Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.24243287157552
mass=55.845
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=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.0233378980017797e-19, 4.40391893564214e-19, 4.7321889061823995e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.016398323950739317
Energy: 0.10643090858046825
Energy: 1.068841059615795
Energy: 0.017002533757761985
Energy: 0.10643090857861744
Energy: 1.1989567263629053
Energy: 0.017002533757761985
Energy: 1.198956726363534
Energy: 1.068841059617017
Energy: 0.017002533757761985
Energy: 0.016398323950739317
Energy: 0.10643090857861744
Energy: 0.017002533757761985
Energy: 1.1989567263641627
Energy: 0.10643090857921109
Energy: 1.1989567263696803

minimum gb energy = 0.016398323950739317 eV
minimum distance =  2.51474211811154 Angstroms
sigma value = 1


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

Energy: 1.0097819031735182
Energy: 0.8305511208624002
Energy: 0.8324435628918515
Energy: 0.7867996159554472
Energy: 0.8462934828889865
Energy: 0.8700658683080932
Energy: 0.846782784510152
Energy: 0.8700658683080932
Energy: 0.8176771875264268
Energy: 0.8143965025454877
Energy: 0.8579957226077137
Energy: 0.814396502543963
Energy: 0.846549191800719
Energy: 0.8504154994905044
Energy: 0.8468141270973267
Energy: 0.8504154994912667
Energy: 0.922857846707465
Energy: 0.8488652600766432
Energy: 0.8476058606455729
Energy: 0.8488652600758809
Energy: 0.8457673855811592
Energy: 0.994526362032267
Energy: 0.8471436877376696
Energy: 0.9945263620315045
Energy: 0.8463662913514907
Energy: 0.9960852655469572
Energy: 0.919313484977253
Energy: 0.9960852655477195
Energy: 0.9211773791254213
Energy: 1.073136663317452
Energy: 0.8543207993152773
Energy: 1.0731366633189767
Energy: 0.8542791868355338
Energy: 1.0693039033207954
Energy: 0.8524008890415474
Energy: 1.0693039033200331
Energy: 0.9168017688070911
Energy: 1.069009611981603
Energy: 0.9270231314586814
Energy: 1.0690096119823653
Energy: 0.915680942699222
Energy: 1.0687188944084225
Energy: 0.8540680993564012
Energy: 1.0687188944084225
Energy: 0.920816877887261
Energy: 1.0674140439194255
Energy: 0.8556006316233591
Energy: 1.0674140439194255
Energy: 0.8470956352595768
Energy: 0.9969338877925769
Energy: 0.9156606873849625
Energy: 0.9969338877933394
Energy: 0.8472112897101178
Energy: 0.9961026345000966
Energy: 0.9131077718691557
Energy: 0.9961026345000966
Energy: 0.9184837939503847
Energy: 0.8476574759255374
Energy: 0.8471752114674633
Energy: 0.8476574759255374
Energy: 0.8474258288100394
Energy: 0.8483976920890045
Energy: 0.8460419182240132
Energy: 0.8483976920882423
Energy: 0.8155109150965146
Energy: 0.812992701540425
Energy: 0.785557125597101
Energy: 0.812992701540425
Energy: 0.8467060004263784
Energy: 0.8469450840403334
Energy: 0.9075813045452512
Energy: 0.8469450840395711
Energy: 0.8580817949662881
Energy: 0.8188604925737609
Energy: 0.8184932847775592
Energy: 0.8188604925722361
Energy: 0.8487578496988722
Energy: 0.8465827228772935
Energy: 0.8462744757497617
Energy: 0.8465827228765312
Energy: 0.8494374861953142
Energy: 0.8465974145868164
Energy: 0.9223001041432802
Energy: 0.846597414586054
Energy: 0.8464712956139367
Energy: 0.8491785393879825
Energy: 0.8456078379942426
Energy: 0.8491785393887448
Energy: 0.9195413953268443
Energy: 0.9967396107473717
Energy: 0.9140425782549353
Energy: 0.9967396107466094
Energy: 0.853562880131775
Energy: 0.9952437924327141
Energy: 0.9237143727539993
Energy: 0.9952437924327141
Energy: 0.8527659441235264
Energy: 1.0702799657673607
Energy: 0.8545570953365039
Energy: 1.0702799657673607
Energy: 0.9294781758250797
Energy: 1.06802780070884
Energy: 0.9193392136148646
Energy: 1.06802780070884
Energy: 0.8538626199519574
Energy: 1.0698731386919835
Energy: 0.9154844914075757
Energy: 1.0698731386927458
Energy: 0.9132012970677508
Energy: 1.068233188962436
Energy: 0.921985071780883
Energy: 1.0682331889631982
Energy: 0.9152776321868986
Energy: 0.9975204254555323
Energy: 0.8475781409358676
Energy: 0.9975204254555323
Energy: 0.9128021374535897
Energy: 0.9996134579432708
Energy: 0.848002437438854
Energy: 0.9996134579440332
Energy: 0.848279847819365
Energy: 0.8478906034977172
Energy: 0.9189757042152776
Energy: 0.8478906034961924
Energy: 0.8461871685684416
Energy: 0.8474486411831783
Energy: 0.8477311049878842
Energy: 0.8474486411824159
Energy: 0.7861958158698518
Energy: 0.8133959743779322
Energy: 0.8146916400429829
Energy: 0.8133959743771699

minimum gb energy = 0.785557125597101 eV
minimum distance =  2.28187809466573 Angstroms
sigma value = 1


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

Energy: 1.931032499418912
Energy: 0.8864476899634686
Energy: 0.8885507630205992
Energy: 0.8395892865935698
Energy: 0.9075743482038641
Energy: 0.9285665257394026
Energy: 0.907982030150513
Energy: 0.9285665257402718
Energy: 0.8701615432756503
Energy: 0.8681716041705462
Energy: 0.9167117044425089
Energy: 0.8681716041688079
Energy: 0.9064274700015245
Energy: 0.9101921933341692
Energy: 0.9079485709695151
Energy: 0.9101921933341692
Energy: 0.9123364196480216
Energy: 0.9087060185746433
Energy: 0.9075855412186411
Energy: 0.9087060185729047
Energy: 0.9069613917588876
Energy: 1.0895266853321515
Energy: 0.9079652707464357
Energy: 1.0895266853321515
Energy: 0.906909349829801
Energy: 1.0742429875890376
Energy: 0.9132323814529475
Energy: 1.0742429875890376
Energy: 0.9913952443717934
Energy: 1.0743078390019094
Energy: 0.9734046898943761
Energy: 1.0743078390010403
Energy: 0.9121114828302579
Energy: 1.1435258250164178
Energy: 0.8348658115422856
Energy: 1.1435258250164178
Energy: 0.9124019544357518
Energy: 1.1431570014950359
Energy: 0.9916157292827945
Energy: 1.1431570014924284
Energy: 0.9775173204567783
Energy: 1.0768723183514708
Energy: 0.9063624463794538
Energy: 1.0768723183506017
Energy: 0.9796812595761605
Energy: 1.0743603439530065
Energy: 0.9082475089276906
Energy: 1.0743603439530065
Energy: 0.9086834736735991
Energy: 0.9099761614447743
Energy: 0.9816045291326359
Energy: 0.9099761614456435
Energy: 0.9073437709761155
Energy: 0.9112001627427547
Energy: 0.903553085866397
Energy: 0.9112001627453623
Energy: 0.8360295552240908
Energy: 0.8659919899214178
Energy: 0.8691377075136674
Energy: 0.8659919899231561
Energy: 0.9777202155671035
Energy: 0.9075021555685984
Energy: 0.9077608594800147
Energy: 0.9075021555685984
Energy: 0.8726155427830389
Energy: 0.8721394910939331
Energy: 0.9160166623438276
Energy: 0.8721394910913254
Energy: 0.9066507571468344
Energy: 0.907444733235029
Energy: 0.9091845281133608
Energy: 0.9074447332376365
Energy: 0.9805434322184011
Energy: 0.9077602809715529
Energy: 0.908830930885587
Energy: 0.9077602809732912
Energy: 0.9066650406901203
Energy: 0.9103261475888091
Energy: 0.9084182067348856
Energy: 0.9103261475896784
Energy: 0.9072369854562732
Energy: 1.0746810020949387
Energy: 0.9133176726515436
Energy: 1.0746810020949387
Energy: 0.9899923640631216
Energy: 1.0743295877160361
Energy: 0.9106054133734398
Energy: 1.0743295877160361
Energy: 0.9128910207156516
Energy: 1.1445219094857033
Energy: 0.8369284481554009
Energy: 1.1445219094874417
Energy: 0.9100384643794639
Energy: 1.1428425638100415
Energy: 0.9854420675598438
Energy: 1.1428425638091722
Energy: 0.9774724439805611
Energy: 1.0756054449574164
Energy: 0.9062880149525415
Energy: 1.075605444955678
Energy: 0.9798368111538116
Energy: 1.0735372381618138
Energy: 0.9089799905441959
Energy: 1.0735372381618138
Energy: 0.908934494144913
Energy: 0.9103776740058545
Energy: 0.981814279110877
Energy: 0.9103776740067238
Energy: 0.9076306797140961
Energy: 0.9102829848415123
Energy: 0.9049094819899289
Energy: 0.9102829848415123
Energy: 0.8360434415531548
Energy: 0.9075093923435016
Energy: 0.8675712449469677
Energy: 0.9075093923435016

minimum gb energy = 0.8348658115422856 eV
minimum distance =  2.25609236922647 Angstroms
sigma value = 25


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

Energy: 1.8304682811969468
Energy: 0.9546358781578389
Energy: 0.9552526987423524
Energy: 0.9005435298459407
Energy: 0.9821378797482563
Energy: 0.9982933037080679
Energy: 0.981338551903179
Energy: 0.9982933037080679
Energy: 0.929999914898655
Energy: 0.9293278472797412
Energy: 0.9897946999869877
Energy: 0.9293278472807516
Energy: 0.9803848314803667
Energy: 0.9832743912469941
Energy: 0.9816458316691271
Energy: 0.9832743912469941
Energy: 0.981649870152448
Energy: 0.9843015143648931
Energy: 0.9816886139572453
Energy: 0.9843015143628724
Energy: 0.9806732547762561
Energy: 1.1803843353590437
Energy: 0.9825052589503573
Energy: 1.1803843353590437
Energy: 0.9808786067421229
Energy: 1.1721570984201004
Energy: 0.9823558272987769
Energy: 1.1721570984201004
Energy: 1.076129313186786
Energy: 1.1686137100457323
Energy: 1.0451649936889273
Energy: 1.1686137100467429
Energy: 0.9802950122913809
Energy: 1.1717627951775418
Energy: 0.8962641049175768
Energy: 1.1717627951775418
Energy: 0.981799755792659
Energy: 1.1736450398592073
Energy: 0.981733413649537
Energy: 1.1736450398581966
Energy: 1.0482350409667531
Energy: 0.9831950322922163
Energy: 0.9817817492861032
Energy: 0.9831950322922163
Energy: 0.9741141568640486
Energy: 0.9828483827701018
Energy: 0.9819486707756256
Energy: 0.9828483827711122
Energy: 0.9319013630393977
Energy: 0.929638418453789
Energy: 1.0557078315923398
Energy: 0.929638418453789
Energy: 0.9815429736848716
Energy: 0.9808828336508162
Energy: 1.0649899220707868
Energy: 0.9808828336508162
Energy: 0.9878080191440414
Energy: 0.9359766422551762
Energy: 0.9382850703317632
Energy: 0.9359766422561866
Energy: 1.0167127337345734
Energy: 0.9809433242937956
Energy: 0.9286274927211868
Energy: 0.9809433242937956
Energy: 0.9827532651804943
Energy: 0.9817561518137217
Energy: 0.9818469888759926
Energy: 0.9817561518137217
Energy: 0.9824510388143457
Energy: 0.9817256037215258
Energy: 0.9812423577445979
Energy: 0.9817256037215258
Energy: 0.9825545265009996
Energy: 1.1713758936030452
Energy: 0.9808397653950859
Energy: 1.1713758936010246
Energy: 0.9096594667526333
Energy: 1.1709367009913456
Energy: 0.9812293750633453
Energy: 1.170936700990335
Energy: 0.8928831610815345
Energy: 1.1741202190222066
Energy: 0.980095320551453
Energy: 1.1741202190232172
Energy: 0.9872668526543927
Energy: 1.1744237123943224
Energy: 0.9806789328440291
Energy: 1.1744237123943224
Energy: 0.9829831326393824
Energy: 0.9836645052218621
Energy: 1.0485049306437177
Energy: 0.9836645052198414
Energy: 0.9818962176306039
Energy: 0.9820130564784796
Energy: 0.9737477588144778
Energy: 0.9820130564774691
Energy: 0.8977519426967291
Energy: 0.9806770144911321
Energy: 0.9308593349152713
Energy: 0.9806770144911321

minimum gb energy = 0.8928831610815345 eV
minimum distance =  2.25567326935424 Angstroms
sigma value = 9


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

Energy: 1.151470178729395
Energy: 1.012074029957139
Energy: 1.0455949113708989
Energy: 1.0006768171259077
Energy: 1.0267652611008629
Energy: 1.0905645489346487
Energy: 1.0503527849054997
Energy: 1.090564548935854
Energy: 1.0165881272832125
Energy: 1.0168592279849848
Energy: 1.038062476325415
Energy: 1.0168592279849848
Energy: 1.0155279434142799
Energy: 1.1931868354791493
Energy: 1.0615424428182367
Energy: 1.1931868354791493
Energy: 1.0338007121725872
Energy: 1.0843870451452498
Energy: 1.0831953285932792
Energy: 1.0843870451440445
Energy: 1.0850253573337956
Energy: 1.3391721227478264
Energy: 1.0570372577074687
Energy: 1.3391721227490319
Energy: 1.1456682500449864
Energy: 1.2866732855287644
Energy: 1.0719454607737728
Energy: 1.2866732855287644
Energy: 1.1535326585380286
Energy: 1.2875926376468612
Energy: 1.0715033443079953
Energy: 1.2875926376468612
Energy: 1.150610473030316
Energy: 1.1514614147864597
Energy: 0.9977536418136818
Energy: 1.1514614147864597
Energy: 1.1434507512391852
Energy: 1.196728749788957
Energy: 1.0187459436594022
Energy: 1.196728749790162
Energy: 0.9663427500574304
Energy: 0.9749279137686051
Energy: 0.9756186570885359
Energy: 0.9749279137698105
Energy: 1.0725219941300523
Energy: 0.9621097476085654
Energy: 0.975072569173112
Energy: 0.96210974760736
Energy: 1.0759050329795041
Energy: 1.0777182678005952
Energy: 1.0362595368946368
Energy: 1.077718267974109
Energy: 1.075665903832646
Energy: 1.1915105562692212
Energy: 1.0772349412622833
Energy: 1.1915105562692212
Energy: 1.117198401514822
Energy: 1.1115626129207452
Energy: 0.975477179413985
Energy: 1.1115626129207452
Energy: 1.1044024347527106
Energy: 1.1115371097519073
Energy: 0.9753243498154021
Energy: 1.1115371097519073
Energy: 1.1454899584396914
Energy: 1.3252383897411533
Energy: 1.167981242679452
Energy: 1.3252383897423587
Energy: 1.1456698395172216
Energy: 1.326203423390265
Energy: 1.1230397326413382
Energy: 1.326203423390265
Energy: 1.0900746455028372
Energy: 1.0897818836675752
Energy: 0.9885806682117267
Energy: 1.0897818836687807
Energy: 1.0884324656921565
Energy: 1.0912359064369284
Energy: 0.9888800849498212
Energy: 1.0912359064369284
Energy: 0.9949500151603564
Energy: 1.0419249462592814
Energy: 1.00980017116469
Energy: 1.0419249462592814

minimum gb energy = 0.96210974760736 eV
minimum distance =  2.25081439025143 Angstroms
sigma value = 25


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

Energy: 1.341059186734388
Energy: 1.1148645597262272
Energy: 1.1578183390993417
Energy: 1.070095098526385
Energy: 1.126194782217486
Energy: 1.1435667154357791
Energy: 1.1246832286363493
Energy: 1.1435667154357791
Energy: 1.1134031869018672
Energy: 1.1130767629399643
Energy: 1.1178055184852158
Energy: 1.1130767629399643
Energy: 1.1114696465526852
Energy: 1.144228646187044
Energy: 1.0876789172102572
Energy: 1.144228646187044
Energy: 1.0895367609713535
Energy: 1.262735178701534
Energy: 1.0881160228725257
Energy: 1.262735178701534
Energy: 1.0607135100027991
Energy: 1.2620309682033681
Energy: 1.0876311324227013
Energy: 1.2620309682033681
Energy: 1.0573221836332456
Energy: 1.262275739127421
Energy: 1.0904302612397314
Energy: 1.262275739127421
Energy: 1.057394831007764
Energy: 1.2623563010883743
Energy: 1.0917844606508365
Energy: 1.2623563010883743
Energy: 1.1139999743002253
Energy: 1.1133836947827107
Energy: 1.1575390402545256
Energy: 1.1133836947767484
Energy: 1.1247093696239527
Energy: 1.1124597040075532
Energy: 1.1575130472211579
Energy: 1.1124597040075532
Energy: 1.117556996416026
Energy: 1.1120074494981935
Energy: 1.1268792490162278
Energy: 1.1120074494981935
Energy: 1.1175399229122096
Energy: 1.06143730863396
Energy: 1.1132868612105151
Energy: 1.0614373086354505
Energy: 1.0876878530877612
Energy: 1.269203756201342
Energy: 1.0895138659731718
Energy: 1.269203756201342
Energy: 1.0879922640792536
Energy: 1.2628418337877292
Energy: 1.0625007092297216
Energy: 1.2628418337877292
Energy: 1.0881041792516357
Energy: 1.2619779767719044
Energy: 1.0567141130298205
Energy: 1.2619779767719044
Energy: 1.087666902507809
Energy: 1.2619501396744315
Energy: 1.0573829592204633
Energy: 1.2619501396744315
Energy: 1.156735833124409
Energy: 1.113930550297366
Energy: 1.1125017966527475
Energy: 1.113930550297366

minimum gb energy = 1.0567141130298205 eV
minimum distance =  2.28575060352309 Angstroms
sigma value = 17


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

Energy: 2.0405261908907693
Energy: 1.195663799925438
Energy: 1.2464428020133511
Energy: 1.1678137183658395
Energy: 1.2384199538070906
Energy: 1.344492984026863
Energy: 1.2144027021348187
Energy: 1.3444929840277071
Energy: 1.1308404913292274
Energy: 1.1313456013689698
Energy: 1.1954006220174949
Energy: 1.1313456013689698
Energy: 1.130911045613432
Energy: 1.3423825688893254
Energy: 1.1300892786932806
Energy: 1.3423825688893254
Energy: 1.2214510864044061
Energy: 1.3963116476502535
Energy: 1.2657949780803952
Energy: 1.3963116476502535
Energy: 1.1326509372438711
Energy: 1.397852333320781
Energy: 1.1294681037700895
Energy: 1.397852333320781
Energy: 1.1562384900931457
Energy: 1.1300594127593686
Energy: 1.1334087121215854
Energy: 1.1300594127602126
Energy: 1.2252182118501627
Energy: 1.1298953918962105
Energy: 1.156900942845161
Energy: 1.1298953918962105
Energy: 1.2152559767762596
Energy: 1.1923049727173904
Energy: 1.1995879919569943
Energy: 1.1923049727165465
Energy: 1.1937487539819478
Energy: 1.1922393647481446
Energy: 1.2191597649967627
Energy: 1.1922393647481446
Energy: 1.224699915155372
Energy: 1.1925927655403803
Energy: 1.1257582129621182
Energy: 1.1925927655420685
Energy: 1.1918745062958973
Energy: 1.192975383673301
Energy: 1.1877342013639818
Energy: 1.192975383673301
Energy: 1.1532886486675198
Energy: 1.1966354972443458
Energy: 1.1888331080267127
Energy: 1.1966354972435402
Energy: 1.1536284803109158
Energy: 1.1937455328241462
Energy: 1.1259748764262862
Energy: 1.1937455328241462
Energy: 1.1916813680375526
Energy: 1.1907984846479762
Energy: 1.231244681808732
Energy: 1.190798484647132
Energy: 1.2162093595838637
Energy: 1.1909460337903168
Energy: 1.231313189083347
Energy: 1.1909460337920053
Energy: 1.195464347255991
Energy: 1.1306675037409122
Energy: 1.1581797338750988
Energy: 1.1306675037400677
Energy: 1.1956959276966348
Energy: 1.1304111490545696
Energy: 1.1312545462300398
Energy: 1.1304111490545696
Energy: 1.1302135477122077
Energy: 1.3963184575802425
Energy: 1.2236987624335112
Energy: 1.3963184575810865
Energy: 1.274529616245274
Energy: 1.3989877687156018
Energy: 1.1338453162959137
Energy: 1.3989877687164463
Energy: 1.1319451092154484
Energy: 1.1306083708877022
Energy: 1.2255623450800701
Energy: 1.1306083708877022
Energy: 1.1599804842053285
Energy: 1.1573107599915642
Energy: 1.1561311896583486
Energy: 1.1573107599907202
Energy: 1.1771997631936881
Energy: 1.1919801968197088
Energy: 1.2148097145122183
Energy: 1.1919801968197088
Energy: 1.1996131435441093
Energy: 1.1922340834926763
Energy: 1.1924801885925416
Energy: 1.1922340834926763
Energy: 1.1886626346263591
Energy: 1.1941523873773336
Energy: 1.192403441011682
Energy: 1.1941523873781776
Energy: 1.1877776067289072
Energy: 1.1933849425310643
Energy: 1.223424242455173
Energy: 1.1933849425319085
Energy: 1.1250163937873932
Energy: 1.269994521417586
Energy: 1.155022648426745
Energy: 1.2699945214184303
Energy: 1.1888172181633896
Energy: 1.1926274640789145
Energy: 1.153383181299396
Energy: 1.1926274640797587
Energy: 1.1898484286666269
Energy: 1.3418020805620916
Energy: 1.153390774500089
Energy: 1.3418020805612474
Energy: 1.2317029676059776
Energy: 1.192190312786707
Energy: 1.191409284854577
Energy: 1.1921903127858626

minimum gb energy = 1.1250163937873932 eV
minimum distance =  2.28870538925968 Angstroms
sigma value = 53


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

Energy: 1.8481166623012948
Energy: 1.1782390099009432
Energy: 1.2479625897635398
Energy: 1.1229864537149228
Energy: 1.1796710025005528
Energy: 1.1772020502081795
Energy: 1.1805009500223462
Energy: 1.177202050206236
Energy: 1.17779058038789
Energy: 1.178839970586951
Energy: 1.1985477460225322
Energy: 1.1788399705850074
Energy: 1.1795849614128004
Energy: 1.1809396157096417
Energy: 1.1775897485793887
Energy: 1.1809396157096417
Energy: 1.19718572682431
Energy: 1.1805142791783014
Energy: 1.1052864976085157
Energy: 1.1805142791783014
Energy: 1.1768113571765748
Energy: 1.1818721154784217
Energy: 1.1054127793661186
Energy: 1.1818721154764782
Energy: 1.2346080940876403
Energy: 1.1774599687492937
Energy: 1.180960086712044
Energy: 1.1774599687473501
Energy: 1.2340982330342265
Energy: 1.1772460812664747
Energy: 1.1769894195849677
Energy: 1.1772460812664747
Energy: 1.1796615180758205
Energy: 1.1780876997120218
Energy: 1.1999296937459023
Energy: 1.1780876997139653
Energy: 1.1782834278470922
Energy: 1.1772223268622644
Energy: 1.177952546618064
Energy: 1.1772223268622644
Energy: 1.1974859361460992
Energy: 1.183094549861503
Energy: 1.1060794726140646
Energy: 1.183094549861503
Energy: 1.1798862458656516
Energy: 1.1802396571869704
Energy: 1.108947117882528
Energy: 1.1802396571850267
Energy: 1.234322364425245
Energy: 1.177098772430025
Energy: 1.1769701150742555
Energy: 1.177098772430025

minimum gb energy = 1.1052864976085157 eV
minimum distance =  2.28650931880911 Angstroms
sigma value = 9


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

Energy: 1.7469213495165679
Energy: 1.2299593310379562
Energy: 1.3177474218023137
Energy: 1.1968765862843034
Energy: 1.2275275544656492
Energy: 1.167399587621901
Energy: 1.3218161436388518
Energy: 1.167399587624059
Energy: 1.1677075767838163
Energy: 1.1690453440445239
Energy: 1.228999321695191
Energy: 1.1690453440452429
Energy: 1.1717989804722233
Energy: 1.1689056071499955
Energy: 1.2764261702666768
Energy: 1.1689056071499955
Energy: 1.1696403866640404
Energy: 1.1674626092396028
Energy: 1.2744738444682555
Energy: 1.1674626092396028
Energy: 1.224198190447336
Energy: 1.1673957603906915
Energy: 1.274239217822051
Energy: 1.1673957603906915
Energy: 1.3190454648351049
Energy: 1.2283659855247442
Energy: 1.3154260645802753
Energy: 1.2283659855247442
Energy: 1.3190318198910413
Energy: 1.227114130760007
Energy: 1.228908858082879
Energy: 1.227114130760007
Energy: 1.1606827350693343
Energy: 1.381896806641201
Energy: 1.2021282795195372
Energy: 1.3818968079297342
Energy: 1.1950261792659087
Energy: 1.3543426456242726
Energy: 1.2321421917840842
Energy: 1.3543426456242726
Energy: 1.1571100266391559
Energy: 1.1569462887499253
Energy: 1.3461386880931197
Energy: 1.1569462887520179
Energy: 1.256693725972658
Energy: 1.2153804524672251
Energy: 1.2787725539147283
Energy: 1.2153804524679443
Energy: 1.3159503263050678
Energy: 1.157523065854429
Energy: 1.3332704144282976
Energy: 1.1575230658529905
Energy: 1.3157442474551768
Energy: 1.1580885559767775
Energy: 1.1617003631299803
Energy: 1.1580885559753389
Energy: 1.2265447713761466
Energy: 1.3541483284947486
Energy: 1.1986682786674967
Energy: 1.3541483284940292
Energy: 1.1765126378886688
Energy: 1.37955390286245
Energy: 1.1984513232163603
Energy: 1.3795539028617305
Energy: 1.2335709580657375
Energy: 1.3814851742475798
Energy: 1.1612354293265768
Energy: 1.3814851742468603
Energy: 1.2264875945629985
Energy: 1.2290734090288866
Energy: 1.2823861735715705
Energy: 1.2290734090288866
Energy: 1.3195143519753394
Energy: 1.2272869044440284
Energy: 1.304616224036783
Energy: 1.22728690444259
Energy: 1.2290386605437003
Energy: 1.1690131950489842
Energy: 1.168143696528996
Energy: 1.1690131950482652
Energy: 1.317244203216993
Energy: 1.168158920220379
Energy: 1.1706868732931688
Energy: 1.1681589202196598
Energy: 1.274118325018094
Energy: 1.16695862102712
Energy: 1.1676317260966127
Energy: 1.16695862102712
Energy: 1.2744490822445516
Energy: 1.1678332778288403
Energy: 1.2231009201007716
Energy: 1.1678332778295597
Energy: 1.3149355604735031
Energy: 1.2277732968140478
Energy: 1.319194573035864
Energy: 1.2277732968147674
Energy: 1.229263358472006
Energy: 1.2275165856766983
Energy: 1.3190017572971047
Energy: 1.2275165856766983
Energy: 1.200608498085024
Energy: 1.4269689816603637
Energy: 1.158960117472677
Energy: 1.4269689815345448
Energy: 1.2328874690469285
Energy: 1.3541030478170746
Energy: 1.1943749330661233
Energy: 1.3541030478170746
Energy: 1.346186446048344
Energy: 1.157129822381237
Energy: 1.1580974868628624
Energy: 1.157129822381237
Energy: 1.2783644896000999
Energy: 1.1730294727903532
Energy: 1.2027452323944696
Energy: 1.1730294727925112
Energy: 1.3343582991277425
Energy: 1.1577094125006042
Energy: 1.316215610761843
Energy: 1.157709412499885
Energy: 1.1619508867877582
Energy: 1.1585557400464639
Energy: 1.2320323109316869
Energy: 1.1585557400464639
Energy: 1.1660455199453899
Energy: 1.3336134377176299
Energy: 1.2276878451468736
Energy: 1.3336134377183493
Energy: 1.1992883457734904
Energy: 1.3778068435806679
Energy: 1.176242015474916
Energy: 1.3778068435799486
Energy: 1.1595602258841629
Energy: 1.380469683821614
Energy: 1.1843068915028416
Energy: 1.3804696838223331
Energy: 1.281970704820934
Energy: 1.2286384726675759
Energy: 1.2353719480252563
Energy: 1.2286384726668564

minimum gb energy = 1.1569462887499253 eV
minimum distance =  2.28653741435671 Angstroms
sigma value = 73


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

Energy: 1.2822852186251161
Energy: 1.1820483707233878
Energy: 1.1804604893473043
Energy: 1.1608857674481305
Energy: 1.1381014780363203
Energy: 1.1665510326081634
Energy: 1.2032710717288375
Energy: 1.1665510326081634
Energy: 1.1402155824964633
Energy: 1.1669674594983326
Energy: 1.2045756116753035
Energy: 1.166967459499474
Energy: 1.1666966478002696
Energy: 1.166937536897246
Energy: 1.242395530661389
Energy: 1.1669375368983874
Energy: 1.1745272543381287
Energy: 1.1729650996194882
Energy: 1.2726294584730076
Energy: 1.1729650996194882
Energy: 1.1937999163025381
Energy: 1.1730447923431753
Energy: 1.2727127115408365
Energy: 1.1730447923443166
Energy: 1.226587741173419
Energy: 1.2120618377894887
Energy: 1.2698544300430672
Energy: 1.2120618377894887
Energy: 1.2272732550094785
Energy: 1.2110202554930398
Energy: 1.2123024245249483
Energy: 1.2110202554930398
Energy: 1.173577948949224
Energy: 1.5313740710775412
Energy: 1.2108940210647454
Energy: 1.5313740710775412
Energy: 1.1993821068875339
Energy: 1.3833993751067073
Energy: 1.212459356476729
Energy: 1.3833993751078486
Energy: 1.1747383115754673
Energy: 1.1077642831166834
Energy: 1.1103893459219008
Energy: 1.1077642831178247
Energy: 1.1870075070533037
Energy: 1.1099211599079029
Energy: 1.2413725151547632
Energy: 1.1099211599079029
Energy: 1.204089868998319
Energy: 1.30642211686193
Energy: 1.208837990761572
Energy: 1.30642211686193
Energy: 1.2040696630342849
Energy: 1.156199591265571
Energy: 1.1550384876906528
Energy: 1.1561995912644296
Energy: 1.2294729206202681
Energy: 1.200758042614705
Energy: 1.1577259294318603
Energy: 1.200758042613564
Energy: 1.2725112420330762
Energy: 1.1991465569948687
Energy: 1.1616021279053967
Energy: 1.1991465569937274
Energy: 1.272433805387662
Energy: 1.1975550881502222
Energy: 1.205797275793528
Energy: 1.1975550881502222
Energy: 1.2122087492071707
Energy: 1.2581854958678116
Energy: 1.227258928993609
Energy: 1.2581854958678116
Energy: 1.1904184762507295
Energy: 1.188764074207333
Energy: 1.2265730477119787
Energy: 1.1887640742061918
Energy: 1.2436806901185757
Energy: 1.29865722035326
Energy: 1.1810251163230228
Energy: 1.29865722035326
Energy: 1.188445043148652
Energy: 1.395629002863321
Energy: 1.200404939696124
Energy: 1.3956290028644622
Energy: 1.281280351871713
Energy: 1.1804260222962908
Energy: 1.1838062585728222
Energy: 1.1804260222962908

minimum gb energy = 1.1077642831166834 eV
minimum distance =  2.27228973132696 Angstroms
sigma value = 7


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

Energy: 1.3918226619233218
Energy: 1.1861651547261371
Energy: 1.1829093613989676
Energy: 1.1487723009613078
Energy: 1.210082852828619
Energy: 1.3624868558277228
Energy: 1.2845470193448758
Energy: 1.3624868124360783
Energy: 1.1434725345108323
Energy: 1.2016488023352936
Energy: 1.250928559230437
Energy: 1.2016488023312586
Energy: 1.1525960201677314
Energy: 1.1534123247199914
Energy: 1.2813016247742168
Energy: 1.1534123247191843
Energy: 1.1487385590653312
Energy: 1.1454227073530034
Energy: 1.238470659844022
Energy: 1.1454227073513892
Energy: 1.3097734036763513
Energy: 1.1452532569062515
Energy: 1.2439429699044156
Energy: 1.1452532569054445
Energy: 1.2823644503340375
Energy: 1.1458011135080346
Energy: 1.3073746653437304
Energy: 1.1458011135104558
Energy: 1.2822643092261556
Energy: 1.1443752196944181
Energy: 1.145232995670481
Energy: 1.1443752196936112
Energy: 1.317779096529648
Energy: 1.1996332311847264
Energy: 1.1998199028902459
Energy: 1.1996332311831126
Energy: 1.2337003123800592
Energy: 1.4599997469149826
Energy: 1.1424179580404272
Energy: 1.459999746918174
Energy: 1.2807932589149578
Energy: 1.1823742501658532
Energy: 1.3081244183001406
Energy: 1.1823742501674672
Energy: 1.1898849693517608
Energy: 1.183935611564945
Energy: 1.2852779833328303
Energy: 1.1839356115665594
Energy: 1.1877192070623082
Energy: 1.3632665483662298
Energy: 1.1857678776747644
Energy: 1.3632665483694582
Energy: 1.182817127587397
Energy: 1.29647823293973
Energy: 1.2416852781744507
Energy: 1.296478232942151
Energy: 1.1855834280409001
Energy: 1.3631498844479215
Energy: 1.1341858826314513
Energy: 1.3631498845253585
Energy: 1.3235588836389238
Energy: 1.1839421278522981
Energy: 1.1901667355890133
Energy: 1.1839421278547193
Energy: 1.323072258533924
Energy: 1.1814581725911748
Energy: 1.2820291165757765
Energy: 1.1814581725911748
Energy: 1.143271261082817
Energy: 1.4606237391523667
Energy: 1.2524502144597245
Energy: 1.4606237391523667
Energy: 1.2002531501851106
Energy: 1.2002271556383044
Energy: 1.2828124039530975
Energy: 1.2002271556383044
Energy: 1.1444255466158666
Energy: 1.1439042246819882
Energy: 1.320132065820137
Energy: 1.1439042246803741
Energy: 1.306792244837869
Energy: 1.145511807712221
Energy: 1.238086866026169
Energy: 1.1455118077130282
Energy: 1.2818833518819994
Energy: 1.145340975489531
Energy: 1.3093678953625199
Energy: 1.1453409754854957
Energy: 1.282145815396301
Energy: 1.1453217774689726
Energy: 1.146655537618253
Energy: 1.1453217774681657
Energy: 1.3162693515989172
Energy: 1.2010698685352332
Energy: 1.1474051182681646
Energy: 1.2010698685336194
Energy: 1.2338813152287966
Energy: 1.2018105303036404
Energy: 1.144052435216152
Energy: 1.2018105303020263
Energy: 1.2382541576045738
Energy: 1.3626191301997126
Energy: 1.2100946954543264
Energy: 1.3626191301932566
Energy: 1.1826333206506134
Energy: 1.1849472529833267
Energy: 1.8632535034211641
Energy: 1.1849472529841336
Energy: 1.18492417337201
Energy: 1.3638234219590764
Energy: 1.1809940492563749
Energy: 1.3638234219590764
Energy: 1.2498953443593364
Energy: 1.2991724344022706
Energy: 1.1871440721287445
Energy: 1.2991724344038846
Energy: 1.182675629310483
Energy: 1.4131751553787801
Energy: 1.2405392831890745
Energy: 1.4131751553795873
Energy: 1.3234464094815643
Energy: 1.1819513478090395
Energy: 1.1869588871943926
Energy: 1.1819513478074255

minimum gb energy = 1.1341858826314513 eV
minimum distance =  2.28589780122965 Angstroms
sigma value = 29


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

Energy: 1.1933291347209962
Energy: 1.3590046703034784
Energy: 1.0823286378608867
Energy: 1.1951188755021669
Energy: 1.0800654141391197
Energy: 1.1558613051320272
Energy: 1.0798293465539768
Energy: 1.1558613051323083
Energy: 1.080928035829016
Energy: 1.1568846381667297
Energy: 1.1396176829410742
Energy: 1.1568846381675417
Energy: 1.0797922291777098
Energy: 1.080905880881226
Energy: 1.0793238817471795
Energy: 1.0809058808815073
Energy: 1.0800279146873575
Energy: 1.0810161557512452
Energy: 1.0818825296177537
Energy: 1.0810161557515263
Energy: 1.0787952755458352
Energy: 1.156487493016046
Energy: 1.080373465532863
Energy: 1.156487493016577
Energy: 1.1399756424691825
Energy: 1.156696687132242
Energy: 1.0793726102208254
Energy: 1.156696687132242
Energy: 1.0791068904892873
Energy: 1.0834954589492172
Energy: 1.0774600147674196
Energy: 1.0834954589500292
Energy: 1.0759103082120909
Energy: 1.1399640541892824
Energy: 1.0813797493894992
Energy: 1.1399640541892824

minimum gb energy = 1.0759103082120909 eV
minimum distance =  2.2667593873296 Angstroms
sigma value = 5


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

Energy: 1.4041002415292723
Energy: 1.0911367684124216
Energy: 1.2732689584944323
Energy: 1.0800626408334317
Energy: 1.34864567815155
Energy: 1.0714205894990192
Energy: 1.2363260583054194
Energy: 1.0714205894982567
Energy: 1.236636080366827
Energy: 1.1665503657677012
Energy: 1.2422231234535563
Energy: 1.1665503657677012
Energy: 1.0906283211881138
Energy: 1.0968348419858427
Energy: 1.2402279461113022
Energy: 1.0968348419850806
Energy: 1.239455051763159
Energy: 1.0733799780794813
Energy: 1.3515135925375252
Energy: 1.0733799780794813
Energy: 1.0756229077075445
Energy: 1.0739700029180221
Energy: 1.350298893551439
Energy: 1.07397000291726
Energy: 1.1072795901329495
Energy: 1.1081111437683502
Energy: 1.3411872936872573
Energy: 1.1081111437691125
Energy: 1.0717234341922042
Energy: 1.0721582422098683
Energy: 1.3826631703801233
Energy: 1.0721582422098683
Energy: 1.3027755412650863
Energy: 1.1264743262900143
Energy: 1.384265080080101
Energy: 1.1264743262900143
Energy: 1.2726276044480982
Energy: 1.0677612695963854
Energy: 1.0721339716161675
Energy: 1.06776126959791
Energy: 1.3015289455197936
Energy: 1.0683766654648421
Energy: 1.0684178761212764
Energy: 1.0683766654648421
Energy: 1.3888004005431647
Energy: 1.0693817119327158
Energy: 1.0709420596908519
Energy: 1.0693817119319535
Energy: 1.3923260450571617
Energy: 1.0581574966167338
Energy: 1.3432968827021927
Energy: 1.0581574966167338
Energy: 1.299795381645994
Energy: 1.1132212978449227
Energy: 1.243034743616156
Energy: 1.1132212978441605
Energy: 1.0740257465901675
Energy: 1.0774554797079328
Energy: 1.239161745941431
Energy: 1.077455479708695
Energy: 1.0713853866581262
Energy: 1.0716871073651482
Energy: 1.3455482421696867
Energy: 1.0716871073651482
Energy: 1.07119918783166
Energy: 1.0887536284615915
Energy: 1.0947495970760723
Energy: 1.0887536284608292
Energy: 1.2354787437732022
Energy: 1.0710577157072732
Energy: 1.3066429987326276
Energy: 1.0710577157087977
Energy: 1.2670944947163645
Energy: 1.167147348437051
Energy: 1.2361637971891606
Energy: 1.167147348437051
Energy: 1.2376424827794246
Energy: 1.0989246052185235
Energy: 1.133699602281913
Energy: 1.0989246052185235
Energy: 1.3490556767244333
Energy: 1.0727168809489678
Energy: 1.2384335168384406
Energy: 1.072716880946681
Energy: 1.3534583600709906
Energy: 1.073724248290289
Energy: 1.0785079043550658
Energy: 1.0737242482887641
Energy: 1.3424241666310068
Energy: 1.1072456473647296
Energy: 1.0746219742634275
Energy: 1.1072456473654917
Energy: 1.3922721898829957
Energy: 1.0732982736588375
Energy: 1.0717525504017817
Energy: 1.0732982736588375
Energy: 1.3870789417987182
Energy: 1.1143886048834397
Energy: 1.3019497633615755
Energy: 1.1143886048826777
Energy: 1.0693015667138404
Energy: 1.0684585608066948
Energy: 1.2732106065547313
Energy: 1.068458560807457
Energy: 1.0685834952843294
Energy: 1.0683152954745188
Energy: 1.302187544531926
Energy: 1.068315295475281
Energy: 1.068591834346242
Energy: 1.0682125835485268
Energy: 1.3035077665301298
Energy: 1.0682125835508136
Energy: 1.190868187740062
Energy: 1.0587295898781626
Energy: 1.3947494800962303
Energy: 1.0587295898796871
Energy: 1.2408896483306235
Energy: 1.1132094421147558
Energy: 1.3003517798156132
Energy: 1.1132094421094192
Energy: 1.2413046891626554
Energy: 1.0730004050050908
Energy: 1.0730013968349328
Energy: 1.0730004050050908
Energy: 1.3442445546110053
Energy: 1.0729186743356691
Energy: 1.073307587185021
Energy: 1.0729186743364312
Energy: 1.092204585848443
Energy: 1.0777494483795862
Energy: 1.0808113036259306
Energy: 1.0777494483811108

minimum gb energy = 1.0581574966167338 eV
minimum distance =  2.30087367979234 Angstroms
sigma value = 1


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

Energy: 1.4767531215087601
Energy: 1.0349903940330072
Energy: 1.2133996285154427
Energy: 1.0026497108173957
Energy: 1.3972103620508218
Energy: 1.016168730139432
Energy: 1.2433228515136514
Energy: 1.016168730139432
Energy: 1.2431239003390313
Energy: 1.1224016110594954
Energy: 1.241803210920126
Energy: 1.1224016110616035
Energy: 1.0592697864906073
Energy: 1.3279415368872314
Energy: 1.2457426883254992
Energy: 1.3279415368893395
Energy: 1.2468189529745244
Energy: 1.0190267474329278
Energy: 1.4005433600136796
Energy: 1.0190267474339816
Energy: 1.0210682179022479
Energy: 1.0194522561573212
Energy: 1.4010525913162903
Energy: 1.019452256156267
Energy: 1.0316498571103465
Energy: 1.0324840448215546
Energy: 1.3976992662361467
Energy: 1.0324840448226085
Energy: 1.016883062442807
Energy: 1.0169233859798419
Energy: 1.449544753474912
Energy: 1.0169233859787878
Energy: 1.4000053262955905
Energy: 1.075498453341149
Energy: 1.4535344234279572
Energy: 1.0754984533422027
Energy: 1.2701261091627556
Energy: 1.0168803773420025
Energy: 1.0181937374090013
Energy: 1.0168803773420025
Energy: 1.3979638587573089
Energy: 1.033108175392705
Energy: 1.0313120812614416
Energy: 1.033108175392705
Energy: 1.4567275262879058
Energy: 1.0184769556117463
Energy: 1.0192525753795239
Energy: 1.0184769556117463
Energy: 1.4525247397469987
Energy: 1.0200608559029714
Energy: 1.2418354230384656
Energy: 1.0200608559008633
Energy: 1.3988765835769235
Energy: 1.017946760953871
Energy: 1.241878392727945
Energy: 1.0179467609549253
Energy: 1.0333452331328168
Energy: 1.1214617503571886
Energy: 1.2437387837941818
Energy: 1.1214617503550808
Energy: 1.0318522706965507
Energy: 1.3113589540346962
Energy: 1.4023203878713055
Energy: 1.311358954033642
Energy: 1.035188835108272
Energy: 1.0326038523225236
Energy: 1.2457963261704936
Energy: 1.0326038523225236
Energy: 1.016646540070777
Energy: 1.016965841688665
Energy: 1.4026818478783478
Energy: 1.016965841688665
Energy: 1.03145660160493
Energy: 1.0322885342603059
Energy: 1.4515302245430803
Energy: 1.0322885342603059
Energy: 1.020846060017449
Energy: 1.0782945278901193
Energy: 1.4494897639811837
Energy: 1.0782945278901193
Energy: 1.2473120461339517
Energy: 1.035683415427558
Energy: 1.3981840450090361
Energy: 1.0356834154233419
Energy: 1.2493198650308566
Energy: 1.01708224612443
Energy: 1.0173592089333847
Energy: 1.0170822461254838
Energy: 1.3988387199191488
Energy: 1.0199349956590773
Energy: 1.0189533126033732
Energy: 1.0199349956601313
Energy: 1.452258241640044
Energy: 1.020908658468839
Energy: 1.019843312490178
Energy: 1.020908658468839

minimum gb energy = 1.0026497108173957 eV
minimum distance =  2.28893554331994 Angstroms
sigma value = 17


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

Energy: 1.559345763695387
Energy: 1.0222212119288034
Energy: 1.2342488361313466
Energy: 0.999982434740186
Energy: 1.2543679309091993
Energy: 1.010324320731837
Energy: 1.1552877126420404
Energy: 1.010324320731837
Energy: 1.2844445539896936
Energy: 1.2386560535633144
Energy: 1.163464461343991
Energy: 1.2386560535633144
Energy: 1.2928999216078352
Energy: 1.065068494103524
Energy: 1.1624998190029348
Energy: 1.065068494102221
Energy: 1.2831979544017904
Energy: 0.9963562615034858
Energy: 1.4208557417601477
Energy: 0.9963562615041373
Energy: 0.9971955623483926
Energy: 0.9971794117732034
Energy: 1.5108405048035873
Energy: 0.9971794117745063
Energy: 0.9962826060940695
Energy: 0.9966724004310311
Energy: 1.3493581091055205
Energy: 0.9966724004303796
Energy: 0.9978542934606146
Energy: 0.9971784556220217
Energy: 1.5523949663030467
Energy: 0.9971784556213702
Energy: 1.411789647058143
Energy: 0.9973913597302233
Energy: 1.473970771260092
Energy: 0.9973913597295717
Energy: 1.1699813430491175
Energy: 1.0608766051686822
Energy: 1.1585600822898632
Energy: 1.0608766051693337
Energy: 1.411843131463686
Energy: 1.0197069909062808
Energy: 1.0380248230801261
Energy: 1.0197069909069325
Energy: 1.5098261227873562
Energy: 1.0126232290504498
Energy: 1.1594145652754946
Energy: 1.0126232290504498
Energy: 1.5154022246257113
Energy: 1.019301801782677
Energy: 1.0212162946135277
Energy: 1.0193018017833284
Energy: 1.389148290602359
Energy: 1.0182389446462041
Energy: 1.016063642336893
Energy: 1.0182389446462041
Energy: 1.290689563771138
Energy: 1.0141335460390941
Energy: 1.0108280434186347
Energy: 1.0141335460384429
Energy: 1.5452856884387183
Energy: 1.0185111223426693
Energy: 1.5031767073615
Energy: 1.018511122341366
Energy: 1.0146322148928644
Energy: 1.0111951476842886
Energy: 1.4237734824808874
Energy: 1.0111951476836372
Energy: 1.0189340056421299
Energy: 1.019656378178394
Energy: 1.5062359345643614
Energy: 1.0196563781790453
Energy: 1.010277725375835
Energy: 1.0104765655073968
Energy: 1.4722070135857572
Energy: 1.0104765655060939
Energy: 1.1600291845018567
Energy: 1.0202923211904773
Energy: 1.5545596244678905
Energy: 1.0202923211917805
Energy: 1.156571134824154
Energy: 1.0114039162823325
Energy: 1.2544065207278319
Energy: 1.011403916282984
Energy: 1.158640723011609
Energy: 1.239482904230484
Energy: 1.2863617278981576
Energy: 1.239482904230484
Energy: 1.1659984230308906
Energy: 1.0646481290633676
Energy: 1.2904695056313187
Energy: 1.0646481290633676
Energy: 1.4227721628670964
Energy: 0.996269379186819
Energy: 1.147048861633236
Energy: 0.996269379185516
Energy: 1.5087800421844288
Energy: 0.9972161807431614
Energy: 0.99798723678047
Energy: 0.99721618074251
Energy: 1.3494739333680452
Energy: 0.9961054205039327
Energy: 0.995516319312701
Energy: 0.9961054205032812
Energy: 1.5552921056301938
Energy: 0.997880366115481
Energy: 0.999399134429752
Energy: 0.9978803661174354
Energy: 1.4701460806090516
Energy: 0.9967653972823989
Energy: 1.4131633706540496
Energy: 0.9967653972843532
Energy: 1.1572632831722058
Energy: 1.059509368195502
Energy: 1.168267671791655
Energy: 1.0595093681928958
Energy: 1.0372728569047425
Energy: 1.020427163863187
Energy: 1.413280687717211
Energy: 1.0204271638625353
Energy: 1.1625410671055254
Energy: 1.0179170005889737
Energy: 1.511302011313242
Energy: 1.0179170005889737
Energy: 1.0197456609286835
Energy: 1.0202696831368738
Energy: 1.5130241712864343
Energy: 1.0202696831368738
Energy: 1.0186104352642127
Energy: 1.019275371379729
Energy: 1.3893307209532006
Energy: 1.019275371379729
Energy: 1.011402775987029
Energy: 1.0107188891877341
Energy: 1.2938029915528888
Energy: 1.0107188891877341
Energy: 1.504867027111405
Energy: 1.0199166730351512
Energy: 1.5424231032747353
Energy: 1.0199166730344997
Energy: 1.4257935291125823
Energy: 1.0116217918474644
Energy: 1.0129145718825117
Energy: 1.0116217918474644
Energy: 1.5039424296094563
Energy: 1.0195903000207278
Energy: 1.0186575331772947
Energy: 1.0195903000194249
Energy: 1.4756900222781129
Energy: 1.0105690139996242
Energy: 1.0115528580927196
Energy: 1.0105690140002757

minimum gb energy = 0.995516319312701 eV
minimum distance =  2.29975741926427 Angstroms
sigma value = 89


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

Energy: 2.029437878159967
Energy: 0.9074302260893179
Energy: 0.9088848556866213
Energy: 0.9115702021098118
Energy: 0.9127265467035899
Energy: 0.9861491242245259
Energy: 0.9121969654020017
Energy: 0.9861491242245259
Energy: 0.907400920284654
Energy: 0.9862142436876707
Energy: 0.9164339225549694
Energy: 0.9862142436876707
Energy: 0.90435526982264
Energy: 0.9867366288211965
Energy: 0.9101986937171969
Energy: 0.9867366288211965
Energy: 0.9076982345345227
Energy: 0.9056546162715265
Energy: 1.2612671965669626
Energy: 0.9056546162715265
Energy: 0.9049086479830765
Energy: 0.9056964247726528
Energy: 1.260405614960513
Energy: 0.9056964247743574
Energy: 0.9043177390649092
Energy: 0.9056656473542842
Energy: 0.9105779183996859
Energy: 0.9056656473525796
Energy: 0.9070707385007676
Energy: 0.9059637825352131
Energy: 1.591204758697712
Energy: 0.9059637825352131
Energy: 0.9124059974562336
Energy: 0.9056214799005764
Energy: 1.595432940405969
Energy: 0.9056214799005764
Energy: 1.2563134111697865
Energy: 0.9872247296533705
Energy: 0.9089067351245772
Energy: 0.9872247296533705
Energy: 0.9124742453929788
Energy: 0.9881444959559211
Energy: 0.9046071611345117
Energy: 0.9881444959559211
Energy: 1.2588479400213888
Energy: 0.9055746506556714
Energy: 0.9080072517165741
Energy: 0.9055746506573373
Energy: 1.2618784303097121
Energy: 0.9054290104985937
Energy: 0.9063355477351636
Energy: 0.9054290104985937
Energy: 0.9098051527140972
Energy: 0.9052139823921828
Energy: 0.904800503135379
Energy: 0.9052139823921828
Energy: 1.5911262798020445
Energy: 0.9062729869923234
Energy: 0.9058962586982658
Energy: 0.9062729869923234

minimum gb energy = 0.9043177390649092 eV
minimum distance =  2.29086510048642 Angstroms
sigma value = 13


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

Energy: 1.4806404064695897
Energy: 0.8407271404032209
Energy: 1.1069417288690864
Energy: 0.8312654681688675
Energy: 1.3168217496901529
Energy: 0.8386196236889353
Energy: 1.0120507032443327
Energy: 0.838619623690364
Energy: 1.4663293962679231
Energy: 0.8369390879402497
Energy: 1.007248934189034
Energy: 0.8369390879431076
Energy: 1.1894163937704252
Energy: 0.8391645255119187
Energy: 1.164709648591432
Energy: 0.8391645255104898
Energy: 1.1659869529668818
Energy: 0.837498530529231
Energy: 1.3200666689288096
Energy: 0.8374985305249444
Energy: 1.0084185994650816
Energy: 0.8381842592759173
Energy: 1.3183558300662905
Energy: 0.8381842592780607
Energy: 1.00858312233376
Energy: 0.8369833699509969
Energy: 1.1626102387303503
Energy: 0.836983369949568
Energy: 1.0100830107562997
Energy: 0.837336123151185
Energy: 1.6213055913206822
Energy: 0.8373361231468981
Energy: 0.8363662966528442
Energy: 0.8418722070934636
Energy: 1.4501613625264083
Energy: 0.8418722070934636
Energy: 0.8354328367888612
Energy: 0.8364403438251137
Energy: 1.3227472677184922
Energy: 0.8364403438222558
Energy: 0.8380603832353198
Energy: 0.8418179647845508
Energy: 1.4795337010989371
Energy: 0.8418179647824076
Energy: 1.3181232340170503
Energy: 0.8836923953340087
Energy: 1.3224503622366022
Energy: 0.8836923953340087
Energy: 1.3216597034411375
Energy: 0.881059316802722
Energy: 1.3164126730921941
Energy: 0.8810593168048653
Energy: 1.3226280426162476
Energy: 0.8849970320025197
Energy: 1.18722554263605
Energy: 0.8849970320039484
Energy: 1.6167881255432446
Energy: 0.839734165460362
Energy: 1.1637408182391118
Energy: 0.8397341654582186
Energy: 1.6141766643633049
Energy: 0.8375061331599138
Energy: 0.842265132851311
Energy: 0.8375061331642008
Energy: 1.4408943465444413
Energy: 0.8365578110571926
Energy: 0.8410053462735216
Energy: 0.8365578110550493
Energy: 1.4766729819660125
Energy: 0.8396769267278363
Energy: 0.8376982430195292
Energy: 0.8396769267292653
Energy: 1.7549062935417188
Energy: 0.8414230274663793
Energy: 1.004944301000886
Energy: 0.8414230274670937
Energy: 1.323623602595548
Energy: 0.8363676863945483
Energy: 1.0157008100832872
Energy: 0.8363676863916905
Energy: 1.1939061288581232
Energy: 0.8381048185360135
Energy: 1.0071497746332723
Energy: 0.8381048185388713
Energy: 1.3251929819712627
Energy: 0.835856834873816
Energy: 1.318448873950419
Energy: 0.835856834873816
Energy: 1.011244116219393
Energy: 0.8399330804821354
Energy: 1.3205442798861948
Energy: 0.8399330804814209
Energy: 0.8424487409645088
Energy: 0.8362308590489698
Energy: 1.1645079167643364
Energy: 0.8362308590532564
Energy: 1.0081533204173296
Energy: 0.8372680346721557
Energy: 1.6179677710226519
Energy: 0.8372680346728701
Energy: 0.8364009541352818
Energy: 0.8360643413430735
Energy: 1.6158618118964168
Energy: 0.8360643413402157
Energy: 0.8358676700896397
Energy: 0.8355730705867704
Energy: 1.3220372063010082
Energy: 0.8355730705910572
Energy: 0.8435399216131131
Energy: 0.8398933295082011
Energy: 1.476800173741973
Energy: 0.8398933295074866
Energy: 1.3162719462109527
Energy: 0.8362410166620207
Energy: 1.1818379148347022
Energy: 0.8362410166677364
Energy: 1.017535207684957
Energy: 0.8840409154610497
Energy: 1.3170836982626544
Energy: 0.8840409154610497
Energy: 1.318486745523088
Energy: 0.88745756374982
Energy: 1.1915566406296498
Energy: 0.8874575637541067
Energy: 1.6137586364856782
Energy: 0.837206215553896
Energy: 1.163723531652466
Energy: 0.8372062155524671
Energy: 1.6176494963887973
Energy: 0.8399844335243224
Energy: 0.8384640028866867
Energy: 0.8399844335243224
Energy: 1.4425808692857842
Energy: 0.8355907989417553
Energy: 0.8353581641043287
Energy: 0.8355907989424698
Energy: 1.7598627901088715
Energy: 0.8374068168719888
Energy: 0.8387792155986141
Energy: 0.8374068168741322

minimum gb energy = 0.8312654681688675 eV
minimum distance =  2.29156359844543 Angstroms
sigma value = 37


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

Energy: 1.3217385007745848
Energy: 0.7286267723419374
Energy: 0.731369202149258
Energy: 0.7424729761394115
Energy: 1.31431435936543
Energy: 0.7270535209513982
Energy: 1.0190488925896377
Energy: 0.7270535209501691
Energy: 1.3075655789232068
Energy: 0.726590567751694
Energy: 1.0206672804799208
Energy: 0.726590567751694
Energy: 1.3071829697987452
Energy: 0.8160563931151501
Energy: 1.0204525653293137
Energy: 0.8160563931151501
Energy: 1.3133599141471066
Energy: 0.8156614876707945
Energy: 1.0260581857919284
Energy: 0.8156614876707945
Energy: 0.7327840713013293
Energy: 0.7292893879330025
Energy: 1.3135297758990314
Energy: 0.7292893879317732
Energy: 0.7306911511785258
Energy: 0.7262177606195724
Energy: 1.3128709087387926
Energy: 0.7262177606195724
Energy: 0.7316935444096743
Energy: 0.7310341101528676
Energy: 1.5607478044089325
Energy: 0.7310341101528676
Energy: 0.7263567625758073
Energy: 0.7289113888426525
Energy: 1.5617271376252395
Energy: 0.7289113888414234
Energy: 0.7259899994584975
Energy: 0.7279583427490957
Energy: 1.3107530902221434
Energy: 0.7279583427490957
Energy: 0.7313692068710103
Energy: 0.7424729761381823
Energy: 1.3217385007745848
Energy: 0.7286267689152118
Energy: 1.0190488925896377
Energy: 0.7270535209513982
Energy: 1.3143143593666589
Energy: 0.7270535209513982
Energy: 1.0206672804799208
Energy: 0.726590567751694
Energy: 1.3075655789232068
Energy: 0.726590567751694
Energy: 1.0204525653293137
Energy: 0.8160563931151501
Energy: 1.3071829697987452
Energy: 0.8160563931151501
Energy: 1.0260581857919284
Energy: 0.8156614876707945
Energy: 1.313359914148336
Energy: 0.8156614876707945
Energy: 1.3135297758990314
Energy: 0.7292893879317732
Energy: 0.7327840713001
Energy: 0.7292893879317732
Energy: 1.3128709087387926
Energy: 0.7262177606183431
Energy: 0.7306911511785258
Energy: 0.7262177606195724
Energy: 1.5607478044077034
Energy: 0.7310341101528676
Energy: 0.731693544408445
Energy: 0.7310341101528676
Energy: 1.5617271376252395
Energy: 0.7289113888414234
Energy: 0.7263567625758073
Energy: 0.7289113888414234
Energy: 1.3107530902344355
Energy: 0.7279583427503248
Energy: 0.7259899994584975
Energy: 0.7279583427490957

minimum gb energy = 0.7259899994584975 eV
minimum distance =  2.29523178742175 Angstroms
sigma value = 25


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

Energy: 1.6433189399083148
Energy: 0.6444356071250349
Energy: 0.6460628621706725
Energy: 0.6482608519626599
Energy: 1.5405333661584546
Energy: 0.642633538344676
Energy: 0.884339857225728
Energy: 0.642633538344676
Energy: 1.6305253331228906
Energy: 0.6418672197655337
Energy: 0.8830156266972926
Energy: 0.641867219764574
Energy: 1.222863864027064
Energy: 0.6437558504430012
Energy: 1.0176398513983735
Energy: 0.6437558504420413
Energy: 1.5390215931960873
Energy: 0.6425039154345601
Energy: 1.3256196831358023
Energy: 0.6425039154336003
Energy: 1.2176857097850795
Energy: 0.7087354090659054
Energy: 1.324392276242791
Energy: 0.7087354090668653
Energy: 1.2197305454312801
Energy: 0.6385454983834391
Energy: 1.4290346116193335
Energy: 0.638545498384399
Energy: 1.2239074615213443
Energy: 0.6409365184410234
Energy: 1.4310333607035763
Energy: 0.640936518442943
Energy: 0.8785047611260043
Energy: 0.6387720832751013
Energy: 1.7325652489978751
Energy: 0.6387720832741415
Energy: 0.8788784313391214
Energy: 0.6390514902750668
Energy: 1.5247707462282152
Energy: 0.6390514902731472
Energy: 0.762953090188192
Energy: 0.6406453294729121
Energy: 1.4346985026785049
Energy: 0.6406453294748318
Energy: 0.7739571493029973
Energy: 0.639433606592752
Energy: 1.5247739618470975
Energy: 0.639433606591792
Energy: 0.7587970015736144
Energy: 0.6368927625639688
Energy: 1.528322483251564
Energy: 0.6368927625649287
Energy: 1.000409493215441
Energy: 0.6402662189154213
Energy: 1.5325763164873043
Energy: 0.6402662189144616
Energy: 0.9965316406129708
Energy: 0.635213604672791
Energy: 1.5310700294421369
Energy: 0.6352136046708712
Energy: 0.9936988059959855
Energy: 0.636271382326755
Energy: 1.6321643350773516
Energy: 0.636271382326755
Energy: 1.3142496715770688
Energy: 0.6370158441462317
Energy: 1.6359596227308408
Energy: 0.6370158441395127
Energy: 1.0058591331708977
Energy: 0.7074110777528259
Energy: 1.2224104994314926
Energy: 0.7074110777518661
Energy: 1.3117494183910952
Energy: 0.7060797136995803
Energy: 1.2189783795797327
Energy: 0.7060797137015001
Energy: 1.5409873897190516
Energy: 0.7057961030597822
Energy: 1.2184307945990127
Energy: 0.705796103060742
Energy: 1.433682955090929
Energy: 0.7064135234421576
Energy: 0.8827494825627265
Energy: 0.7064135234421576
Energy: 1.540812204043335
Energy: 0.6414548220363161
Energy: 0.764559038635301
Energy: 0.641454822037276
Energy: 1.836207999245845
Energy: 0.6440569552586868
Energy: 0.8787652933068505
Energy: 0.6440569552577268
Energy: 1.4330959200495494
Energy: 0.6476302250547461
Energy: 0.6489109854495907
Energy: 0.6476302250547461
Energy: 1.5394762130561295
Energy: 0.6405710906726317
Energy: 0.6422223929779086
Energy: 0.6405710906735915
Energy: 1.6341532334708921
Energy: 0.6432183424931753
Energy: 0.647626144106137
Energy: 0.6432183424941351

minimum gb energy = 0.6352136046708712 eV
minimum distance =  2.29051724554986 Angstroms
sigma value = 41


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

Energy: 1.6775926348567676
Energy: 0.5792890232795106
Energy: 0.8841888910713961
Energy: 0.5797896943253121
Energy: 1.67191365485049
Energy: 0.5716541283057484
Energy: 0.7700011127570106
Energy: 0.5716541283081091
Energy: 1.666299037730454
Energy: 0.5702268164681363
Energy: 0.7724822849932068
Energy: 0.5702268164673494
Energy: 1.3230436126035554
Energy: 0.5737786507396166
Energy: 1.1484940269181367
Energy: 0.5737786507302451
Energy: 1.669527269297062
Energy: 0.5685868327308352
Energy: 1.1457904513283128
Energy: 0.5685868327300484
Energy: 1.3156965433421748
Energy: 0.62437693181026
Energy: 1.1428380493614358
Energy: 0.6243769317976693
Energy: 1.3196968119271117
Energy: 0.624566590425056
Energy: 1.4918167631916726
Energy: 0.6245665904234821
Energy: 1.3204154428792565
Energy: 0.6271645993944258
Energy: 1.148672733285023
Energy: 0.6271645993944258
Energy: 0.9713598135139875
Energy: 0.5692167387962336
Energy: 1.4903427941577585
Energy: 0.5692167387970204
Energy: 0.9703602077154047
Energy: 0.5689420220147496
Energy: 1.6712091759162926
Energy: 0.5689420220147496
Energy: 0.776365082887135
Energy: 0.5762359530496093
Energy: 1.5010817127352938
Energy: 0.5762359530519701
Energy: 0.7723895708130908
Energy: 0.5690782227855289
Energy: 1.671560911949864
Energy: 0.5690782227871026
Energy: 0.7713009520196148
Energy: 0.5728421551714871
Energy: 1.8402388308060342
Energy: 0.5728421551707001
Energy: 0.5751637888980335
Energy: 0.5759852088285111
Energy: 1.4989181312355793
Energy: 0.5759852088285111
Energy: 0.5699400315839146
Energy: 0.5693041383569909
Energy: 1.6695956423125258
Energy: 0.5693041383585646
Energy: 0.5745234813850056
Energy: 0.5715896712776933
Energy: 1.6702380771378265
Energy: 0.5715896712776933
Energy: 0.7767790132416112
Energy: 0.5725038918402465
Energy: 1.6730402116638161
Energy: 0.5725038918394596
Energy: 0.7739522985499212
Energy: 0.570090104929843
Energy: 1.6689594362782547
Energy: 0.570090104929843
Energy: 0.7722514627336944
Energy: 0.5717896687961478
Energy: 1.3199755058832536
Energy: 0.5717896687961478
Energy: 1.1441782608387183
Energy: 0.5702463042191495
Energy: 1.317848241540514
Energy: 0.5702463042191495
Energy: 1.1486001499373768
Energy: 0.5692154395994216
Energy: 1.4915089686925325
Energy: 0.5692154395962739
Energy: 1.1445061698141967
Energy: 0.62742497533551
Energy: 1.3205014074771846
Energy: 0.6274249753937422
Energy: 1.4904276410428685
Energy: 0.6230817319904539
Energy: 1.3145506572873429
Energy: 0.6230817319896669
Energy: 1.1479925808946476
Energy: 0.6289847403180234
Energy: 1.144346363183882
Energy: 0.6289847403188102
Energy: 1.4926208188262144
Energy: 0.569179696057826
Energy: 0.9760456524497807
Energy: 0.5691796960601869
Energy: 1.4935079171155405
Energy: 0.5700272227097417
Energy: 1.1433515392681974
Energy: 0.5700272227121024
Energy: 1.4959269165420768
Energy: 0.5721227478105331
Energy: 0.7763223630832522
Energy: 0.5721227478097463
Energy: 1.6691725973359195
Energy: 0.5697178143337158
Energy: 0.7733852296184729
Energy: 0.5697178143352896
Energy: 1.496176132585381
Energy: 0.5737948399981173
Energy: 0.7758612241317027
Energy: 0.5737948399981173
Energy: 1.4951339316653796
Energy: 0.5716201982648973
Energy: 0.574750951879168
Energy: 0.5716201982641104
Energy: 1.6697797487283066
Energy: 0.5692774371383932
Energy: 0.5701505211267782
Energy: 0.5692774371368193
Energy: 1.6752903274878796
Energy: 0.5753446245062916
Energy: 0.5767415114890416
Energy: 0.5753446245062916

minimum gb energy = 0.5685868327300484 eV
minimum distance =  2.30485979308628 Angstroms
sigma value = 15


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

Energy: 1.4728790666052023
Energy: 0.5320081641266479
Energy: 0.8490549806497129
Energy: 0.5301555745776927
Energy: 1.771695003152617
Energy: 0.5230781331287934
Energy: 0.6932559349690467
Energy: 0.5230781331281266
Energy: 1.765437098727589
Energy: 0.5227567094787117
Energy: 0.6965342622961899
Energy: 0.5227567094787117
Energy: 1.4711629406488205
Energy: 0.5259848824263487
Energy: 1.020887756457909
Energy: 0.5259848824263487
Energy: 1.7684185027531456
Energy: 0.5196426393313843
Energy: 1.0154583307621703
Energy: 0.5196426393307177
Energy: 1.4626837239992605
Energy: 0.5209952857308452
Energy: 1.0128302241957114
Energy: 0.520995285712846
Energy: 1.1645917959217513
Energy: 0.78520765585382
Energy: 1.3128116832528436
Energy: 0.78520765585382
Energy: 1.4668292522177815
Energy: 0.5735317163483594
Energy: 1.0185895795209483
Energy: 0.5735317163503593
Energy: 1.1620144740453513
Energy: 0.5698801179789537
Energy: 1.3103221105995984
Energy: 0.5698801179769537
Energy: 1.1604511858489415
Energy: 0.7829671833212893
Energy: 1.6122915849026578
Energy: 0.7829671833246226
Energy: 1.0205216196607987
Energy: 0.5264032547016477
Energy: 1.3204326649302682
Energy: 0.5264032547056475
Energy: 0.8685325176897906
Energy: 0.5200608030215915
Energy: 1.612959830157648
Energy: 0.5200608030229248
Energy: 1.015782359955266
Energy: 0.5208317493344868
Energy: 1.613563753745596
Energy: 0.5208317493331537
Energy: 0.6984325887877245
Energy: 0.5259997789030243
Energy: 1.3184459089109737
Energy: 0.5259997789023575
Energy: 0.6962694033162625
Energy: 0.5214297956713049
Energy: 1.7685064090391172
Energy: 0.5214297956706382
Energy: 0.6963187359330462
Energy: 0.5234408560615249
Energy: 1.6173547058090412
Energy: 0.5234408560615249
Energy: 0.5263933939927142
Energy: 0.5242852417304044
Energy: 1.6197340603725805
Energy: 0.5242852417317376
Energy: 0.520914674928018
Energy: 0.5211979381723909
Energy: 1.7677306345174433
Energy: 0.5211979381723909
Energy: 0.5285518701103945
Energy: 0.5241006046810344
Energy: 1.468266113331661
Energy: 0.5241006046810344
Energy: 0.696874046137931
Energy: 0.5243825713698175
Energy: 1.7700766582971297
Energy: 0.5243825713664844
Energy: 0.6967745783500913
Energy: 0.5216647010902197
Energy: 1.7682930125398635
Energy: 0.5216647010908864
Energy: 0.6986913922695405
Energy: 0.526074296926841
Energy: 1.468760778134584
Energy: 0.5260742969255077
Energy: 1.0131906496537426
Energy: 0.5209940815919982
Energy: 1.4619370837244763
Energy: 0.5209940815946648
Energy: 1.0176403372698584
Energy: 0.520094946066603
Energy: 1.6146512623103788
Energy: 0.5200949460626032
Energy: 1.0190407038493352
Energy: 0.5235360132281854
Energy: 1.1692639166498173
Energy: 0.5235360132301853
Energy: 1.3119997861050152
Energy: 0.7833056176690577
Energy: 1.6153813521334683
Energy: 0.7833056176683911
Energy: 1.0151859563720542
Energy: 0.5691353839798735
Energy: 1.3128411313455022
Energy: 0.5691353839792068
Energy: 1.3165550199530338
Energy: 0.572476660330024
Energy: 1.1677175904601254
Energy: 0.5724766603273576
Energy: 1.3155865032085827
Energy: 0.7847906830216392
Energy: 1.3133949339708633
Energy: 0.7847906830229726
Energy: 1.3124457287857134
Energy: 0.5209171231604709
Energy: 1.0143482775727373
Energy: 0.5209171231598042
Energy: 1.6210998793569296
Energy: 0.5198153319330944
Energy: 0.8691981588297527
Energy: 0.5198153319324277
Energy: 1.3180275566050546
Energy: 0.5254438806834355
Energy: 1.0200949183514358
Energy: 0.525443880680769
Energy: 1.6137703092926627
Energy: 0.5214088024768553
Energy: 0.6972270435959296
Energy: 0.5214088024761887
Energy: 1.7703418877653792
Energy: 0.5222576051600772
Energy: 0.6957541173556764
Energy: 0.5222576051594107
Energy: 1.6252380509982285
Energy: 0.5297805497321768
Energy: 0.702999297589228
Energy: 0.5297805497321768
Energy: 1.7706403671095914
Energy: 0.5233522423287316
Energy: 0.5236863713280754
Energy: 0.523352242328065
Energy: 1.7643650498751782
Energy: 0.5229539543870481
Energy: 0.5224524590489082
Energy: 0.5229539543863814

minimum gb energy = 0.5196426393307177 eV
minimum distance =  2.30317782061088 Angstroms
sigma value = 85


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

Energy: 1.635721636597667
Energy: 0.4468032445944106
Energy: 0.4474176537034737
Energy: 0.44915676125408605
Energy: 1.8138705467936949
Energy: 0.44744112947829273
Energy: 0.6053614223583375
Energy: 0.44744112947829273
Energy: 1.62222198998539
Energy: 0.4461962309125592
Energy: 0.6050885643559837
Energy: 0.4461962309125592
Energy: 1.3497967654616403
Energy: 0.45045858162927266
Energy: 0.8977644906579775
Energy: 0.45045858162869445
Energy: 1.688153646300417
Energy: 0.44657783753877595
Energy: 0.8948660299006227
Energy: 0.44657783753706776
Energy: 1.3555316659431635
Energy: 0.44739106007657614
Energy: 0.8932932676802066
Energy: 0.44739106413178836
Energy: 1.3592620741007702
Energy: 0.4477447061532162
Energy: 1.1608003435427057
Energy: 0.4477447053273778
Energy: 1.4273161348448233
Energy: 0.44710184320834173
Energy: 0.9577520734062359
Energy: 0.4471018431031672
Energy: 1.3592173979141497
Energy: 0.7064533603995009
Energy: 1.157991408007871
Energy: 0.7064533603983446
Energy: 1.3589728109510022
Energy: 0.9141472036597623
Energy: 1.4227000624394812
Energy: 0.9141472036591842
Energy: 1.1621363408134906
Energy: 0.44480781829597993
Energy: 1.229269052971653
Energy: 0.44479694728429103
Energy: 1.093980569391366
Energy: 0.4451649232195211
Energy: 1.4226428631078385
Energy: 0.445164923926887
Energy: 1.1593934152755445
Energy: 0.44528408099695005
Energy: 1.489438844246266
Energy: 0.44528408099926264
Energy: 0.8971343893308596
Energy: 0.44645437241319547
Energy: 1.2201369822333017
Energy: 0.4464543724114609
Energy: 0.8283944718440683
Energy: 0.4445834358505504
Energy: 1.682767484210167
Energy: 0.4445834358470814
Energy: 0.8956723616673091
Energy: 0.4459702227613857
Energy: 1.4897840281299937
Energy: 0.4459702267345502
Energy: 0.5945895571388773
Energy: 0.44680552262376877
Energy: 1.491784102830372
Energy: 0.44680552262376877
Energy: 0.597120458408921
Energy: 0.4454841279952325
Energy: 1.749857043011472
Energy: 0.4454841279952325
Energy: 0.594884113018313
Energy: 0.4442092756542129
Energy: 1.7596988059197267
Energy: 0.44420927565363477
Energy: 0.524400373340176
Energy: 0.4441837676028618
Energy: 1.7586909843034102
Energy: 0.4441837676028618
Energy: 0.5243259916529458
Energy: 0.44295482901503525
Energy: 1.8133713292012388
Energy: 0.44295482901503525
Energy: 0.5225109241477083
Energy: 0.4437649354795785
Energy: 1.5603483674340857
Energy: 0.4437649354795785
Energy: 0.6813112939738166
Energy: 0.4448226486219506
Energy: 1.8186364575244693
Energy: 0.44482264862368515
Energy: 0.685560212505001
Energy: 0.4443272559018943
Energy: 1.8101675806243456
Energy: 0.4443272559018943
Energy: 0.6804921271463145
Energy: 0.44836164168670484
Energy: 1.3496374732371939
Energy: 0.44836164168554843
Energy: 0.8858709443592293
Energy: 0.44465982419074823
Energy: 1.8162041870383658
Energy: 0.4446598241890137
Energy: 0.8863643880004765
Energy: 0.44479643351619264
Energy: 1.6190421893942992
Energy: 0.4447964335156145
Energy: 1.1644853076180663
Energy: 0.4471429942747422
Energy: 1.3538098654327813
Energy: 0.44714299424699006
Energy: 1.1632155266723603
Energy: 0.44445786176788404
Energy: 1.6208367196948132
Energy: 0.44445786169217
Energy: 1.1610753500182116
Energy: 0.4444588549794116
Energy: 1.3561430797707088
Energy: 0.44445884426661336
Energy: 1.4255768030677676
Energy: 0.712409082442865
Energy: 1.0874888704623453
Energy: 0.7124090824960306
Energy: 1.2257099847888075
Energy: 0.639233003844441
Energy: 1.3630109742172207
Energy: 0.6392330038438628
Energy: 1.4243118611154888
Energy: 0.7011769192345634
Energy: 1.0902218696421793
Energy: 0.7011769192345634
Energy: 1.6836735368823936
Energy: 0.44727955972839056
Energy: 1.0914246475394906
Energy: 0.44727955972665606
Energy: 1.2167397467906151
Energy: 0.4492702489283508
Energy: 1.1007580424743715
Energy: 0.44927024892950723
Energy: 1.6839977847991765
Energy: 0.44648567820909335
Energy: 0.8946514664889811
Energy: 0.4464856782096715
Energy: 1.7513647023207093
Energy: 0.4471102507466223
Energy: 0.8932984318001077
Energy: 0.4471102507460441
Energy: 1.4875203038241134
Energy: 0.4463278446806909
Energy: 0.6045505894526845
Energy: 0.4463278446801127
Energy: 1.8126673047676518
Energy: 0.446160474484528
Energy: 0.6041196624802293
Energy: 0.44616047448568424
Energy: 1.7569705196557057
Energy: 0.44825868620948406
Energy: 0.6051076985556927
Energy: 0.4482586862089059
Energy: 1.488342385937111
Energy: 0.44733745699382
Energy: 0.4464697750996873
Energy: 0.4473374569943982
Energy: 1.8117931390892927
Energy: 0.445513895326732
Energy: 0.4470177686512431
Energy: 0.44551389532731017
Energy: 1.6249403322675708
Energy: 0.44915339245116165
Energy: 0.4507133174222011
Energy: 0.4491533924505835

minimum gb energy = 0.44295482901503525 eV
minimum distance =  2.29487165660975 Angstroms
sigma value = 113


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

Energy: 0.018552585705236265
Energy: 0.4579891607818854
Energy: 1.4304303330925339
Energy: 0.01911463824824091
Energy: 1.081296627125209
Energy: 0.10844565497001273
Energy: 1.0786090584546515
Energy: 0.10844565497001273
Energy: 0.019430585271530604
Energy: 0.1105971963057
Energy: 1.0766133913382328
Energy: 0.1105971963057
Energy: 0.020311028193933357
Energy: 0.11219612628276814
Energy: 1.0812258370336518
Energy: 0.11219612628232366
Energy: 1.0781825407944268
Energy: 0.11050254813548491
Energy: 1.0804368935028092
Energy: 0.11050254813504044
Energy: 0.026241021138707316
Energy: 0.10800942825614841
Energy: 1.0769461246444068
Energy: 0.10800942825570395

minimum gb energy = 0.018552585705236265 eV
minimum distance =  2.51702490474003 Angstroms
sigma value = 1