Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
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=3.452464193105698
cohesive_energy=4.501689179231084
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=[1.6157470700899797e-19, 2.30461893564462e-19, 2.93930518743738e-19, 3.6430933174545594e-19, 4.1978629987433996e-19, 4.61734488505728e-19, 4.95936153111726e-19, 5.256949819116419e-19, 5.53290872255658e-19, 5.793695013272759e-19, 6.03173039578614e-19, 6.238795703964299e-19, 6.41333682647226e-19, 6.55822165948488e-19, 6.677744036381279e-19, 6.77741544478242e-19, 6.86334017766384e-19, 6.9405490696563e-19, 7.011717755738579e-19, 7.076557844116559e-19, 7.13239369981146e-19, 7.17552429479874e-19, 7.20268118874504e-19, 7.211941769689559e-19, 7.201655795699279e-19, 7.168314499945739e-19, 7.108505246198519e-19, 7.019199920619359e-19, 6.897338365837318e-19, 6.7393957932576e-19, 6.540469542380159e-19, 6.293205622454939e-19, 5.98691751533316e-19, 5.60739391427124e-19, 5.13904564062036e-19, 4.57040110968108e-19, 3.8937858953765396e-19, 3.09373899318864e-19, 2.1228680182836597e-19, 8.864570945894219e-20, -7.340083856876879e-20, -2.85105729843666e-19, -5.58682196629068e-19, -9.10478528862984e-19, -1.3614592078013038e-18, -1.94991305064336e-18, -2.74342307216454e-18, -3.83514623057214e-18]
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: 2.47646694817583e-12 eV

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

Energy: 0.01903420778981585
Energy: 0.019358868781999335
Energy: 0.6999116066007268
Energy: 0.16293436492134053
Energy: 0.019358868781999335
Energy: 0.8539215325208649
Energy: 0.1629343649220282
Energy: 0.8539215325222402
Energy: 0.6999116065993898
Energy: 0.16293436492134053
Energy: 0.01903420778981585
Energy: 0.01935886878134987
Energy: 0.16293436492134053
Energy: 0.8539215325242268
Energy: 0.019358868781999335
Energy: 0.8539215325242268

minimum gb energy = 0.01903420778981585 eV
minimum distance =  2.37089676035372 Angstroms
sigma value = 1


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

Energy: 1.4009909007453096
Energy: 1.082558128437417
Energy: 1.1116649747075713
Energy: 1.1106400792698141
Energy: 1.0316552278880415
Energy: 1.2034416085253528
Energy: 1.0607485981500653
Energy: 1.2034416085253528
Energy: 1.1133414905100072
Energy: 1.1166333710644776
Energy: 1.5524156268985454
Energy: 1.1166333710653114
Energy: 1.063475600048406
Energy: 1.0618463496915946
Energy: 1.0604668125502084
Energy: 1.0618463496915946
Energy: 1.2950831254547932
Energy: 1.0594491288357848
Energy: 1.060069566254811
Energy: 1.0594491288341166
Energy: 1.0648688204582508
Energy: 1.150784687399473
Energy: 1.0585411380506349
Energy: 1.1507846873961367
Energy: 1.0490641498113655
Energy: 1.0866065952066162
Energy: 1.3014504303694512
Energy: 1.0866065952057824
Energy: 1.0641065157733747
Energy: 1.1036890100658123
Energy: 1.1045388519826227
Energy: 1.103689010066646
Energy: 1.1227542216512754
Energy: 1.1237203803473348
Energy: 1.1263189211091968
Energy: 1.1237203803448328
Energy: 1.127837841460284
Energy: 1.1286333079128152
Energy: 1.0810744496804192
Energy: 1.128633307910313
Energy: 1.1897688610877923
Energy: 1.1239209563157944
Energy: 1.127278934757205
Energy: 1.1239209563182964
Energy: 1.065107196942949
Energy: 1.1261146827812483
Energy: 1.1030310174487965
Energy: 1.12611468278375
Energy: 1.0499069173557047
Energy: 1.0862764716828222
Energy: 1.0335508070989095
Energy: 1.0862764716819882
Energy: 1.0663877121795602
Energy: 1.0706534103866
Energy: 1.0833920372800319
Energy: 1.070653410384932
Energy: 1.0292699787366255
Energy: 1.0577840018902158
Energy: 1.058850338306394
Energy: 1.0577840018910498
Energy: 1.081152535890985
Energy: 1.0594828806229486
Energy: 1.0595561318750026
Energy: 1.0594828806246166
Energy: 1.1104206227528808
Energy: 1.1105401131212036
Energy: 1.076952030223886
Energy: 1.1105401131170338
Energy: 1.0596959673867001
Energy: 1.0602602742720109
Energy: 1.0311361274690105
Energy: 1.0602602742753469
Energy: 1.0486563189381333
Energy: 1.1151460021650126
Energy: 1.1157506546101112
Energy: 1.1151460021608426
Energy: 1.1068740842099571
Energy: 1.0529633938590812
Energy: 1.062570896932309
Energy: 1.0529633938565794
Energy: 1.0615842134196902
Energy: 1.0611425786565056
Energy: 1.293581976202175
Energy: 1.0611425786556716
Energy: 1.0580320686540263
Energy: 1.0616139037242271
Energy: 1.0635912413044935
Energy: 1.0616139037225594
Energy: 1.2988457291997015
Energy: 1.0489402017691962
Energy: 1.0555120131917504
Energy: 1.0489402017650264
Energy: 1.105138169265064
Energy: 1.047935276136598
Energy: 1.0702536289351723
Energy: 1.0479352761382659
Energy: 1.093302786240275
Energy: 1.1264975886983903
Energy: 1.1232082337411742
Energy: 1.1264975886992243
Energy: 1.0824799846481818
Energy: 1.110132841948728
Energy: 1.1302523131495497
Energy: 1.11013284194706
Energy: 1.1279661957845988
Energy: 1.1256378415168455
Energy: 1.0740777752735904
Energy: 1.1256378415160118
Energy: 1.1053753668276798
Energy: 1.1213703196180487
Energy: 1.064633707903629
Energy: 1.1213703196180487
Energy: 1.0329218097762602
Energy: 1.0867931025806523
Energy: 1.0497837948138897
Energy: 1.086793102578984
Energy: 1.08130674950299
Energy: 1.0877245090035446
Energy: 1.065933343475281
Energy: 1.0877245090035446
Energy: 1.0573499616469235
Energy: 1.057007182909545
Energy: 1.0319155517723482
Energy: 1.0570071829045413
Energy: 1.0588411722802678
Energy: 1.0597224568450518
Energy: 1.0802304739889805
Energy: 1.0597224568442178
Energy: 1.0722456690237592
Energy: 1.1115790813930693
Energy: 1.1118077750411526
Energy: 1.1115790813922353

minimum gb energy = 1.0292699787366255 eV
minimum distance =  2.21703753082578 Angstroms
sigma value = 1


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

Energy: 1.6304275307683296
Energy: 1.0901123037093579
Energy: 1.127259239557304
Energy: 1.125904128178338
Energy: 1.037768364635109
Energy: 1.2204393435572556
Energy: 1.0656988526565516
Energy: 1.220439343561059
Energy: 1.126772136788583
Energy: 1.1309648867787099
Energy: 1.461019381123823
Energy: 1.130964886784415
Energy: 1.072835130474459
Energy: 1.0686030210150028
Energy: 1.066175940849847
Energy: 1.0686030210197572
Energy: 1.468179781568896
Energy: 1.0668501392899845
Energy: 1.0696090521104944
Energy: 1.06685013928523
Energy: 1.088105152103182
Energy: 1.1657071894074655
Energy: 1.067042758473996
Energy: 1.1657071894027111
Energy: 1.0801674412739017
Energy: 1.1150521439248355
Energy: 1.2042133822001195
Energy: 1.1150521439229337
Energy: 1.094614156070241
Energy: 1.0865469967091061
Energy: 1.1283819658433565
Energy: 1.08654699671291
Energy: 1.2143956472072919
Energy: 1.1578669769321746
Energy: 1.108643560313578
Energy: 1.157866976936929
Energy: 1.1649481098626608
Energy: 1.1762911744055127
Energy: 1.085962104143146
Energy: 1.1762911744055127
Energy: 1.3063140361309888
Energy: 1.114939561337461
Energy: 1.074118500957562
Energy: 1.1149395613393631
Energy: 1.1046424577964749
Energy: 1.1170682997809274
Energy: 1.0848346418717194
Energy: 1.1170682997809274
Energy: 1.066342813354041
Energy: 1.0656095033345159
Energy: 1.299907321624421
Energy: 1.0656095033345159
Energy: 1.0676863399163343
Energy: 1.0673505681972424
Energy: 1.087875592414032
Energy: 1.0673505682019968
Energy: 1.081794684882321
Energy: 1.125465569273892
Energy: 1.1280329132499183
Energy: 1.1254655692748428
Energy: 1.0373345631301492
Energy: 1.0667465412681283
Energy: 1.0660577674994411
Energy: 1.0667465412671777
Energy: 1.1326336985321115
Energy: 1.1301228308699993
Energy: 1.0533745868082462
Energy: 1.130122830873803
Energy: 1.0733130860714304
Energy: 1.0647476570214158
Energy: 1.122065789446417
Energy: 1.064747657012858
Energy: 1.058787551914159
Energy: 1.0690362736174905
Energy: 1.0661078683203224
Energy: 1.0690362736174905
Energy: 1.090030067569945
Energy: 1.068201433035265
Energy: 1.0663045416013932
Energy: 1.0682014330381173
Energy: 1.08344178356623
Energy: 1.1145797839429907
Energy: 1.2037009398545733
Energy: 1.114579783939187
Energy: 1.088503512542193
Energy: 1.1129325695077514
Energy: 1.1288770326067525
Energy: 1.1129325695039478
Energy: 1.213732203472762
Energy: 1.1613499568815964
Energy: 1.1141004262766998
Energy: 1.1613499568930068
Energy: 1.1286420230029006
Energy: 1.1653164268368026
Energy: 1.0837175441459728
Energy: 1.1653164268368026
Energy: 1.039643487710096
Energy: 1.114813093952459
Energy: 1.07304747785755
Energy: 1.114813093952459
Energy: 1.1037059252191053
Energy: 1.1183705564454605
Energy: 1.0923505275602927
Energy: 1.1183705564511657
Energy: 1.0638139142358132
Energy: 1.0644647164070808
Energy: 1.0352447011900605
Energy: 1.0644647164023264
Energy: 1.0679979250525329
Energy: 1.0675536879771104
Energy: 1.0894494500383092
Energy: 1.067553687979963
Energy: 1.0764692989102052
Energy: 1.0720010607691344
Energy: 1.1283361242478884
Energy: 1.072001060772938

minimum gb energy = 1.0352447011900605 eV
minimum distance =  2.17230077889239 Angstroms
sigma value = 25


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

Energy: 1.5178357971484309
Energy: 1.0921073193543689
Energy: 1.1410269714731527
Energy: 1.141664934570219
Energy: 1.0455000137433925
Energy: 1.2256788730081003
Energy: 1.0715519173201222
Energy: 1.2256788730069952
Energy: 1.1486973311834694
Energy: 1.138279125443904
Energy: 1.346439151220376
Energy: 1.1382791254450093
Energy: 1.0823340373302235
Energy: 1.0725117755848739
Energy: 1.071123824523444
Energy: 1.0725117755859792
Energy: 1.057629085963398
Energy: 1.0727496676286243
Energy: 1.0723357198189314
Energy: 1.0727496676275188
Energy: 1.148893492486213
Energy: 1.0707000951137549
Energy: 1.0814432163230863
Energy: 1.07070009511486
Energy: 1.112094312862841
Energy: 1.1473077386218797
Energy: 1.1135850939692193
Energy: 1.1473077386218797
Energy: 1.113062502884058
Energy: 1.150057589081534
Energy: 1.2106532474720686
Energy: 1.1500575890804285
Energy: 1.1251153925791268
Energy: 1.1477611303360133
Energy: 1.1952902708376871
Energy: 1.1477611303371185
Energy: 1.1109594715762103
Energy: 1.200084331110659
Energy: 1.0747278319223144
Energy: 1.200084331110659
Energy: 1.0816072366367064
Energy: 1.0720221475585736
Energy: 1.0806335124713469
Energy: 1.0720221475552576
Energy: 1.1424078057400082
Energy: 1.0710176621130831
Energy: 1.0725275831976515
Energy: 1.0710176621130831
Energy: 1.1416505318360293
Energy: 1.1451453549336639
Energy: 1.0695408394702342
Energy: 1.1451453549358748
Energy: 1.070818148563912
Energy: 1.071382465037337
Energy: 1.046105508222827
Energy: 1.0713824650384425
Energy: 1.0531625281862587
Energy: 1.1391274708751973
Energy: 1.1457542322210559
Energy: 1.1391274708763028
Energy: 1.1802309589329865
Energy: 1.0713831697974696
Energy: 1.1461168613452186
Energy: 1.071383169798575
Energy: 1.0720293046385798
Energy: 1.0716322595797936
Energy: 1.0592754739325916
Energy: 1.0716322595797936
Energy: 1.0799628497866771
Energy: 1.08130981862891
Energy: 1.1492592100039354
Energy: 1.0813098186278047
Energy: 1.113804572899969
Energy: 1.1477788252621295
Energy: 1.1120068125375588
Energy: 1.1477788252621295
Energy: 1.2151272159270914
Energy: 1.148093733343838
Energy: 1.1070666938315203
Energy: 1.1480937333427323
Energy: 1.0443243767652917
Energy: 1.1480232776582855
Energy: 1.1237867499043566
Energy: 1.1480232776582855
Energy: 1.0459064960033149
Energy: 1.1480370727241413
Energy: 1.1622350605901273
Energy: 1.1480370727241413
Energy: 1.0796219031789533
Energy: 1.071577414811979
Energy: 1.0831653540144597
Energy: 1.071577414811979
Energy: 1.0721118024123026
Energy: 1.0704429577579877
Energy: 1.0819533332788323
Energy: 1.070442957752461
Energy: 1.070385280723318
Energy: 1.0816875915023791
Energy: 1.1423575137941313
Energy: 1.0816875915012738

minimum gb energy = 1.0443243767652917 eV
minimum distance =  2.17223994219928 Angstroms
sigma value = 9


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

Energy: 1.4689773889666915
Energy: 1.112894132424185
Energy: 1.1711841127288507
Energy: 1.1717262940215694
Energy: 1.138805714687742
Energy: 1.2537079121495438
Energy: 1.1377848987618113
Energy: 1.2537079121508625
Energy: 1.1773437351424139
Energy: 1.1743270381100699
Energy: 1.7055752722753559
Energy: 1.1743270381100699
Energy: 1.1762239312265403
Energy: 1.2858021128109294
Energy: 1.1457657883560082
Energy: 1.2858021128135666
Energy: 1.2978711529407558
Energy: 1.135811578533915
Energy: 1.1347816477242438
Energy: 1.135811578533915
Energy: 1.1815391614750586
Energy: 1.1495843101136736
Energy: 1.1489442128318217
Energy: 1.1495843101136736
Energy: 1.1565820586442228
Energy: 1.2239774712247733
Energy: 1.1485268790795597
Energy: 1.2239774712260918
Energy: 1.1063877744603234
Energy: 1.2321493470060536
Energy: 1.1667720437601867
Energy: 1.2321493470073726
Energy: 1.1087543328605531
Energy: 1.108621206332477
Energy: 1.101575987584207
Energy: 1.1086212063337955
Energy: 1.143531367559415
Energy: 1.0729796427603289
Energy: 1.0943269269633158
Energy: 1.0729796427616476
Energy: 1.052441445727674
Energy: 1.1015785475308597
Energy: 1.1002301772299454
Energy: 1.101578547529541
Energy: 1.1434885922439462
Energy: 1.0714045158438483
Energy: 1.1005231260371606
Energy: 1.071404515845167
Energy: 1.1752810606600075
Energy: 1.169995590423813
Energy: 1.1439973707079458
Energy: 1.169995590423813
Energy: 1.1699705127760285
Energy: 1.2536037298172147
Energy: 1.1407437285005013
Energy: 1.253603729815896
Energy: 1.0687946272240976
Energy: 1.1497741934257943
Energy: 1.1525657958202307
Energy: 1.149774193427113
Energy: 1.139610669398356
Energy: 1.1392730679290763
Energy: 1.1466696892104162
Energy: 1.1392730679264387
Energy: 1.1398719422193528
Energy: 1.2500038694360758
Energy: 1.2891872302780771
Energy: 1.2500038694360758
Energy: 1.1367359146034888
Energy: 1.2569107438283893
Energy: 1.1469651857615084
Energy: 1.256910743829708
Energy: 1.1140657106525491
Energy: 1.11415655944192
Energy: 1.1001853263745232
Energy: 1.1141565594392826
Energy: 1.1142531213793665
Energy: 1.1322071842746795
Energy: 1.1009002909466106
Energy: 1.1322071842733608
Energy: 1.0861856532161134
Energy: 1.1454040075122758
Energy: 1.171012469819383
Energy: 1.145404007514913

minimum gb energy = 1.052441445727674 eV
minimum distance =  2.15816672990936 Angstroms
sigma value = 25


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

Energy: 1.1697948869783052
Energy: 1.052042521827771
Energy: 1.139579002037187
Energy: 1.137795328740789
Energy: 1.1246028246320676
Energy: 1.1560254239978371
Energy: 1.0882228999272425
Energy: 1.1560254239962062
Energy: 1.1409479824221131
Energy: 1.134621647126842
Energy: 1.1032899522887025
Energy: 1.134621647126842
Energy: 1.1322393003325293
Energy: 1.1577059893759232
Energy: 1.0882754417180378
Energy: 1.157705989377554
Energy: 1.0998253565016223
Energy: 1.1150579387351256
Energy: 1.0873292746760017
Energy: 1.115057938740018
Energy: 1.0416539136151786
Energy: 1.0872441612332662
Energy: 1.0872150028411334
Energy: 1.0872441612332662
Energy: 1.177471352109026
Energy: 1.113867465592121
Energy: 1.114906745810364
Energy: 1.1138674658170555
Energy: 1.030079263753137
Energy: 1.1576805043574485
Energy: 1.0890767987051648
Energy: 1.1576805043558178
Energy: 1.1351879741352617
Energy: 1.1326985996862935
Energy: 1.2034926136070867
Energy: 1.1326985996862935
Energy: 1.13400127347072
Energy: 1.1587297618062362
Energy: 1.1255918398076838
Energy: 1.1587297618046053
Energy: 1.1007948012896247
Energy: 1.1344681808330424
Energy: 1.1288750991092142
Energy: 1.1344681808330424
Energy: 1.1031973931209713
Energy: 1.1572657724814823
Energy: 1.133467911004669
Energy: 1.1572657724814823
Energy: 1.08933618725286
Energy: 1.1139631193792898
Energy: 1.099839883016386
Energy: 1.113963119377659
Energy: 1.087327757308497
Energy: 1.1110610226355777
Energy: 1.0433273053889596
Energy: 1.111061022633947
Energy: 1.114122742162945
Energy: 1.1142769388226546
Energy: 1.03056670624273
Energy: 1.1142769388210236
Energy: 1.0865126833761334
Energy: 1.2134724154574084
Energy: 1.0303712575381898
Energy: 1.2134724154541472
Energy: 1.2035326164864493
Energy: 1.0429485709174748
Energy: 1.1330762584546914
Energy: 1.0429485709174748

minimum gb energy = 1.030079263753137 eV
minimum distance =  2.23283119594917 Angstroms
sigma value = 17


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

Energy: 1.642617837383827
Energy: 1.1431285952216321
Energy: 1.2130969808404064
Energy: 1.2092822361513385
Energy: 1.1290171151981478
Energy: 1.1597990256286326
Energy: 1.2089154662389652
Energy: 1.159799025625862
Energy: 1.105054771768433
Energy: 1.1078336751164368
Energy: 1.1907631084631713
Energy: 1.1078336751173605
Energy: 1.1056438032473557
Energy: 1.2300459726908228
Energy: 1.1571208779591686
Energy: 1.2300459726917465
Energy: 1.1032228963282786
Energy: 1.2385471505696204
Energy: 1.1491252796540175
Energy: 1.238547150570544
Energy: 1.1128187632176194
Energy: 1.2521905643887827
Energy: 1.1038575064615541
Energy: 1.252190564386012
Energy: 1.114309963531878
Energy: 1.1061039926132246
Energy: 1.1069254859418869
Energy: 1.1061039926132246
Energy: 1.2678612513626335
Energy: 1.1569181290684778
Energy: 1.106803175106224
Energy: 1.1569181290684778
Energy: 1.2142371586847334
Energy: 1.2078477315829914
Energy: 1.1769931506256182
Energy: 1.2078477315839151
Energy: 1.209873778938747
Energy: 1.245004638918505
Energy: 1.2298634465390479
Energy: 1.245004638915734
Energy: 1.2471600947837918
Energy: 1.1177770609768483
Energy: 1.1075619435334074
Energy: 1.1177770609768483
Energy: 1.191249159138613
Energy: 1.1154798993287243
Energy: 1.1183217144209312
Energy: 1.1154798993296478
Energy: 1.1262941281388192
Energy: 1.1139984743272195
Energy: 1.1132814454505002
Energy: 1.1139984743244489
Energy: 1.123936815539873
Energy: 1.1557465296637726
Energy: 1.1087716427484835
Energy: 1.1557465296637726
Energy: 1.2076211304628837
Energy: 1.2387432206407174
Energy: 1.2474092930646066
Energy: 1.2387432206407174
Energy: 1.215254626042641
Energy: 1.2058822770586597
Energy: 1.247815989937594
Energy: 1.2058822770586597
Energy: 1.190351065770868
Energy: 1.1057753671578852
Energy: 1.1078882062148576
Energy: 1.1057753671578852
Energy: 1.190266175617776
Energy: 1.1068606112296304
Energy: 1.1031150961181921
Energy: 1.1068606112277832
Energy: 1.1028503224625743
Energy: 1.2719843039390697
Energy: 1.1051194641144242
Energy: 1.2719843039390697
Energy: 1.1481049225598075
Energy: 1.23852219877909
Energy: 1.1049600631627978
Energy: 1.238522198778166
Energy: 1.1032036361071926
Energy: 1.159339602645617
Energy: 1.2326861794552635
Energy: 1.1593396026446934
Energy: 1.1056118642776456
Energy: 1.1078236491780322
Energy: 1.3494559058788644
Energy: 1.1078236491789557
Energy: 1.1719997416677377
Energy: 1.2400912097768944
Energy: 1.21017353017645
Energy: 1.2400912097759709
Energy: 1.1760914926601975
Energy: 1.2098069926074464
Energy: 1.2055209848626183
Energy: 1.2098069926065227
Energy: 1.1126314971336166
Energy: 1.1582302023330335
Energy: 1.207948601883185
Energy: 1.1582302023348807
Energy: 1.1188350762316392
Energy: 1.115472294725887
Energy: 1.095121767252574
Energy: 1.115472294725887
Energy: 1.109171072798121
Energy: 1.1104966464140007
Energy: 1.138363152667411
Energy: 1.1104966464149242
Energy: 1.1208791181890478
Energy: 1.116138227573133
Energy: 1.1252922722424878
Energy: 1.1161382275703622
Energy: 1.1119478065673503
Energy: 1.1586751137913187
Energy: 1.1255015718010293
Energy: 1.158675113790395
Energy: 1.2484707981669274
Energy: 1.206537866252398
Energy: 1.2084819515280805
Energy: 1.2065378662514743

minimum gb energy = 1.095121767252574 eV
minimum distance =  2.17816771842159 Angstroms
sigma value = 53


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

Energy: 1.479532606173242
Energy: 0.9783405302441822
Energy: 1.1420718064681323
Energy: 1.1391849131858933
Energy: 1.251875120557316
Energy: 1.0719902378704107
Energy: 1.1370592581884138
Energy: 1.071990237866158
Energy: 1.136434532977988
Energy: 1.1367093841778015
Energy: 1.205969779570909
Energy: 1.1367093841778015
Energy: 1.1294193345053678
Energy: 1.071240820834936
Energy: 1.133309438049666
Energy: 1.071240820851946
Energy: 1.1329184263891523
Energy: 1.0721800779545814
Energy: 0.9736606305133305
Energy: 1.07218007796096
Energy: 1.1355843301804533
Energy: 1.074454835740077
Energy: 0.9767356568047981
Energy: 1.0744548357379506
Energy: 1.2604406418210157
Energy: 1.132751616560347
Energy: 1.1336126547934209
Energy: 1.132751616560347
Energy: 1.2542441428256768
Energy: 1.0718651920319417
Energy: 1.1295241304125772
Energy: 1.0718651920319417
Energy: 1.1343982680532778
Energy: 1.1313463994955746
Energy: 1.0914962939615438
Energy: 1.131346399491322
Energy: 1.137265317028754
Energy: 1.0732072168887024
Energy: 1.1411126964235687
Energy: 1.073207216892955
Energy: 1.2350866095279205
Energy: 1.075662880568548
Energy: 0.9786037243517234
Energy: 1.075662880568548
Energy: 1.1336097838374077
Energy: 1.0711390335508737
Energy: 0.9671662550359834
Energy: 1.0711390335530002
Energy: 1.2550589125711653
Energy: 1.0736943860698192
Energy: 1.1376248293816003
Energy: 1.0736943860698192

minimum gb energy = 0.9671662550359834 eV
minimum distance =  2.22863548875867 Angstroms
sigma value = 9


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

Energy: 1.4721733845804759
Energy: 1.206456527984596
Energy: 1.2768359009188817
Energy: 1.2669684854558902
Energy: 1.1029659670304979
Energy: 1.1150732250364157
Energy: 1.2629013657130008
Energy: 1.1150732250332678
Energy: 1.117978824219956
Energy: 1.1188225740705997
Energy: 1.3710524809477012
Energy: 1.118822574068239
Energy: 1.1219551636082217
Energy: 1.1197070707619283
Energy: 1.2624123070754283
Energy: 1.1197070707619283
Energy: 1.1135884031219956
Energy: 1.1134699096912932
Energy: 1.3284660539310984
Energy: 1.1134699096897192
Energy: 1.129929129868289
Energy: 1.1915794041031411
Energy: 1.3279322913186755
Energy: 1.1915794040968455
Energy: 1.2665671501639577
Energy: 1.2619255991063145
Energy: 1.2802175908245266
Energy: 1.2619255991102494
Energy: 1.2649105629216637
Energy: 1.326025113346037
Energy: 1.2594606626329292
Energy: 1.3260251133483978
Energy: 1.1549009044846166
Energy: 1.27001377699671
Energy: 1.1908519764046985
Energy: 1.2700137769974968
Energy: 1.1185823973252824
Energy: 1.1962507112527552
Energy: 1.2601365392015775
Energy: 1.196250711255116
Energy: 1.1413406042549705
Energy: 1.1848570566165673
Energy: 1.1924611508579899
Energy: 1.1848570566173542
Energy: 1.1449962410073955
Energy: 1.2285012813082123
Energy: 1.314408010842649
Energy: 1.2285012813074254
Energy: 1.268323479493199
Energy: 1.1884518697889426
Energy: 1.1421348224252432
Energy: 1.1884518697913031
Energy: 1.273805174218168
Energy: 1.1434747837698025
Energy: 1.1464935877487952
Energy: 1.1434747837674417
Energy: 1.2586559396305372
Energy: 1.1912128741144905
Energy: 1.1727755999317042
Energy: 1.1912128741144905
Energy: 1.2654721641785713
Energy: 1.2018957285822394
Energy: 1.1585118671786647
Energy: 1.2018957285830265
Energy: 1.2551844683642734
Energy: 1.1159675750005562
Energy: 1.142357583779525
Energy: 1.1159675750013431
Energy: 1.2709641304544697
Energy: 1.2627951672112416
Energy: 1.4710972682611803
Energy: 1.2627951672143893
Energy: 1.2845781828979232
Energy: 1.114986029037401
Energy: 1.110185950638424
Energy: 1.114986029036614
Energy: 1.3730942443942886
Energy: 1.1158869324849616
Energy: 1.1184262872819977
Energy: 1.1158869324865357
Energy: 1.2831916516190902
Energy: 1.1209769275598829
Energy: 1.1207306317536672
Energy: 1.120976927559096
Energy: 1.3277824335280062
Energy: 1.113226460622813
Energy: 1.113273019069357
Energy: 1.1132264606220261
Energy: 1.3271606190691498
Energy: 1.1903148328317177
Energy: 1.1250540027551599
Energy: 1.1903148328332918
Energy: 1.2824817974126428
Energy: 1.261524841987162
Energy: 1.266736021597478
Energy: 1.261524841984801
Energy: 1.2581084524203774
Energy: 1.2596112539865365
Energy: 1.2667844785181848
Energy: 1.2596112539873234
Energy: 1.1887759416010697
Energy: 1.1831178190570253
Energy: 1.1505224855631058
Energy: 1.1831178190782734
Energy: 1.2605983490421149
Energy: 1.1961198306037282
Energy: 1.1185029735850318
Energy: 1.1961198306092369
Energy: 1.1773639405027707
Energy: 1.1833623144680039
Energy: 1.1443485608418111
Energy: 1.1833623144672167
Energy: 1.4714419154785698
Energy: 1.1648403227385826
Energy: 1.1446271116056994
Energy: 1.1648403227393698
Energy: 1.1426292245085434
Energy: 1.183597994663378
Energy: 1.2568238593029846
Energy: 1.1835979946665258
Energy: 1.1477891257209307
Energy: 1.1436440934942693
Energy: 1.242041724481534
Energy: 1.1436440934895473
Energy: 1.1676297354359222
Energy: 1.187674395692115
Energy: 1.2620984245212832
Energy: 1.187674395688967
Energy: 1.1611382388360145
Energy: 1.2584652765106545
Energy: 1.2588376803623884
Energy: 1.2584652765130155
Energy: 1.1412100095376136
Energy: 1.1155257343158749
Energy: 1.1759168675850828
Energy: 1.115525734317449
Energy: 1.3113431888259657
Energy: 1.263334830046363
Energy: 1.264256959641984
Energy: 1.263334830046363

minimum gb energy = 1.1029659670304979 eV
minimum distance =  2.1847554254898 Angstroms
sigma value = 73


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

Energy: 1.5192270361909017
Energy: 1.1869139111621099
Energy: 1.2642148952788246
Energy: 1.259001298450954
Energy: 1.1100372215805392
Energy: 1.2128251905020502
Energy: 1.2418049847605914
Energy: 1.212825190497056
Energy: 1.1569135401524866
Energy: 1.153086462944743
Energy: 1.3322723963634
Energy: 1.1530864629509856
Energy: 1.1613271238417289
Energy: 1.158902614706938
Energy: 1.3556757171916205
Energy: 1.158902614709435
Energy: 1.1555137035524068
Energy: 1.1579443346746998
Energy: 1.3387848179602522
Energy: 1.1579443346759484
Energy: 1.1897492069551452
Energy: 1.2910786487348602
Energy: 1.3381141816023492
Energy: 1.2910786487336114
Energy: 1.157121601552974
Energy: 1.3401753397356824
Energy: 1.2625986254235881
Energy: 1.3401753397419252
Energy: 1.1588301355944335
Energy: 1.2672004460582118
Energy: 1.263395636418498
Energy: 1.2672004460644548
Energy: 1.1721600907790657
Energy: 1.1095339793052994
Energy: 1.3353197183218146
Energy: 1.1095339793077965
Energy: 1.1930507841675202
Energy: 1.2841110644801508
Energy: 1.2625701271861542
Energy: 1.2841110644813993
Energy: 1.1720252392911852
Energy: 1.2378189971628295
Energy: 1.0951627250749214
Energy: 1.2378189971590838
Energy: 1.179540417750712
Energy: 1.0934270616582025
Energy: 1.2898825324171745
Energy: 1.093427061656954
Energy: 1.2486707317648544
Energy: 1.236581640922516
Energy: 1.1729561349675008
Energy: 1.2365816409237644
Energy: 1.2469836071406324
Energy: 1.1731746654133122
Energy: 1.1750565666563688
Energy: 1.1731746654145607
Energy: 1.281654425123759
Energy: 1.2334206363029216
Energy: 1.1733213767098274
Energy: 1.2334206363041702
Energy: 1.2720676481556683
Energy: 1.1623832354893713
Energy: 1.16751276150503
Energy: 1.1623832354918682
Energy: 1.2735251643144267
Energy: 1.175341591216521
Energy: 1.167226386400071
Energy: 1.1753415912277583
Energy: 1.2730391911733039
Energy: 1.2705709052573824
Energy: 1.1570467416085943
Energy: 1.2705709052586311
Energy: 1.2601328047638947
Energy: 1.2669513028604753
Energy: 1.158199558517484
Energy: 1.266951302864221
Energy: 1.3121731024655294
Energy: 1.2685660782035293
Energy: 1.2479247730390468
Energy: 1.2685660782035293
Energy: 1.2589345771058946
Energy: 1.3151906320896067
Energy: 1.147975707770219
Energy: 1.315190632085861
Energy: 1.25592377048854
Energy: 1.2428478055220968
Energy: 1.2432703667486185
Energy: 1.2428478055270913

minimum gb energy = 1.093427061656954 eV
minimum distance =  2.15157942394258 Angstroms
sigma value = 7


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

Energy: 1.808978381911302
Energy: 1.229821169262015
Energy: 1.2873967567689137
Energy: 1.278778541047223
Energy: 1.1214282406013234
Energy: 1.195800759929238
Energy: 1.2946117566955895
Energy: 1.1958007599177605
Energy: 1.161638055667061
Energy: 1.1570774228703269
Energy: 1.3260246607858592
Energy: 1.1570774228685612
Energy: 1.156162560490192
Energy: 1.1577803448172357
Energy: 1.3901807901752428
Energy: 1.1577803448207673
Energy: 1.154309123443568
Energy: 1.1491619222684035
Energy: 1.3422150689407923
Energy: 1.1491619222675207
Energy: 1.1541977870856766
Energy: 1.1523689558588996
Energy: 1.3422823367247996
Energy: 1.152368955855368
Energy: 1.1980799380507945
Energy: 1.2163440743346674
Energy: 1.1524709313114183
Energy: 1.2163440743240728
Energy: 1.19488199024726
Energy: 1.1565535843968213
Energy: 1.155274962378999
Energy: 1.1565535843897583
Energy: 1.313076739604792
Energy: 1.1646083166161671
Energy: 1.161853076948193
Energy: 1.1646083166214642
Energy: 1.4689256116323204
Energy: 1.1597193361146905
Energy: 1.1640231195716595
Energy: 1.159719336119105
Energy: 1.3401701354177604
Energy: 1.274463800349165
Energy: 1.1231349974718847
Energy: 1.2744638003385704
Energy: 1.266304860148744
Energy: 1.265573500088449
Energy: 1.1957435056164578
Energy: 1.2655735000866835
Energy: 1.279824012775091
Energy: 1.3917014842409416
Energy: 1.1681109243342451
Energy: 1.3917014842338784
Energy: 1.267211637552506
Energy: 1.2916052231536101
Energy: 1.2175158287069947
Energy: 1.2916052231438984
Energy: 1.1053882360953016
Energy: 1.108853164415023
Energy: 1.2071375662133155
Energy: 1.1088531644203201
Energy: 1.152345570370032
Energy: 1.1478735052925393
Energy: 1.2157272731484998
Energy: 1.1478735052934224
Energy: 1.1411890801492088
Energy: 1.105360158838433
Energy: 1.234819307846461
Energy: 1.1053601588375501
Energy: 1.1610122028789749
Energy: 1.1677448384803608
Energy: 1.3275087663304983
Energy: 1.1677448384900724
Energy: 1.1758614895599246
Energy: 1.1725098840863026
Energy: 1.2276087143541297
Energy: 1.1725098840871855
Energy: 1.160679695302741
Energy: 1.163921495078571
Energy: 1.1412330686735443
Energy: 1.163921495076805
Energy: 1.1686009632338359
Energy: 1.3364272660809284
Energy: 1.3419935119549842
Energy: 1.3364272660809284
Energy: 1.1949055985976587
Energy: 1.205197967050876
Energy: 1.1504984941368894
Energy: 1.2051979670570563
Energy: 1.193759001368184
Energy: 1.1553213235320656
Energy: 1.1611292404728994
Energy: 1.1553213235417772
Energy: 1.3636983492135262
Energy: 1.1651757660068438
Energy: 1.1622897887726036
Energy: 1.165175766005961
Energy: 1.4661214861040162
Energy: 1.1649478656414698
Energy: 1.1661528750298167
Energy: 1.1649478656273435
Energy: 1.3583909155215828
Energy: 1.38016775458927
Energy: 1.1678306350440197
Energy: 1.3801677545866213
Energy: 1.2923318786979967
Energy: 1.2853316605230254
Energy: 1.6283846798454709
Energy: 1.28533166053362
Energy: 1.2613529915581319
Energy: 1.384872813355028
Energy: 1.1677850650072867
Energy: 1.3848728133585595
Energy: 1.2962295249772477
Energy: 1.2706865957407079
Energy: 1.2630223263305385
Energy: 1.2706865957424738
Energy: 1.258631970049402
Energy: 1.2618555373066456
Energy: 1.2179048389042113
Energy: 1.2618555373137086
Energy: 1.14184098380338
Energy: 1.2445016617659854
Energy: 1.2558923191662053
Energy: 1.2445016617730484

minimum gb energy = 1.1053601588375501 eV
minimum distance =  2.14760639991163 Angstroms
sigma value = 29


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

Energy: 1.070382577552432
Energy: 1.0724036418924496
Energy: 1.1831989474582676
Energy: 1.2949005250644892
Energy: 1.0514278189222799
Energy: 1.187975497093968
Energy: 1.0916499963238395
Energy: 1.1879754970933873
Energy: 1.0791420503252882
Energy: 1.1814067565842685
Energy: 1.05812754453604
Energy: 1.18140675658215
Energy: 1.0554745054297303
Energy: 1.0831111455298919
Energy: 1.0914214539640714
Energy: 1.0831111455301996
Energy: 1.0840621804894044
Energy: 1.0773209120980571
Energy: 1.0526186386854535
Energy: 1.0773209121004832
Energy: 1.093660506863254
Energy: 1.1850273228197807
Energy: 1.0525374842829869
Energy: 1.1850273228197807
Energy: 1.051355143361025
Energy: 1.1790842641822519
Energy: 1.0810925955570574
Energy: 1.179084264167217
Energy: 1.0918495108138933
Energy: 1.0881071936910947
Energy: 1.0570854272098504
Energy: 1.0881071936910947
Energy: 1.0513183197888694
Energy: 1.078818916842594
Energy: 1.0775276307844268
Energy: 1.0788189168416715

minimum gb energy = 1.0513183197888694 eV
minimum distance =  2.20914103863016 Angstroms
sigma value = 5


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

Energy: 1.5543703165272669
Energy: 1.1431049404908906
Energy: 1.2671867525457008
Energy: 1.1216022285045018
Energy: 1.1369511457108306
Energy: 1.1150125450876163
Energy: 1.2847169045804578
Energy: 1.1150125450917863
Energy: 1.2867199953298996
Energy: 1.2530368269553411
Energy: 1.317319846354185
Energy: 1.253036826964515
Energy: 1.2330186416070958
Energy: 1.1136439738911708
Energy: 1.2792322832210588
Energy: 1.1136439738936728
Energy: 1.28115034653253
Energy: 1.1225573488931722
Energy: 1.2359748534241157
Energy: 1.1225573488948402
Energy: 1.1251698436296618
Energy: 1.123916966933289
Energy: 1.2356203307101454
Energy: 1.1239169669257831
Energy: 1.113119663315294
Energy: 1.114747118900126
Energy: 1.282613196955488
Energy: 1.114747118895956
Energy: 1.1280347055804838
Energy: 1.122479207422875
Energy: 1.3295801028698133
Energy: 1.122479207416203
Energy: 1.1364436290116298
Energy: 1.2187700422329455
Energy: 1.32810872363547
Energy: 1.2187700422379497
Energy: 1.3900377080464164
Energy: 1.07720545745442
Energy: 1.0730634122735023
Energy: 1.0772054574510843
Energy: 1.1370561811711728
Energy: 1.0671956128704365
Energy: 1.0711288154063419
Energy: 1.0671956128721045
Energy: 1.335789513350028
Energy: 1.0765800241537653
Energy: 1.0842515123532486
Energy: 1.0765800241470935
Energy: 1.367701304834718
Energy: 1.0778794906804832
Energy: 1.1247186413998673
Energy: 1.0778794906796492
Energy: 1.306293235100426
Energy: 1.0488334593883515
Energy: 1.3784220082984828
Energy: 1.0488334593866835
Energy: 1.1592008472037936
Energy: 1.047192671155731
Energy: 1.3685911613882749
Energy: 1.0471926711473911
Energy: 1.1450933504639613
Energy: 1.039699138476073
Energy: 1.052707794573646
Energy: 1.039699138476073
Energy: 1.1397403209876118
Energy: 1.1351647381691257
Energy: 1.1572216236892958
Energy: 1.1351647381674577
Energy: 1.293606661629248
Energy: 1.0416205051893772
Energy: 1.046590263559683
Energy: 1.0416205051852074
Energy: 1.37225806322415
Energy: 1.1885361971640467
Energy: 1.1776737792464211
Energy: 1.1885361971789825
Energy: 1.2853501482443446
Energy: 1.309574132737644
Energy: 1.2323506579463257
Energy: 1.3095741327334742
Energy: 1.2366250239455263
Energy: 1.134253832865061
Energy: 1.1680847366024592
Energy: 1.134253832864227
Energy: 1.2348578576522253
Energy: 1.1316688208425651
Energy: 1.128775552290695
Energy: 1.131668820851739
Energy: 1.3367191965648848
Energy: 1.1249339811370647
Energy: 1.1248185371421076
Energy: 1.1249339811412347
Energy: 1.37733222682553
Energy: 1.1328190031038268
Energy: 1.1465296371992022
Energy: 1.1328190031145928
Energy: 1.3414759675592265
Energy: 1.2184043258234118
Energy: 1.1202067056902127
Energy: 1.218404325815072
Energy: 1.077528475082562
Energy: 1.0703707458564242
Energy: 1.390325999413967
Energy: 1.0703707458405787
Energy: 1.0670025707096848
Energy: 1.0581658448944935
Energy: 1.1245561253549634
Energy: 1.0581658448986635
Energy: 1.070143609268788
Energy: 1.061873958167295
Energy: 1.1446734829587273
Energy: 1.061873958168963
Energy: 1.0712837042976813
Energy: 1.2824363477830851
Energy: 1.340119445725211
Energy: 1.2824363477839194
Energy: 1.3725609972274337
Energy: 1.1516278151968766
Energy: 1.298582470387613
Energy: 1.1516278152002126
Energy: 1.374062129996987
Energy: 1.1208795468264532
Energy: 1.1136129231738061
Energy: 1.1208795468222832
Energy: 1.1700260145610297
Energy: 1.1130227348532267
Energy: 1.114706589777212
Energy: 1.113022734845721
Energy: 1.2200566964539183
Energy: 1.1212423356059675
Energy: 1.1193320844599732
Energy: 1.1212423356068013

minimum gb energy = 1.039699138476073 eV
minimum distance =  2.17042623334948 Angstroms
sigma value = 1


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

Energy: 1.5395201986603753
Energy: 1.0059417765123138
Energy: 1.0533507024847113
Energy: 1.0525173034294355
Energy: 1.1144560404766017
Energy: 1.0441778249073763
Energy: 1.074721853647215
Energy: 1.0441778249096825
Energy: 1.0742824996629292
Energy: 1.2115191216398504
Energy: 1.1060364894656116
Energy: 1.2115191216410037
Energy: 1.0935821302132067
Energy: 1.0443287448950167
Energy: 1.1052049769219139
Energy: 1.0443287448904044
Energy: 1.1059423660359564
Energy: 1.0535371424066575
Energy: 1.089795088784353
Energy: 1.0535371424101168
Energy: 1.053348695460576
Energy: 1.0543263874805742
Energy: 1.0896971154914925
Energy: 1.0543263874794209
Energy: 1.0382417012147103
Energy: 1.0381387178384776
Energy: 1.104934469708945
Energy: 1.0381387178350183
Energy: 1.046142327286698
Energy: 1.0420109467434935
Energy: 0.9728341739555169
Energy: 1.0420109467423402
Energy: 1.1062805652655734
Energy: 1.103156157336228
Energy: 0.974318399920074
Energy: 1.1031561573385342
Energy: 1.090630267704504
Energy: 1.0420604558382334
Energy: 1.0529055146688215
Energy: 1.0420604558336206
Energy: 1.1058972663553366
Energy: 1.0398973737785588
Energy: 1.0393183235098418
Energy: 1.0398973737750992
Energy: 0.9650200660925917
Energy: 1.0549470644170384
Energy: 1.0556966091045428
Energy: 1.0549470644158854
Energy: 0.9703399840959862
Energy: 1.0546672972374211
Energy: 1.1059676910638998
Energy: 1.0546672972351148
Energy: 1.1762550640105498
Energy: 1.041272525757325
Energy: 1.1061418757643104
Energy: 1.041272525765397
Energy: 1.099169519009173
Energy: 1.2096360361585266
Energy: 1.1058022281555366
Energy: 1.209636036160833
Energy: 1.1067268338298881
Energy: 1.041891885890008
Energy: 1.0517712388745633
Energy: 1.041891885884242
Energy: 1.0712116694563014
Energy: 1.0546957692236845
Energy: 1.0888881576255944
Energy: 1.0546957692202779
Energy: 1.0644624229586195
Energy: 1.0442221863901515
Energy: 1.08790021823006
Energy: 1.0442221863878454
Energy: 1.0504973652992606
Energy: 1.041119410168852
Energy: 0.9762561023268662
Energy: 1.0411194101723111
Energy: 1.0566935441656795
Energy: 1.0695046579243797
Energy: 0.9784901178469367
Energy: 1.0695046579255327
Energy: 1.0900577717726312
Energy: 1.1081592797205668
Energy: 1.106718407858507
Energy: 1.10815927972172
Energy: 1.295132559033102
Energy: 1.0406933388094493
Energy: 1.0432083097413283
Energy: 1.0406933388094493
Energy: 1.055446492351935
Energy: 1.039371776575147
Energy: 1.0410640360770016
Energy: 1.0393717765636157
Energy: 0.9672201190740976
Energy: 1.052783147847122
Energy: 1.056317908562657
Energy: 1.0527831478459688

minimum gb energy = 0.9650200660925917 eV
minimum distance =  2.18716382420487 Angstroms
sigma value = 17


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

Energy: 1.6409698663686825
Energy: 1.074340221741671
Energy: 1.2272992986300653
Energy: 1.0582393929972302
Energy: 1.1229141362690962
Energy: 1.0438574552467226
Energy: 1.2191826437346633
Energy: 1.0438574552502862
Energy: 1.3227128909658274
Energy: 1.255909874135851
Energy: 1.21061174904793
Energy: 1.2559098741394146
Energy: 1.3349542999079969
Energy: 1.372419077625127
Energy: 1.1575009738419864
Energy: 1.372419077625127
Energy: 1.2024381779501956
Energy: 1.0099768916397192
Energy: 1.181191806593836
Energy: 1.0099768916411447
Energy: 1.0167487468502363
Energy: 1.0073439967664553
Energy: 1.1844263882268369
Energy: 1.007343996767168
Energy: 1.003470648566356
Energy: 1.0015584347695485
Energy: 1.2559464996144754
Energy: 1.0015584347688358
Energy: 1.011342517352171
Energy: 1.0132895759244591
Energy: 0.9939124082607238
Energy: 1.0132895759208955
Energy: 1.1903884606176773
Energy: 1.002494474666938
Energy: 1.3178473563935447
Energy: 1.0024944746676507
Energy: 1.20533066445476
Energy: 1.1259387806577248
Energy: 1.2190493336936947
Energy: 1.1259387806577248
Energy: 1.1905940606470113
Energy: 1.223649482319321
Energy: 1.074642829017994
Energy: 1.2236494823228847
Energy: 1.1995989492773906
Energy: 1.0600039657016462
Energy: 1.221105375702194
Energy: 1.0600039657002207
Energy: 1.1812015441649493
Energy: 1.0686224925697836
Energy: 1.0653170815163275
Energy: 1.0686224925704961
Energy: 1.0643443352900486
Energy: 1.0417918800437471
Energy: 1.045481113228137
Energy: 1.0417918800444599
Energy: 1.325904638900595
Energy: 1.0416107644949701
Energy: 1.0556003603384996
Energy: 1.041610764495683
Energy: 1.0327194395551755
Energy: 1.0824977475134774
Energy: 1.068402490778478
Energy: 1.0824977475170408
Energy: 1.0403251032017429
Energy: 1.1808255450336778
Energy: 1.486002480310356
Energy: 1.1808255450336778
Energy: 1.0461946753770706
Energy: 1.041663358130278
Energy: 1.189742692094838
Energy: 1.0416633581288528
Energy: 1.0730955738061538
Energy: 1.0473807865719824
Energy: 1.3142636488662869
Energy: 1.0473807865698443
Energy: 1.1325522800350754
Energy: 1.11935966365987
Energy: 0.9924566600661122
Energy: 1.1193596636570189
Energy: 1.216592563420168
Energy: 1.0421884766239475
Energy: 1.041009979406532
Energy: 1.0421884766260856
Energy: 1.2129886336167905
Energy: 1.2581459811221283
Energy: 1.3299063653605576
Energy: 1.25814598111999
Energy: 1.1514006639346963
Energy: 1.1181439903062973
Energy: 1.3306207413884725
Energy: 1.1181439903077226
Energy: 1.184962001468364
Energy: 1.010028773720527
Energy: 1.1989106537472631
Energy: 1.0100287737183886
Energy: 1.1981346843236265
Energy: 1.0055458609602075
Energy: 1.0105454333673543
Energy: 1.0055458609587822
Energy: 1.2514511776470691
Energy: 1.0022225949901717
Energy: 1.008557131488994
Energy: 1.0022225949908843
Energy: 1.6397297814340035
Energy: 1.0140825272655773
Energy: 1.011244960866681
Energy: 1.0140825272648646
Energy: 1.3198132184047544
Energy: 1.0014333588331128
Energy: 1.1924189508429937
Energy: 1.0014333588345383
Energy: 1.2183339814728078
Energy: 1.2743662284147683
Energy: 1.2052308734631838
Energy: 1.2743662284169066
Energy: 1.0768421857918573
Energy: 1.2236783234940258
Energy: 1.1910727136861192
Energy: 1.223678323496164
Energy: 1.2264053044522831
Energy: 1.0652905046077832
Energy: 1.19442635710298
Energy: 1.0652905046084962
Energy: 1.0666509642295507
Energy: 1.0661393566534008
Energy: 1.1972422123297624
Energy: 1.0661393566534008
Energy: 1.041874170107221
Energy: 1.0406919883826415
Energy: 1.0651525587025499
Energy: 1.0406919883847146
Energy: 1.0642052788298135
Energy: 1.043201281339314
Energy: 1.3289804225157151
Energy: 1.0432012813386013
Energy: 1.2030482683783397
Energy: 1.0792609336772634
Energy: 1.0339986049660639
Energy: 1.0792609336779762
Energy: 1.4915875945849384
Energy: 1.0457834239225188
Energy: 1.0419620601111859
Energy: 1.045783423919668
Energy: 1.1907278684358698
Energy: 1.0405880463709045
Energy: 1.0432505285237244
Energy: 1.0405880463716173
Energy: 1.315924844907794
Energy: 1.0569425542045974
Energy: 1.0690173657073332
Energy: 1.0569425542024593

minimum gb energy = 0.9924566600661122 eV
minimum distance =  2.17811989180358 Angstroms
sigma value = 89


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

Energy: 1.7208431107366353
Energy: 1.0328648779319765
Energy: 0.9540470858482197
Energy: 0.951764936746815
Energy: 0.9213884666316634
Energy: 1.0833538519341057
Energy: 1.0062690135939907
Energy: 1.0833538519341057
Energy: 0.9204780979174709
Energy: 1.0801857399114805
Energy: 1.0051122143483553
Energy: 1.0801857399114805
Energy: 0.9260093826525586
Energy: 1.0810776019379296
Energy: 1.0960136925502098
Energy: 1.0810776019379296
Energy: 1.096052093810079
Energy: 0.9533168241350256
Energy: 0.9832947349693145
Energy: 0.9533168241331607
Energy: 0.9438894925557147
Energy: 0.9556250095090242
Energy: 0.9834956620932691
Energy: 0.9556250095052946
Energy: 0.9501977172958971
Energy: 0.9417238045043935
Energy: 1.0972299299850559
Energy: 0.9417238045043935
Energy: 0.9529371231015739
Energy: 0.9484516287528536
Energy: 0.9216727542829478
Energy: 0.9484516287565833
Energy: 1.0057486663021409
Energy: 0.9481325094606471
Energy: 0.9233279885384033
Energy: 0.9481325094606471
Energy: 1.004879116908798
Energy: 1.080788245374323
Energy: 1.0051298377147333
Energy: 1.080788245374323
Energy: 1.0050506543976778
Energy: 1.0815157687538552
Energy: 0.9203994090996371
Energy: 1.0815157687557202
Energy: 0.9829331885208435
Energy: 0.9497305884704353
Energy: 1.0056421880738509
Energy: 0.9497305884704353
Energy: 1.0779953024169462
Energy: 0.9541534101082271
Energy: 0.9468986423552944
Energy: 0.9541534101063622
Energy: 1.096817231570832
Energy: 0.9431889453096677
Energy: 0.9467109791251336
Energy: 0.9431889453096677
Energy: 0.9202723467373956
Energy: 0.9436930410721828
Energy: 0.9536887339978048
Energy: 0.9436930410740476

minimum gb energy = 0.9202723467373956 eV
minimum distance =  2.20209588205727 Angstroms
sigma value = 13


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

Energy: 1.5165566876232752
Energy: 0.9851676846081704
Energy: 1.1684488059241769
Energy: 0.9513622988373128
Energy: 1.0049905791511937
Energy: 0.9462844297154654
Energy: 1.103310345195875
Energy: 0.946284429714684
Energy: 1.4674028613735297
Energy: 0.9447543701503694
Energy: 1.0952005275351997
Energy: 0.9447543701456796
Energy: 1.197828916721615
Energy: 1.1070319056145006
Energy: 1.1264146858993103
Energy: 1.1070319056316253
Energy: 1.1198243382691286
Energy: 1.062230403083443
Energy: 1.3595375205123001
Energy: 1.062230403077972
Energy: 1.1006562166447704
Energy: 0.9459959808160289
Energy: 1.3591627893325078
Energy: 0.9459959808199369
Energy: 1.091438835436787
Energy: 0.9449054163417673
Energy: 1.1664706790245007
Energy: 0.9449054163378592
Energy: 1.1272568716889935
Energy: 0.9626371541904083
Energy: 1.0980852059919293
Energy: 0.9626371541794654
Energy: 0.9440043804638786
Energy: 0.9442671073290196
Energy: 1.1000661022530553
Energy: 0.9442671073329276
Energy: 0.9475495955162606
Energy: 0.9457252785462605
Energy: 1.1182260174188088
Energy: 0.9457252785431339
Energy: 0.9446618462897908
Energy: 0.9462992716147193
Energy: 1.5196361901705218
Energy: 0.9462992716053397
Energy: 1.3614865919041488
Energy: 0.944998429481747
Energy: 1.1181528375499121
Energy: 0.9449984294864368
Energy: 1.3669232651396832
Energy: 1.012765896287106
Energy: 1.3492913121805044
Energy: 1.0127658962878876
Energy: 1.3873715425909956
Energy: 1.1535466291803413
Energy: 1.203851835268787
Energy: 1.1535466291819043
Energy: 1.100157415974745
Energy: 0.9483518318880227
Energy: 1.1581182481063694
Energy: 0.948351831891931
Energy: 1.0996525916864264
Energy: 0.9451571939707901
Energy: 0.9434570771887676
Energy: 0.9451571939676636
Energy: 1.3840750618941378
Energy: 0.9455884999197652
Energy: 0.948620321261546
Energy: 0.9455884999127305
Energy: 1.5115373741805351
Energy: 0.9438212446381172
Energy: 0.9714637191213709
Energy: 0.943821244657658
Energy: 1.2324925988634317
Energy: 0.9472939780521159
Energy: 1.0931954829652277
Energy: 0.9472939780716566
Energy: 1.1172171926973107
Energy: 1.0812976053902545
Energy: 1.083935038812345
Energy: 1.0812976053886914
Energy: 1.1931477212295107
Energy: 0.944642642719302
Energy: 1.110376571979272
Energy: 0.9446426427185203
Energy: 1.117589107320404
Energy: 1.0463377274252361
Energy: 1.343584034802946
Energy: 1.0463377274244545
Energy: 1.086149475765655
Energy: 0.9472652161024072
Energy: 1.3589044152210823
Energy: 0.9472652161055337
Energy: 0.9624225760665301
Energy: 0.9426800013941242
Energy: 1.116105374871287
Energy: 0.9426800013878712
Energy: 1.115989593080269
Energy: 0.9523086771808699
Energy: 1.0986341631319967
Energy: 0.9523086771746169
Energy: 0.959057201144221
Energy: 0.9459353140321944
Energy: 1.098026432876217
Energy: 0.9459353140345392
Energy: 0.9460919510853943
Energy: 0.9448243952040126
Energy: 1.1180915536722857
Energy: 0.9448243951977597
Energy: 0.9444192687189686
Energy: 0.9468377774638336
Energy: 1.5152842726889049
Energy: 0.946837777456799
Energy: 1.3574468719608375
Energy: 0.9457589985219262
Energy: 1.2336403845873112
Energy: 0.9457589985187996
Energy: 1.0789346708639644
Energy: 1.0171206880135966
Energy: 1.1241350410940143
Energy: 1.0171206880284474
Energy: 1.1651982136175163
Energy: 1.1582158715944986
Energy: 1.198303062400808
Energy: 1.1582158716030964
Energy: 1.0995007349881722
Energy: 0.9467299509093876
Energy: 1.3539673582493337
Energy: 0.9467299509008608
Energy: 1.1017514161897102
Energy: 0.9475625118321117
Energy: 0.9425002534381377
Energy: 0.9475625118344565
Energy: 1.3896603961641696
Energy: 0.9452334941809664
Energy: 0.9478234353975147
Energy: 0.9452334941887827
Energy: 1.2273409824254002
Energy: 0.9656850889328673
Energy: 0.9622512809785638
Energy: 0.9656850889250509

minimum gb energy = 0.9425002534381377 eV
minimum distance =  2.18512925753083 Angstroms
sigma value = 37


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

Energy: 1.308126387256599
Energy: 1.0119835086538889
Energy: 0.8934332357742065
Energy: 0.8959152794221789
Energy: 1.3007563602749095
Energy: 0.8944193156085957
Energy: 1.1269283603610363
Energy: 0.8944193156085957
Energy: 1.3452686917651873
Energy: 0.8935228622229476
Energy: 1.126679775370459
Energy: 0.8935228622229476
Energy: 1.3302304748011593
Energy: 1.031021093578194
Energy: 1.1086669646883553
Energy: 1.031021093578194
Energy: 1.1096301614994473
Energy: 1.0313103222039801
Energy: 1.1067063441205192
Energy: 1.0313103222039801
Energy: 1.1281896330803836
Energy: 0.8946963982445822
Energy: 0.9002924319826696
Energy: 0.8946963982459271
Energy: 0.8835509254092438
Energy: 0.894034793008241
Energy: 1.3811047084541679
Energy: 0.8940347930095858
Energy: 0.9249391512537961
Energy: 0.8956049269733258
Energy: 1.1007940961190303
Energy: 0.8956049269733258
Energy: 0.8938480028740828
Energy: 0.8968338499400396
Energy: 0.9762700386330861
Energy: 0.8968338499413844
Energy: 0.8941704401934644
Energy: 0.8950270087780686
Energy: 1.376377941089194
Energy: 0.8950270087780686
Energy: 0.8936434924247578
Energy: 0.8959152794248683
Energy: 1.308126387256599
Energy: 1.0119835086565785
Energy: 1.1269283603596911
Energy: 0.8944193156085957
Energy: 1.3007563602762235
Energy: 0.8944193156085957
Energy: 1.126679775370459
Energy: 0.8935228622216029
Energy: 1.3452686917638423
Energy: 0.8935228622216029
Energy: 1.1086669646923897
Energy: 1.031021093579539
Energy: 1.3302304748011593
Energy: 1.031021093579539
Energy: 1.1067063441191742
Energy: 1.0313103222039801
Energy: 1.109630161854312
Energy: 1.031310322205325
Energy: 0.9002924319127724
Energy: 0.8946963982432374
Energy: 1.1281896330790389
Energy: 0.8946963982432374
Energy: 1.381104708452823
Energy: 0.8940347930109305
Energy: 0.8835509254092438
Energy: 0.8940347930095858
Energy: 1.1007940985869153
Energy: 0.8956049269746704
Energy: 0.9249391512578302
Energy: 0.8956049269733258
Energy: 0.9762700385860501
Energy: 0.8968338499386947
Energy: 0.8938480028754275
Energy: 0.8968338499386947
Energy: 1.3763779410878494
Energy: 0.8950270087767239
Energy: 0.8941704401948091
Energy: 0.8950270087780686

minimum gb energy = 0.8835509254092438 eV
minimum distance =  2.19698819280657 Angstroms
sigma value = 25


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

Energy: 1.5249510901524908
Energy: 0.8824490576427372
Energy: 0.8582365302268802
Energy: 0.8578931253992611
Energy: 1.1516111622566496
Energy: 0.8573498003352974
Energy: 1.0046965363868021
Energy: 0.8573498003342476
Energy: 1.1513729554806256
Energy: 0.8610068700553946
Energy: 1.0050620513647772
Energy: 0.8610068700616951
Energy: 1.1429001914563188
Energy: 0.8575807921662986
Energy: 1.2080928129391484
Energy: 0.8575807921662986
Energy: 1.2051304823663092
Energy: 0.9660017754762626
Energy: 1.3328594348166074
Energy: 0.9660017754741625
Energy: 1.1520153571383887
Energy: 0.9663617776999766
Energy: 1.3347066006156487
Energy: 0.9663617776999766
Energy: 1.159946551014477
Energy: 1.107965542504772
Energy: 1.204700005071519
Energy: 1.107965542479618
Energy: 1.015145096392174
Energy: 0.8590766246953553
Energy: 1.335181493024951
Energy: 0.8590766246964054
Energy: 1.003537870314889
Energy: 0.8577867248230512
Energy: 1.2065620865907085
Energy: 0.8577867248251514
Energy: 1.0039787746452506
Energy: 0.8584219947945808
Energy: 1.3387361825250559
Energy: 0.8584219947945808
Energy: 0.8598311884597064
Energy: 0.8596659012842678
Energy: 1.329486111284204
Energy: 0.8596659012821676
Energy: 0.8577994203693966
Energy: 0.858998445574373
Energy: 1.208406944854195
Energy: 0.8589984455722728
Energy: 0.8583842256585348
Energy: 0.8599421455603796
Energy: 1.1557527504736982
Energy: 0.8599421455635299
Energy: 1.11127614862325
Energy: 0.859189106477604
Energy: 1.5215085863768816
Energy: 0.8591891064723536
Energy: 1.0135065512423262
Energy: 1.0043280053007255
Energy: 1.2063805237016891
Energy: 1.0043280052975754
Energy: 1.0075392993972343
Energy: 0.8607666189133798
Energy: 1.1548741990685736
Energy: 0.8607666189123296
Energy: 1.2067035487687063
Energy: 0.8576559973433776
Energy: 1.1589391473005204
Energy: 0.8576559973423276
Energy: 0.9981627630369586
Energy: 1.1079615517618666
Energy: 1.2059041857473067
Energy: 1.1079615517576662
Energy: 1.3368502011602803
Energy: 0.9660551962097059
Energy: 1.1612738576067598
Energy: 0.9660551962118061
Energy: 1.2072241361790377
Energy: 0.9689613242775131
Energy: 1.1674902138257635
Energy: 0.9689613242743629
Energy: 1.3359091116519777
Energy: 0.857573168540195
Energy: 1.0075446904850873
Energy: 0.8575731684698393
Energy: 1.2055988026461355
Energy: 0.8575456810110182
Energy: 0.8566662598569709
Energy: 0.8575456810120683
Energy: 1.2596416183959893
Energy: 0.8589764367593273
Energy: 1.0143927487858195
Energy: 0.8589764367582772
Energy: 1.3291509733953075
Energy: 0.8605548433725498
Energy: 0.8579278923514577
Energy: 0.8605548433714997
Energy: 1.2049371158412607
Energy: 0.8581415498205602
Energy: 0.8607367227999145
Energy: 0.8581415498205602
Energy: 1.1452531986340413
Energy: 0.8587044937312585
Energy: 0.8572028853183263
Energy: 0.8587044937302084

minimum gb energy = 0.8566662598569709 eV
minimum distance =  2.19987543320116 Angstroms
sigma value = 41


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

Energy: 1.6633619441910932
Energy: 0.854680767755489
Energy: 1.095911419693358
Energy: 0.8194372287418236
Energy: 1.3339518815383145
Energy: 0.9328438432849361
Energy: 0.9317215221653214
Energy: 0.9328438432814926
Energy: 1.3258681751897627
Energy: 0.8196289842991143
Energy: 0.9443720935001306
Energy: 0.8196289842991143
Energy: 1.318745629046658
Energy: 0.819999692267257
Energy: 1.1129193776910518
Energy: 0.819999692267257
Energy: 1.3551395137582392
Energy: 1.152912221835709
Energy: 1.1969270933573677
Energy: 1.1529122218331265
Energy: 1.346779814146001
Energy: 1.038648916492431
Energy: 1.2078946003190913
Energy: 1.0386489164915702
Energy: 1.334791893648049
Energy: 1.0354201825607356
Energy: 1.3529901163658096
Energy: 1.0354201825650402
Energy: 1.197290910957901
Energy: 1.0359251577545963
Energy: 1.1818566245169801
Energy: 1.0359251577537354
Energy: 1.0546522967112473
Energy: 1.0380512833345952
Energy: 1.3550386894270816
Energy: 1.0380512833328732
Energy: 1.0604373450656244
Energy: 1.1526144551998427
Energy: 1.3571480379555592
Energy: 1.1526144552007034
Energy: 0.9368927488349212
Energy: 0.8198057390531908
Energy: 1.494192928966716
Energy: 0.8198057390471645
Energy: 0.9347020026145064
Energy: 0.8188354921361475
Energy: 1.357063053999365
Energy: 0.8188354921370083
Energy: 0.9314670079645668
Energy: 0.8217940538936076
Energy: 1.3460984820668864
Energy: 0.821794053891025
Energy: 0.8251454553672949
Energy: 0.8201828598233419
Energy: 1.4841523389153848
Energy: 0.8201828598207591
Energy: 0.8210329966765968
Energy: 0.8193917367669357
Energy: 1.3567119499569495
Energy: 0.8193917367686575
Energy: 0.8195449296990409
Energy: 0.8228029587290836
Energy: 1.338904667389024
Energy: 0.8228029587290836
Energy: 0.9363796629654221
Energy: 0.8212862228468297
Energy: 1.3197054203593857
Energy: 0.8212862228459687
Energy: 0.9332752770170575
Energy: 0.9323547712775877
Energy: 1.3558948486497895
Energy: 0.9323547712818921
Energy: 0.9321326031720208
Energy: 0.8196101630083455
Energy: 1.3261189412692087
Energy: 0.8196101630092064
Energy: 1.201556699792327
Energy: 0.8248147505275927
Energy: 1.3311622326801371
Energy: 0.8248147505284535
Energy: 1.1867503399523467
Energy: 1.1534208197916855
Energy: 1.355805333558143
Energy: 1.1534208197891027
Energy: 1.1988496160189632
Energy: 1.0364911093974027
Energy: 1.3304683111269535
Energy: 1.0364911093991243
Energy: 1.3569320935325522
Energy: 1.2071657468244155
Energy: 1.3225836861793656
Energy: 1.20716574682692
Energy: 1.1826233203279648
Energy: 1.0364266253868781
Energy: 1.2014604466294774
Energy: 1.0364266253851564
Energy: 1.355269031733988
Energy: 1.153337229246305
Energy: 1.041409323635429
Energy: 1.153337229246305
Energy: 1.4337992191086486
Energy: 1.0375571434331492
Energy: 1.1968800673860338
Energy: 1.0375571434348712
Energy: 1.454475820881288
Energy: 0.8193523292657834
Energy: 0.932361514861189
Energy: 0.819352329260618
Energy: 1.3548208741515506
Energy: 0.9317107030901598
Energy: 0.930326193848177
Energy: 0.9317107030953251
Energy: 1.3408138005118841
Energy: 0.8196532099458461
Energy: 0.9379389665295577
Energy: 0.819653209947568
Energy: 1.341700539549636
Energy: 0.8235675070262812
Energy: 0.8197545907508809
Energy: 0.8235675070288639
Energy: 1.3552942434429898
Energy: 0.8183261611081922
Energy: 0.8194430376410601
Energy: 0.8183261611064704
Energy: 1.3252531844479962
Energy: 0.822972603633695
Energy: 0.821259891693985
Energy: 0.8229726036397211

minimum gb energy = 0.8183261611064704 eV
minimum distance =  2.1993581990511 Angstroms
sigma value = 15


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

Energy: 1.5175542920117497
Energy: 0.8321094059961484
Energy: 1.084069390387012
Energy: 0.8034037894810833
Energy: 1.4689526110679532
Energy: 0.884902178612818
Energy: 0.8977354583348685
Energy: 0.8849021786135473
Energy: 1.4374529193215917
Energy: 0.8864973513608101
Energy: 0.8958865793673124
Energy: 0.8864973513411191
Energy: 1.5233705121255128
Energy: 0.8396068597567778
Energy: 1.100240677276134
Energy: 0.8396068597604245
Energy: 1.4404153327601616
Energy: 1.0861598267089316
Energy: 1.096483356175657
Energy: 1.0861598267082024
Energy: 1.4824510546452079
Energy: 1.0305075333729756
Energy: 1.1092855384094797
Energy: 1.0305075333773515
Energy: 1.2555067277294387
Energy: 1.029713022322293
Energy: 1.3409214537535055
Energy: 1.0297130223273983
Energy: 1.3444546695413933
Energy: 1.1562181268323424
Energy: 1.1309112122846319
Energy: 1.156218126846133
Energy: 1.2674945592479878
Energy: 1.1547703644873806
Energy: 1.3312059727540397
Energy: 1.1547703644946736
Energy: 1.2750504901951798
Energy: 1.1535025333382922
Energy: 1.4400378507786007
Energy: 1.15350253333027
Energy: 1.105012884622826
Energy: 0.7862230346204142
Energy: 1.3819289227784382
Energy: 0.7862230346175633
Energy: 1.0262241163244301
Energy: 1.0365606685897952
Energy: 1.5220260421445495
Energy: 1.036560668583961
Energy: 1.113275221788896
Energy: 0.9267855489607191
Energy: 1.372526989860275
Energy: 0.926785548962907
Energy: 0.8925057083998473
Energy: 0.7845807828022603
Energy: 1.3799903671213127
Energy: 0.784580782797155
Energy: 0.8848202243337593
Energy: 0.8945239084637783
Energy: 1.4226821929944207
Energy: 0.8945239084601317
Energy: 0.8842191704229336
Energy: 0.7836840162060438
Energy: 1.370975577022014
Energy: 0.7836840162096904
Energy: 0.8380188896516095
Energy: 0.7873956142198683
Energy: 1.3763261354161853
Energy: 0.7873956142060777
Energy: 0.8283249912011672
Energy: 0.8273267968485075
Energy: 1.429014411061617
Energy: 0.8273267968594471
Energy: 0.828994306625943
Energy: 0.7840804473982499
Energy: 1.4469969128906455
Energy: 0.7840804473989792
Energy: 0.9219970603579287
Energy: 0.7827756116885775
Energy: 1.4134520482058326
Energy: 0.7827756116747209
Energy: 0.9211258850125834
Energy: 0.9203990519157441
Energy: 1.4292525861847396
Energy: 0.9203990519062633
Energy: 0.9233437859468332
Energy: 0.7830372516967713
Energy: 1.5244171801451076
Energy: 0.7830372516909369
Energy: 1.0902492907539412
Energy: 1.0778618237312956
Energy: 1.4710982793291225
Energy: 1.0778618237364006
Energy: 1.0908472323793585
Energy: 1.080857838492379
Energy: 1.4195315455423896
Energy: 1.0808578384967549
Energy: 1.0990135414771056
Energy: 0.9810440359762629
Energy: 1.24881715194089
Energy: 0.9810440359755337
Energy: 1.330537615594273
Energy: 1.1388616431295284
Energy: 1.4235759912715436
Energy: 1.1388616431280698
Energy: 1.1386874383952774
Energy: 1.1600772153863619
Energy: 1.342582667439575
Energy: 1.1600772154001524
Energy: 1.332455149228794
Energy: 1.1212975156001963
Energy: 1.2535956157060775
Energy: 1.121297515589986
Energy: 1.3935754599979142
Energy: 0.9884688704178787
Energy: 1.3379443810933849
Energy: 0.9884688704062099
Energy: 1.392458478306789
Energy: 0.988987710211848
Energy: 1.1119469603482917
Energy: 0.988987710224246
Energy: 1.4401486895921962
Energy: 1.0843267235667686
Energy: 1.0263658187881404
Energy: 1.084326723567498
Energy: 1.3807600190692544
Energy: 0.8349371053282576
Energy: 1.1034485607055684
Energy: 0.8349371053348215
Energy: 1.4616991230437022
Energy: 0.8334136547756177
Energy: 0.8998280694164303
Energy: 0.833413654776347
Energy: 1.4413053166507162
Energy: 0.8854971794183343
Energy: 0.8950725809574133
Energy: 0.8854971794066655
Energy: 1.6663106169784663
Energy: 0.8931142881997717
Energy: 0.8586604895846777
Energy: 0.8931142881867106
Energy: 1.466154548433359
Energy: 0.7920288784550229
Energy: 0.8029346557018131
Energy: 0.7920288784477298
Energy: 1.4324451274092065
Energy: 0.7923183189442373
Energy: 0.7925509190991596
Energy: 0.792318318938403

minimum gb energy = 0.7827756116747209 eV
minimum distance =  2.2042768877394 Angstroms
sigma value = 85


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

Energy: 1.5210201134210048
Energy: 0.7469059605475329
Energy: 0.7333260170018053
Energy: 0.7328006306155049
Energy: 1.4794099273216468
Energy: 0.807826580282798
Energy: 0.8092505910830732
Energy: 0.807826580282798
Energy: 1.468890532633512
Energy: 0.726352581645592
Energy: 0.8115371901029504
Energy: 0.7263525816449594
Energy: 1.278608699418983
Energy: 0.7269119542119892
Energy: 1.0084828607161984
Energy: 0.7269119542132544
Energy: 1.4931145050261374
Energy: 0.9897365559998966
Energy: 0.9901854424838333
Energy: 0.9897365559992641
Energy: 1.3059973802528693
Energy: 0.9083134894387859
Energy: 0.9888201697297064
Energy: 0.9083134894394183
Energy: 1.2966785727544776
Energy: 0.9084127182845342
Energy: 1.2119615971265856
Energy: 0.9084127182870643
Energy: 1.4109684311299509
Energy: 1.0832515495855848
Energy: 0.9764537767073737
Energy: 1.0832515495868495
Energy: 1.3157526823136774
Energy: 1.080087271279024
Energy: 1.2104612927165013
Energy: 1.0800872712771263
Energy: 1.3023972816515124
Energy: 1.0815135901401405
Energy: 1.3972400057871708
Energy: 1.0815135901407729
Energy: 1.20994970027771
Energy: 1.079568972495511
Energy: 1.1767272332797365
Energy: 1.0795689724961435
Energy: 1.0787142981733677
Energy: 1.0807185974414164
Energy: 1.3998217352932316
Energy: 1.0807185974401514
Energy: 1.2151435524860614
Energy: 1.0652328166548326
Energy: 1.389202578245258
Energy: 1.0652328166548326
Energy: 1.0037546883643151
Energy: 0.9083757021850319
Energy: 1.1735316668499516
Energy: 0.9083757021818692
Energy: 0.8853730939310204
Energy: 0.9897836347239106
Energy: 1.4931454458348574
Energy: 0.9897836347226454
Energy: 1.0012973075604819
Energy: 0.908430122708747
Energy: 1.3803357877321207
Energy: 0.9084301227144397
Energy: 0.8175827675764896
Energy: 0.7265293562120254
Energy: 1.3788049291561684
Energy: 0.7265293562120254
Energy: 0.8071522225624336
Energy: 0.8075604686796883
Energy: 1.4931027088892541
Energy: 0.8075604686796883
Energy: 0.8157160017723544
Energy: 0.7260207359157405
Energy: 1.4749418919334372
Energy: 0.726020735916373
Energy: 0.7257493173495478
Energy: 0.7268031029665283
Energy: 1.4744933427281584
Energy: 0.7268031029684258
Energy: 0.7292966432899153
Energy: 0.7281927785951243
Energy: 1.4931619021038824
Energy: 0.7281927785944917
Energy: 0.7273551070968598
Energy: 0.7275343470596096
Energy: 1.4610499559847936
Energy: 0.727534347057712
Energy: 0.8146021875934569
Energy: 0.8090378960745344
Energy: 1.4690730000364447
Energy: 0.8090378960751669
Energy: 0.8110263225409813
Energy: 0.8071210243348982
Energy: 1.4935869442705652
Energy: 0.8071210243348982
Energy: 0.8133811029113764
Energy: 0.7274341935509077
Energy: 1.2771649170461377
Energy: 0.7274341935509077
Energy: 0.9884808460309236
Energy: 0.9081213528362819
Energy: 1.4820530605614306
Energy: 0.9081213528375469
Energy: 0.9909196613950813
Energy: 0.9081918908241137
Energy: 1.4839712026002674
Energy: 0.9081918908222161
Energy: 1.1931723063605
Energy: 0.7270467056087411
Energy: 1.2839808363667065
Energy: 0.7270467056055784
Energy: 1.2037124498946647
Energy: 1.0805690947131639
Energy: 1.4933587962323214
Energy: 1.0805690947125315
Energy: 1.2067654383165956
Energy: 1.0812177328096135
Energy: 1.3024366194695884
Energy: 1.081217732807716
Energy: 1.4103919501293738
Energy: 1.0808556195505457
Energy: 1.0706138325235377
Energy: 1.0808556195492807
Energy: 1.1824922710457013
Energy: 1.0799043433613795
Energy: 1.3376691742838227
Energy: 1.0799043433620121
Energy: 1.4028968856981732
Energy: 1.0809134794004027
Energy: 1.078981554461135
Energy: 1.0809134794029327
Energy: 1.4923531691242966
Energy: 1.0818051528676615
Energy: 1.0846487668004732
Energy: 1.0818051528689265
Energy: 1.170893942963001
Energy: 0.7267796025942973
Energy: 1.0018736711422365
Energy: 0.7267796025923997
Energy: 1.4917371517454865
Energy: 0.9090203028741249
Energy: 0.9895988026958995
Energy: 0.9090203028753899
Energy: 1.3879684294828694
Energy: 0.9904498353222853
Energy: 0.9895263518860427
Energy: 0.9904498353222853
Energy: 1.4019646387460754
Energy: 0.7271547445919753
Energy: 0.8233406539754742
Energy: 0.7271547445919753
Energy: 1.4935029975973066
Energy: 0.7280883221264315
Energy: 0.8103882931129048
Energy: 0.7280883221264315
Energy: 1.4745062436835907
Energy: 0.7283429536311234
Energy: 0.8149274096000554
Energy: 0.7283429536317559
Energy: 1.3984167285058264
Energy: 0.7272110754068168
Energy: 0.7271023634254368
Energy: 0.7272110754093468
Energy: 1.4930801574188761
Energy: 0.7279297804356721
Energy: 0.7281471656078726
Energy: 0.7279297804363047
Energy: 1.4607963970365947
Energy: 0.7269426703672376
Energy: 0.7267578916897558
Energy: 0.7269426703672376

minimum gb energy = 0.7257493173495478 eV
minimum distance =  2.20426564300543 Angstroms
sigma value = 113


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

Energy: 0.021534747788313626
Energy: 0.02241282603368285
Energy: 1.2700642962878825
Energy: 0.5295433903392802
Energy: 0.022353245490064132
Energy: 0.22253552352596243
Energy: 0.9664813720964347
Energy: 0.2225355235287719
Energy: 0.02186730548942009
Energy: 0.22353087623851847
Energy: 0.9665256647311885
Energy: 0.22353087623516874
Energy: 0.02167195317157159
Energy: 0.22271026960625687
Energy: 0.9653566462014054
Energy: 0.22271026960625687
Energy: 0.9670474737013015
Energy: 0.22221815253491514
Energy: 0.9669059405011566
Energy: 0.22221815252918817
Energy: 0.021781789060441755
Energy: 0.22260757443153903
Energy: 0.9680878624341256
Energy: 0.22260757443013432

minimum gb energy = 0.021534747788313626 eV
minimum distance =  2.41039863531645 Angstroms
sigma value = 1