energy: 1.3014150366859996
Energy: 1.4371359545606281
Energy: 1.3014150366866835
Energy: 1.8136914279733483
Energy: 1.2612118623524482
Energy: 1.2513494186041367
Energy: 1.2612118623524482
Energy: 1.596947335538411
Energy: 1.249503459067203
Energy: 1.2513729615265778
Energy: 1.249503459067203
Energy: 1.5533555091442783
Energy: 1.2606010146070465
Energy: 1.2511288025525489
Energy: 1.2606010146063626

minimum gb energy = 1.2273696424661287 eV
minimum distance =  2.21983176044401 Angstroms
sigma value = 89


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

Energy: 2.107824487142092
Energy: 1.198999393922909
Energy: 1.1511077625126007
Energy: 1.1510159879660884
Energy: 1.1465711239646361
Energy: 1.2792756791085222
Energy: 1.1518057378107052
Energy: 1.2792756791085222
Energy: 1.1370807534499812
Energy: 1.28041174875161
Energy: 1.1836495326369667
Energy: 1.2804117487498201
Energy: 1.1406361241003131
Energy: 1.2813561373068452
Energy: 1.1497916389052891
Energy: 1.2813561373068452
Energy: 1.1487756811182144
Energy: 1.1491841828970129
Energy: 1.17345960762548
Energy: 1.1491841828970129
Energy: 1.1483836554125308
Energy: 1.1479632919607707
Energy: 1.172260222934749
Energy: 1.1479632919607707
Energy: 1.1474281600043508
Energy: 1.146169495612326
Energy: 1.1509303522056797
Energy: 1.146169495612326
Energy: 1.1494074236209684
Energy: 1.1520154467256918
Energy: 1.1370136533065212
Energy: 1.1520154467256918
Energy: 1.1523600931892224
Energy: 1.152898988734488
Energy: 1.1366386317649098
Energy: 1.152898988734488
Energy: 1.181940963826887
Energy: 1.2830963676089935
Energy: 1.152670426416575
Energy: 1.2830963676089935
Energy: 1.1511616786204246
Energy: 1.2684918458420709
Energy: 1.136384345841411
Energy: 1.2684918458420709
Energy: 1.1719941153589757
Energy: 1.1581500924389776
Energy: 1.151546501933304
Energy: 1.1581500924389776
Energy: 1.1724713369266877
Energy: 1.1513178201920413
Energy: 1.1487108921412883
Energy: 1.1513178201920413
Energy: 1.1505753786726685
Energy: 1.1453539315077297
Energy: 1.1454832009145013
Energy: 1.1453539315095196
Energy: 1.1368660169532467
Energy: 1.1499545138517144
Energy: 1.1519442623000269
Energy: 1.1499545138517144

minimum gb energy = 1.136384345841411 eV
minimum distance =  2.24714437493894 Angstroms
sigma value = 13


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

Energy: 1.8806503910585557
Energy: 1.0873507386746837
Energy: 1.3763317530926789
Energy: 1.0953496995039276
Energy: 1.0998087587813978
Energy: 1.0935561261295397
Energy: 1.2866355859253953
Energy: 1.0935561261280393
Energy: 1.099768639799435
Energy: 1.09181756879011
Energy: 1.2941272845818768
Energy: 1.0918175687886094
Energy: 1.475170404696824
Energy: 1.097139150543703
Energy: 1.272221030275228
Energy: 1.097139150543703
Energy: 1.2801385212199223
Energy: 1.0935688736557088
Energy: 1.290268994307498
Energy: 1.093568873656459
Energy: 1.274983914181744
Energy: 1.0938773131346942
Energy: 1.3104759333197182
Energy: 1.0938773131346942
Energy: 1.2953159396086493
Energy: 1.0926685082319716
Energy: 1.2689292787759074
Energy: 1.092668508232722
Energy: 1.2749323914198154
Energy: 1.0913214123207837
Energy: 1.263891000140945
Energy: 1.0913214123192831
Energy: 1.090540542463146
Energy: 1.096779627447317
Energy: 1.2749730538057458
Energy: 1.0967796274465667
Energy: 1.0910475517714537
Energy: 1.0912927867425248
Energy: 1.2764444388441973
Energy: 1.0912927867425248
Energy: 1.0938633760143701
Energy: 1.1120512144594281
Energy: 1.8806655279556563
Energy: 1.1120512144594281
Energy: 1.2670900256111441
Energy: 1.0916078947496004
Energy: 1.2771173607471564
Energy: 1.0916078947473498
Energy: 1.2919010215208393
Energy: 1.1663446086406284
Energy: 1.2662293566655316
Energy: 1.1663446086406284
Energy: 1.2728323667700365
Energy: 1.1711987884741146
Energy: 1.4780315274367661
Energy: 1.1711987884741146
Energy: 1.2812452535465568
Energy: 1.094613439646779
Energy: 1.273865089716714
Energy: 1.0946134396452785
Energy: 1.2801274516137024
Energy: 1.0933401622483778
Energy: 1.0970475935553938
Energy: 1.0933401622483778
Energy: 1.478305269791656
Energy: 1.0915496844028527
Energy: 1.096719061547764
Energy: 1.091549684404353
Energy: 1.1038351824907284
Energy: 1.0910790537543613
Energy: 1.094084079660165
Energy: 1.0910790537543613
Energy: 1.428593268550978
Energy: 1.0958526685411547
Energy: 1.2665101075847236
Energy: 1.0958526685419048
Energy: 1.274047415165372
Energy: 1.0907449093305792
Energy: 1.2892152943737485
Energy: 1.0907449093343302
Energy: 1.475084367924959
Energy: 1.092515527799088
Energy: 1.2676777468241094
Energy: 1.0925155277968372
Energy: 1.275504422522494
Energy: 1.1847568699220046
Energy: 1.2647101059577932
Energy: 1.1847568699220046
Energy: 1.2786042151744694
Energy: 1.0945052404541151
Energy: 1.289533758879004
Energy: 1.094505240453365
Energy: 1.0992065557800255
Energy: 1.09051782939763
Energy: 1.2718454239998742
Energy: 1.09051782939763
Energy: 1.269346983505252
Energy: 1.0931489682079638
Energy: 1.2710180181283117
Energy: 1.0931489682064635
Energy: 1.0939151538843785
Energy: 1.0909091483585152
Energy: 1.2770368661604643
Energy: 1.0909091483592652
Energy: 1.091301845772464
Energy: 1.0896928093191478
Energy: 1.2729825727247428
Energy: 1.0896928093206484
Energy: 1.1139126685357386
Energy: 1.0978610026626403
Energy: 1.0987306033417832
Energy: 1.0978610026626403
Energy: 1.2655681703516708
Energy: 1.0951013015482018
Energy: 1.4301525100788617
Energy: 1.0951013015489521
Energy: 1.2870610131966167
Energy: 1.171861340662567
Energy: 1.2660116409238247
Energy: 1.171861340661817
Energy: 1.4779520894469245
Energy: 1.165255713676041
Energy: 1.4767072113869688
Energy: 1.1652557136752908
Energy: 1.2804531778234536
Energy: 1.0925649654611533
Energy: 1.2659446453963095
Energy: 1.0925649654619036
Energy: 1.2817304137001628
Energy: 1.0950398804672188
Energy: 1.1176550153411202
Energy: 1.0950398804687191
Energy: 1.4821840513731215
Energy: 1.0898123222862484
Energy: 1.0915748492799626
Energy: 1.0898123222869986
Energy: 1.428653338725759
Energy: 1.0933555939488138
Energy: 1.0987878578059378
Energy: 1.093355593946563

minimum gb energy = 1.0873507386746837 eV
minimum distance =  2.24144283554291 Angstroms
sigma value = 37


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

Energy: 1.8354978434993685
Energy: 1.019363462328649
Energy: 1.0310121505910703
Energy: 1.031337314524967
Energy: 1.4694802429711764
Energy: 1.03217103814137
Energy: 1.3479203908989068
Energy: 1.03217103814137
Energy: 1.471072779696374
Energy: 1.0300673241039409
Energy: 1.3424241562032015
Energy: 1.0300673241039409
Energy: 1.4703343027240683
Energy: 1.2985588041370002
Energy: 1.3122243904414235
Energy: 1.2985588041370002
Energy: 1.6023133749296172
Energy: 1.0119298774413685
Energy: 1.472331746140296
Energy: 1.0119298774413685
Energy: 1.3090700479148656
Energy: 1.011911940623481
Energy: 1.4991732613657014
Energy: 1.011911940623481
Energy: 1.1681041204784182
Energy: 1.010454493794442
Energy: 1.600584481583854
Energy: 1.010454493794442
Energy: 1.1795025866406834
Energy: 0.9998729867613876
Energy: 1.4813416946205382
Energy: 0.9998729867613876
Energy: 1.1561484117662224
Energy: 1.0051078574937573
Energy: 1.4803613482679163
Energy: 1.0051078574937573
Energy: 1.1555434342970619
Energy: 0.995123007901093
Energy: 1.597161968548544
Energy: 0.995123007901093
Energy: 1.2165237890817493
Energy: 1.216640079801587
Energy: 1.6537921075218294
Energy: 1.216640079801587
Energy: 1.4587043142732168
Energy: 0.9947304967027527
Energy: 1.5971878704650597
Energy: 0.9947304967027527
Energy: 1.4571174279243917
Energy: 0.9940307980746547
Energy: 1.470610096731114
Energy: 0.9940307980746547
Energy: 1.4567427707009506
Energy: 1.1319165704917369
Energy: 1.4704100764751638
Energy: 1.1319165704917369
Energy: 1.472331746140296
Energy: 1.1517441248820053
Energy: 1.599204059158959
Energy: 1.1517441248820053
Energy: 1.4991732613657014
Energy: 1.1509277495513404
Energy: 1.3374406136977657
Energy: 1.150927749552631
Energy: 1.6039734613731946
Energy: 1.3334586417112075
Energy: 1.167944235535684
Energy: 1.3334586417112075
Energy: 1.4813416947224465
Energy: 1.16629456626731
Energy: 0.9945104562431268
Energy: 1.16629456626731
Energy: 1.4803613482949922
Energy: 1.0295570166393773
Energy: 1.0301459875525252
Energy: 1.0295570166393773
Energy: 1.602727300489142
Energy: 1.0322557202907834
Energy: 1.0431080890459612
Energy: 1.0322557202907834

minimum gb energy = 0.9940307980746547 eV
minimum distance =  2.22696925118482 Angstroms
sigma value = 25


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

Energy: 2.0912245377041367
Energy: 0.92294539258539
Energy: 1.2477320540494965
Energy: 0.9158227689567014
Energy: 1.4984994825575395
Energy: 0.9137442939910909
Energy: 1.1693028758338517
Energy: 0.9137442939910909
Energy: 1.690493691636645
Energy: 0.9125434741038259
Energy: 1.1655567237433884
Energy: 0.9125434741038259
Energy: 1.5009337820038307
Energy: 0.9243654664929678
Energy: 1.3767960627375257
Energy: 0.9243654664939757
Energy: 1.6016002565396987
Energy: 1.0253565460370995
Energy: 1.599152771834593
Energy: 1.0253565460360916
Energy: 1.4940104998575832
Energy: 1.0227709239088205
Energy: 1.6028898313894695
Energy: 1.0227709239078127
Energy: 1.491958526663736
Energy: 0.903923818982001
Energy: 1.592444205759917
Energy: 0.903923818980993
Energy: 1.1314517893178773
Energy: 0.90280542454152
Energy: 1.6812023845786255
Energy: 0.9028054245405122
Energy: 1.1563242928467508
Energy: 0.90465823570449
Energy: 1.3946996180238107
Energy: 0.904658235705498
Energy: 1.1401190972021715
Energy: 0.9058121230809881
Energy: 1.7742720112581627
Energy: 0.9058121230799802
Energy: 1.0241326018012855
Energy: 0.8947607667272871
Energy: 1.8059287761495475
Energy: 0.8947607667272871
Energy: 1.0284059297033308
Energy: 0.9067047607516456
Energy: 1.7737572928416026
Energy: 0.9067047607526535
Energy: 1.02891845942555
Energy: 0.8978727594603002
Energy: 1.392747697357953
Energy: 0.8978727594603002
Energy: 1.057834406749792
Energy: 0.8950542660850876
Energy: 1.7682005715325833
Energy: 0.8950542660850876
Energy: 1.2725749504387058
Energy: 0.895031928041849
Energy: 1.7831804156298579
Energy: 0.8950319280408868
Energy: 1.2716774518752854
Energy: 0.8964047387960069
Energy: 1.6906716856218602
Energy: 0.8964047387939912
Energy: 1.3994698163212893
Energy: 0.8979793617347029
Energy: 1.6916973321590576
Energy: 0.8979793617357108
Energy: 1.2702401798903045
Energy: 1.0222517063518672
Energy: 1.392749105729188
Energy: 1.0222517063518672
Energy: 1.5718409435873206
Energy: 1.0166015744899497
Energy: 1.4986595263745903
Energy: 1.0166015744899497
Energy: 1.60404401316717
Energy: 1.0147724267658838
Energy: 1.4950362326646198
Energy: 1.0147724267658838
Energy: 1.8080892281064347
Energy: 0.9167094852060599
Energy: 1.1584357237691068
Energy: 0.916709485204044
Energy: 1.8003408892363548
Energy: 0.9114718298452223
Energy: 1.023576784987802
Energy: 0.9114718298452223
Energy: 1.5022070813593948
Energy: 0.9169321705444474
Energy: 1.1584074294190432
Energy: 0.9169321705444474
Energy: 1.679707844510599
Energy: 0.9260685431947255
Energy: 0.9124604624780216
Energy: 0.9260685431957334
Energy: 1.7954575274161328
Energy: 0.913038460317718
Energy: 0.9156279831710613
Energy: 0.9130384603187258
Energy: 1.6879075620728103
Energy: 0.9140021535508305
Energy: 0.9159087828977402
Energy: 0.9140021535498225

minimum gb energy = 0.8947607667272871 eV
minimum distance =  2.23234402766309 Angstroms
sigma value = 41


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

Energy: 2.1281205046088276
Energy: 0.8405778528470668
Energy: 1.179644783312201
Energy: 0.8239075763090428
Energy: 1.5750450530332654
Energy: 0.8229791027627755
Energy: 1.0268635748966097
Energy: 0.8229791027644281
Energy: 1.8960012444190393
Energy: 0.8209026989613845
Energy: 1.031700023343536
Energy: 0.8209026989605582
Energy: 1.5694092533821329
Energy: 0.8251928198912591
Energy: 1.260895833915558
Energy: 0.8251928198920855
Energy: 1.5849510710863395
Energy: 0.818720129453265
Energy: 1.4082069583338162
Energy: 0.818720129453265
Energy: 1.5743162504465316
Energy: 0.8201839655516987
Energy: 1.4062974594519821
Energy: 0.8201839655508725
Energy: 1.5814679546025439
Energy: 0.9158437708880283
Energy: 1.5846048918577522
Energy: 0.9158437708888546
Energy: 1.4073638553186714
Energy: 0.9168254699064268
Energy: 1.4066888924702423
Energy: 0.9168254699064268
Energy: 1.2321596857029422
Energy: 0.8213335999780915
Energy: 1.7352817296081247
Energy: 0.8213335999813968
Energy: 1.2343273043867686
Energy: 0.8191190961295765
Energy: 1.5852760537640858
Energy: 0.8191190961403184
Energy: 1.027944790167628
Energy: 0.8278865519445736
Energy: 1.7301759783506532
Energy: 0.827886551942921
Energy: 1.0249518555570984
Energy: 0.81933067164015
Energy: 1.7321557860997738
Energy: 0.8193306716409764
Energy: 1.028905957808482
Energy: 0.8236623182828143
Energy: 1.729950510394243
Energy: 0.823662318281988
Energy: 0.8209968545810221
Energy: 0.825420420987777
Energy: 1.7266900198971846
Energy: 0.8254204209869507
Energy: 0.8235782957748643
Energy: 0.8207901109444791
Energy: 1.7341712774183196
Energy: 0.8207901109453054
Energy: 0.8299082558739037
Energy: 0.8238487462324796
Energy: 1.8964891654417937
Energy: 0.8238487462308268
Energy: 1.0283916751416
Energy: 0.8267466290828539
Energy: 1.8820710739459603
Energy: 0.8267466290828539
Energy: 1.021503494562421
Energy: 0.8189528810373206
Energy: 1.8903319502682634
Energy: 0.8189528810373206
Energy: 1.031234408473826
Energy: 0.8253207373458405
Energy: 1.5785505792569152
Energy: 0.8253207373474931
Energy: 1.4101612630901834
Energy: 0.8228600217399684
Energy: 1.575207355965813
Energy: 0.8228600217424473
Energy: 1.4103908400550815
Energy: 0.8204702042402902
Energy: 1.731941206933256
Energy: 0.8204702042386376
Energy: 1.4110317909927146
Energy: 0.9119940455057547
Energy: 1.5703269413766945
Energy: 0.9119940455065809
Energy: 1.736064314823984
Energy: 0.9103288158830115
Energy: 1.5713905908051506
Energy: 0.9103288158838377
Energy: 1.4058455957185385
Energy: 0.9138429017196189
Energy: 1.4094697844150454
Energy: 0.9138429017196189
Energy: 1.7334390001386828
Energy: 0.8201547774974972
Energy: 1.2198655143089467
Energy: 0.8201547774999763
Energy: 1.7357248726224015
Energy: 0.8221556632151127
Energy: 1.4058605659752224
Energy: 0.8221556632142862
Energy: 1.7296610473355891
Energy: 0.8258977806243972
Energy: 1.031949752374748
Energy: 0.8258977806235708
Energy: 1.736976822950194
Energy: 0.8198934117653304
Energy: 1.0204726477164456
Energy: 0.8198934117636777
Energy: 1.7277300426027806
Energy: 0.8259021681622924
Energy: 1.0386484608702233
Energy: 0.8259021681622924
Energy: 1.7358506846982173
Energy: 0.8242208656177489
Energy: 0.8239709799574453
Energy: 0.8242208656177489
Energy: 1.8894161370833735
Energy: 0.8215025662824148
Energy: 0.8228525048028433
Energy: 0.8215025662824148
Energy: 1.8817376480027634
Energy: 0.8231325258218182
Energy: 0.821577306367978
Energy: 0.823132525823471

minimum gb energy = 0.818720129453265 eV
minimum distance =  2.24789605834742 Angstroms
sigma value = 15


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

Energy: 1.8456861280692471
Energy: 0.781403631573117
Energy: 1.1350915009249867
Energy: 0.7623658213294484
Energy: 1.696857705730756
Energy: 0.7630687032033103
Energy: 0.93576718095329
Energy: 0.7630687032026103
Energy: 1.9769335767969227
Energy: 0.7615351801592991
Energy: 0.9408611197732607
Energy: 0.7615351801599992
Energy: 1.6937251092018035
Energy: 0.7649595439237329
Energy: 1.2808521135614095
Energy: 0.7649595439237329
Energy: 1.7069348187783524
Energy: 0.757684632466547
Energy: 1.2645307467019589
Energy: 0.7576846324651471
Energy: 1.701550943942614
Energy: 0.7591655201711955
Energy: 1.264129048280624
Energy: 0.7591655201648957
Energy: 1.416660908372981
Energy: 0.759023339495435
Energy: 1.560470401148634
Energy: 0.7590233394940349
Energy: 1.5680994733494489
Energy: 0.844978975761742
Energy: 1.2590872615981703
Energy: 0.844978975763142
Energy: 1.4135525630918915
Energy: 0.8360871261039283
Energy: 1.5543246178582035
Energy: 0.8360871261011283
Energy: 1.411255740962292
Energy: 0.8375326897866511
Energy: 1.8334778822976674
Energy: 0.8375326897733513
Energy: 1.2788569276864863
Energy: 0.7628163390002555
Energy: 1.5543518597103203
Energy: 0.7628163390009555
Energy: 1.0998405712509252
Energy: 0.7578615599642841
Energy: 1.8327568876949831
Energy: 0.7578615599642841
Energy: 1.2667080783893099
Energy: 0.759594315139615
Energy: 1.8364521521568224
Energy: 0.759594315139615
Energy: 0.9519559474992781
Energy: 0.765596651114429
Energy: 1.5665416879158032
Energy: 0.7655966511123289
Energy: 0.9292819572564274
Energy: 0.7587582726469022
Energy: 1.967060494511016
Energy: 0.7587582726462022
Energy: 0.9449670465917429
Energy: 0.7620027081999967
Energy: 1.8383008510863466
Energy: 0.7620027082013967
Energy: 0.7699605963233731
Energy: 0.7658415030105629
Energy: 1.8293232305993214
Energy: 0.765841503011263
Energy: 0.758966341505326
Energy: 0.7593889863188026
Energy: 1.966708845249221
Energy: 0.7593889863188026
Energy: 0.7678712117752596
Energy: 0.7643183804853201
Energy: 1.7058968367452432
Energy: 0.7643183804853201
Energy: 0.9473086780686114
Energy: 0.7625336332988168
Energy: 1.9800880975800044
Energy: 0.7625336332988168
Energy: 0.9255906598114018
Energy: 0.7590357772003804
Energy: 1.833236881116527
Energy: 0.7590357771996804
Energy: 0.9499677514435896
Energy: 0.7645747978512271
Energy: 1.7130220675879693
Energy: 0.7645747978491271
Energy: 1.2660062720982237
Energy: 0.7604564488271487
Energy: 1.6979077968911809
Energy: 0.7604564488264488
Energy: 1.2635150273205413
Energy: 0.7579904322343728
Energy: 1.8344591948748343
Energy: 0.7579904322301727
Energy: 1.2759764398341211
Energy: 0.7631944585594758
Energy: 1.4252117853610367
Energy: 0.7631944585594758
Energy: 1.55777872454459
Energy: 0.8367339579878209
Energy: 1.7113219465975766
Energy: 0.8367339579822209
Energy: 1.2613654603017352
Energy: 0.8364709215553338
Energy: 1.5564920363750665
Energy: 0.8364709215560336
Energy: 1.5668092275494685
Energy: 0.8441844327527073
Energy: 1.4252035699233845
Energy: 0.8441844327492075
Energy: 1.562571927389026
Energy: 0.7623630514833153
Energy: 1.559259248112717
Energy: 0.7623630514973153
Energy: 1.5568871781876226
Energy: 0.759150583811705
Energy: 1.2667883007572016
Energy: 0.7591505838103049
Energy: 1.703756889161396
Energy: 0.7587139879584399
Energy: 1.1010281986487438
Energy: 0.7587139879577399
Energy: 1.565080180569176
Energy: 0.7639859973900752
Energy: 1.2784585232116246
Energy: 0.7639859973872752
Energy: 1.8373628990846014
Energy: 0.761319631814605
Energy: 0.9426397107406632
Energy: 0.7613196318160051
Energy: 1.8311715876959136
Energy: 0.7616834785968563
Energy: 0.9430378655000085
Energy: 0.7616834785968563
Energy: 1.828332798546913
Energy: 0.7664692994324035
Energy: 0.7911826256445026
Energy: 0.7664692994296035
Energy: 1.831856162666236
Energy: 0.7612405551319664
Energy: 0.7673803135887342
Energy: 0.7612405551354665
Energy: 1.9711524529049
Energy: 0.7616002490734002
Energy: 0.7642673870073438
Energy: 0.7616002490734002

minimum gb energy = 0.7576846324651471 eV
minimum distance =  2.24959271966731 Angstroms
sigma value = 85


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

Energy: 1.9662479298940871
Energy: 0.7301268442224991
Energy: 0.6904386199483169
Energy: 0.6904448527631447
Energy: 1.7722058090728707
Energy: 0.6910715312974657
Energy: 0.841823880402429
Energy: 0.6910715312974657
Energy: 1.7713898304072855
Energy: 0.6906887834406145
Energy: 0.8375398836145506
Energy: 0.6906887834406145
Energy: 1.5161896185632318
Energy: 0.6888963410451969
Energy: 1.1336998629123733
Energy: 0.6888963410451969
Energy: 1.7807387603117972
Energy: 0.6880822379716435
Energy: 1.1312638359386273
Energy: 0.6880822379722504
Energy: 1.5198766738868732
Energy: 0.6891784660417041
Energy: 1.136812518911317
Energy: 0.6891784660410969
Energy: 1.51726801569963
Energy: 0.6896219655976574
Energy: 1.394421056198842
Energy: 0.6896219655970502
Energy: 1.6485755110261084
Energy: 0.6880507232343451
Energy: 1.1256507184347675
Energy: 0.6880507232331309
Energy: 1.5202843165825466
Energy: 0.6892634286363628
Energy: 1.3952588068001783
Energy: 0.689263428638184
Energy: 1.5243577421909082
Energy: 0.820294950083718
Energy: 1.6465030601341915
Energy: 0.820294950083111
Energy: 1.3945977139119863
Energy: 0.8194680213466128
Energy: 1.392435506517194
Energy: 0.8194680213453985
Energy: 1.2692054502951908
Energy: 0.6899869421770106
Energy: 1.6475947860754596
Energy: 0.6899869421782248
Energy: 1.3935465527476665
Energy: 0.6883618794568802
Energy: 1.6461585669983696
Energy: 0.688361879456273
Energy: 1.1343521331455053
Energy: 0.6903520748293811
Energy: 1.3894197684953395
Energy: 0.6903520748548795
Energy: 0.979502529383197
Energy: 0.6883310446227064
Energy: 1.890361619317627
Energy: 0.6883310446239207
Energy: 1.1341883764538636
Energy: 0.6917800898800521
Energy: 1.6472870355322284
Energy: 0.6917800898788379
Energy: 0.8450650616495191
Energy: 0.6886806080747028
Energy: 1.642923667009828
Energy: 0.6886806080728813
Energy: 0.8345295844515813
Energy: 0.6885525449130265
Energy: 1.780037614914656
Energy: 0.6885525449136337
Energy: 0.8439112506663825
Energy: 0.6891761392400825
Energy: 1.8854388237865567
Energy: 0.6891761392406895
Energy: 0.6890948476812903
Energy: 0.6939818950692248
Energy: 1.8850433994741458
Energy: 0.6939818950686176
Energy: 0.6896259722197995
Energy: 0.6887919728651685
Energy: 1.894026330055753
Energy: 0.6887919728645613
Energy: 0.6943130529448374
Energy: 0.6904156140463682
Energy: 1.7657552014545983
Energy: 0.6904156140463682
Energy: 0.8530496189193548
Energy: 0.6915014251007934
Energy: 2.0015574880554796
Energy: 0.6915014251007934
Energy: 0.8391258805384166
Energy: 0.6884419717536532
Energy: 1.8919251006984468
Energy: 0.6884419717536532
Energy: 0.8449752433556249
Energy: 0.6890644640912562
Energy: 1.5169539123884717
Energy: 0.6890644640912562
Energy: 1.1350455895811011
Energy: 0.6890584896035508
Energy: 2.005551586986722
Energy: 0.6890584896035508
Energy: 1.132302612784258
Energy: 0.6883591401556864
Energy: 1.7715385277100433
Energy: 0.6883591401562935
Energy: 1.2972672274879289
Energy: 0.6921857993593425
Energy: 1.5208902503667947
Energy: 0.692185799356914
Energy: 1.3984035462273672
Energy: 0.6882966463881715
Energy: 1.7807554604027687
Energy: 0.6882966463875645
Energy: 1.3945459250194305
Energy: 0.6895608807116663
Energy: 1.5207163023722254
Energy: 0.6895608807104522
Energy: 1.6521046632777527
Energy: 0.8207366068008608
Energy: 1.2676039007296926
Energy: 0.8207366068227165
Energy: 1.39157164249326
Energy: 0.8210338694727358
Energy: 1.5394001135680964
Energy: 0.8210338694715216
Energy: 1.6487311113678649
Energy: 0.6893873253428896
Energy: 1.2632797788286565
Energy: 0.6893873253416755
Energy: 1.78297331613365
Energy: 0.6882886874094347
Energy: 1.2642818451238593
Energy: 0.6882886874088276
Energy: 1.3893135853265817
Energy: 0.6903148269128215
Energy: 1.1349211675984272
Energy: 0.6903148269043496
Energy: 1.893880864784524
Energy: 0.6881926569215616
Energy: 1.129258518077417
Energy: 0.6881926569191331
Energy: 1.8877755083230452
Energy: 0.6894227449525075
Energy: 1.1351161409543964
Energy: 0.6894227449525075
Energy: 1.644054017378186
Energy: 0.6886886327863588
Energy: 0.84482289096334
Energy: 0.6886886327863588
Energy: 1.892708927718569
Energy: 0.6881792828572328
Energy: 0.83748544553031
Energy: 0.6881792828572328
Energy: 1.8850261174505103
Energy: 0.6887553592717512
Energy: 0.8444423395339277
Energy: 0.6887553592711442
Energy: 1.6414673256773458
Energy: 0.6902005643681306
Energy: 0.6883874156303474
Energy: 0.6902005643675234
Energy: 1.7798233129156997
Energy: 0.6886524687470409
Energy: 0.6894272224790335
Energy: 0.6886524687470409
Energy: 1.7655052936242077
Energy: 0.6893916132505479
Energy: 0.6892854081459255
Energy: 0.6893916132505479

minimum gb energy = 0.6880507232331309 eV
minimum distance =  2.24738010918337 Angstroms
sigma value = 113


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

Energy: 0.02038983083397981
Energy: 0.02095901677820312
Energy: 1.5266780347991848
Energy: 0.6001519330235585
Energy: 0.021378610052389807
Energy: 0.17727807884066243
Energy: 1.099726123320838
Energy: 0.17727807884112914
Energy: 0.021162359507231106
Energy: 0.17462765960247215
Energy: 1.0962391359013803
Energy: 0.17462765960247215
Energy: 0.022949439244707343
Energy: 0.17373426352112722
Energy: 1.0938657428510983
Energy: 0.17373426352159393
Energy: 1.0986032172651157
Energy: 0.17762122111498485
Energy: 1.0971417021479388
Energy: 0.17762122111498485
Energy: 0.020909097395805345
Energy: 0.1743168234427455
Energy: 1.0968618726323773
Energy: 0.17431682344181204

minimum gb energy = 0.02038983083397981 eV
minimum distance =  2.46027004670071 Angstroms
sigma value = 1