Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_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=3.520000368356705
cohesive_energy=4.450349990424746
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=[1.8647894060789398e-19, 2.77399260234126e-19, 3.4574971761719994e-19, 4.0075885016895597e-19, 4.46576295371454e-19, 4.855171984608239e-19, 5.190411423506399e-19, 5.48143078730616e-19, 5.73537578379516e-19, 5.95759768293096e-19, 6.152278165728299e-19, 6.322685672520539e-19, 6.4715118600528e-19, 6.600935688547319e-19, 6.712815682899539e-19, 6.80870595444444e-19, 6.88993630978824e-19, 6.95767633787376e-19, 7.012935409980419e-19, 7.056594723256919e-19, 7.08943934425392e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11028366226226e-19, 7.083543334240799e-19, 7.04281600420452e-19, 6.98568238543608e-19, 6.909258559994281e-19, 6.81006780458334e-19, 6.68399252525388e-19, 6.52601790914148e-19, 6.330023641504259e-19, 6.08854357922778e-19, 5.792429293731899e-19, 5.430273287382539e-19, 4.987800166370759e-19, 4.44696942179772e-19, 3.78475777543284e-19, 2.97146087248176e-19, 1.9682739948689997e-19, 7.237160029908719e-20, -8.31471994687176e-20, -2.7920010677074197e-19, -5.2796526620202e-19, -8.472742628283179e-19, -1.265445568655586e-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: 0.0 eV

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

Energy: 0.018101993923964884
Energy: 0.018512856525971077
Energy: 0.7690559146570201
Energy: 0.15198195257037347
Energy: 0.018512856525971077
Energy: 0.8481946113537919
Energy: 0.15198195257103503
Energy: 0.8481946113537919
Energy: 0.7690559146570201
Energy: 0.15198195257169653
Energy: 0.018101993923964884
Energy: 0.018512856525971077
Energy: 0.15198195257103503
Energy: 0.8481946113537919
Energy: 0.018512856525971077
Energy: 0.8481946113544168

minimum gb energy = 0.018101993923964884 eV
minimum distance =  2.47410748878833 Angstroms
sigma value = 1


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

Energy: 1.5429526470679362
Energy: 1.0538130764913864
Energy: 1.1412832169459899
Energy: 1.13942858084875
Energy: 1.0778817004770498
Energy: 1.1687309864271505
Energy: 1.0640709986499561
Energy: 1.1687309864287552
Energy: 1.1423477271487066
Energy: 1.1399247249932845
Energy: 1.0647051900444204
Energy: 1.1399247249932845
Energy: 1.0682128608074395
Energy: 1.0631694789617105
Energy: 1.0644752737310494
Energy: 1.0631694789609083
Energy: 1.1146622295387079
Energy: 1.0652548527140824
Energy: 1.0687117018956909
Energy: 1.0652548527140824
Energy: 1.1131198791960217
Energy: 1.1906763227213852
Energy: 1.0659422209716598
Energy: 1.190676322719781
Energy: 1.1137014512766363
Energy: 1.1356524562903314
Energy: 1.1112911414448532
Energy: 1.1356524562911336
Energy: 1.1146924845484552
Energy: 1.1132611323129322
Energy: 1.1566561014529892
Energy: 1.11326113231213
Energy: 1.1323553661286963
Energy: 1.2032339358758897
Energy: 1.132044156422453
Energy: 1.2032339358774944
Energy: 1.1785642873858322
Energy: 1.1854506559890796
Energy: 1.1331773178562798
Energy: 1.1854506559866727
Energy: 1.1281645558191533
Energy: 1.2022792843282584
Energy: 1.1331726252433405
Energy: 1.2022792843266539
Energy: 1.1143152848255062
Energy: 1.2023927309683877
Energy: 1.1865669603441034
Energy: 1.2023927309675855
Energy: 1.1260939239303658
Energy: 1.141054418255153
Energy: 1.076934279129583
Energy: 1.141054418255153
Energy: 1.1141662325017925
Energy: 1.1381224626878297
Energy: 1.1319027027168223
Energy: 1.1381224626870274
Energy: 1.077193143114244
Energy: 1.063628614579084
Energy: 1.0644500299877824
Energy: 1.0636286145798863
Energy: 1.0915524954630744
Energy: 1.0641531975237934
Energy: 1.0639150498481071
Energy: 1.0641531975237934
Energy: 1.1385965943262055
Energy: 1.1377194467338332
Energy: 1.0475090181556492
Energy: 1.137719446733031
Energy: 1.0654467268837093
Energy: 1.064593250460764
Energy: 1.0782244263138305
Energy: 1.064593250460764
Energy: 1.0625438269675485
Energy: 1.1412800918610622
Energy: 1.1398856159175195
Energy: 1.1412800918626664
Energy: 1.1112053685276062
Energy: 1.0646205031957376
Energy: 1.0677022723437024
Energy: 1.0646205031973424
Energy: 1.0649579182270876
Energy: 1.0654512891172405
Energy: 1.1123084713695854
Energy: 1.0654512891164383
Energy: 1.0651579012339074
Energy: 1.06424920641426
Energy: 1.1130873126708019
Energy: 1.0642492064150624
Energy: 1.1111104505214207
Energy: 1.1350026109979832
Energy: 1.11084000173933
Energy: 1.1350026109995877
Energy: 1.1575462360199553
Energy: 1.1428945623878095
Energy: 1.1136622485204546
Energy: 1.142894562386205
Energy: 1.1338714636217493
Energy: 1.2014015642152114
Energy: 1.2503499012800066
Energy: 1.2014015642176181
Energy: 1.1351774362811649
Energy: 1.2012521718774618
Energy: 1.1811972932049124
Energy: 1.201252171878264
Energy: 1.2520819295966636
Energy: 1.2017411494376224
Energy: 1.1284796506875185
Energy: 1.2017411494376224
Energy: 1.1837532875642078
Energy: 1.203011229892481
Energy: 1.1144615433597558
Energy: 1.2030112298916786
Energy: 1.0780236657419817
Energy: 1.1430731788470967
Energy: 1.1262461964075343
Energy: 1.1430731788487014
Energy: 1.078782211881132
Energy: 1.1359445076582801
Energy: 1.1140694842608891
Energy: 1.1359445076582801
Energy: 1.0635505491353119
Energy: 1.0637044157664242
Energy: 1.0773369018909065
Energy: 1.0637044157672266
Energy: 1.0639179074483194
Energy: 1.0646483887408773
Energy: 1.0905197162197753
Energy: 1.0646483887392726
Energy: 1.047315198696025
Energy: 1.1375167728482538
Energy: 1.1378406383058337
Energy: 1.1375167728466493

minimum gb energy = 1.047315198696025 eV
minimum distance =  2.25637405994288 Angstroms
sigma value = 1


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

Energy: 1.7553282893699484
Energy: 1.0933561181793623
Energy: 1.1958335548694554
Energy: 1.1934396121396431
Energy: 1.130404606743301
Energy: 1.2174474986983599
Energy: 1.1096694242282
Energy: 1.217447498701104
Energy: 1.191849674704033
Energy: 1.19432803720634
Energy: 1.1082377406921124
Energy: 1.1943280372054257
Energy: 1.114638249169137
Energy: 1.108834845835456
Energy: 1.1092639351077114
Energy: 1.1088348458327117
Energy: 1.1081679193355725
Energy: 1.1098047674260585
Energy: 1.1094198087788187
Energy: 1.1098047674251434
Energy: 1.166946365639255
Energy: 1.2429376010731392
Energy: 1.1089277621314444
Energy: 1.2429376010749686
Energy: 1.1684467349783343
Energy: 1.2035713608112546
Energy: 1.1639437612158106
Energy: 1.2035713608057659
Energy: 1.1683400776016157
Energy: 1.2028305645669874
Energy: 1.2436267429815593
Energy: 1.2028305645688167
Energy: 1.164786968899686
Energy: 1.260725823671913
Energy: 1.174220709511975
Energy: 1.2607258236709984
Energy: 1.2450713364976802
Energy: 1.2541923963230586
Energy: 1.170102398278984
Energy: 1.254192396321229
Energy: 1.1304678664270489
Energy: 1.2031894148019158
Energy: 1.1935626026336497
Energy: 1.2031894148028308
Energy: 1.1301369584262573
Energy: 1.2046599337329267
Energy: 1.1681541368607016
Energy: 1.204659933734756
Energy: 1.1105376506517617
Energy: 1.1097012405519753
Energy: 1.1307320050637797
Energy: 1.1097012405519753
Energy: 1.1088693302548656
Energy: 1.1096458424154805
Energy: 1.0875508286792883
Energy: 1.1096458424145654
Energy: 1.0860267175891984
Energy: 1.190815973441695
Energy: 1.1925830225833705
Energy: 1.1908159734435242
Energy: 1.1307642351613079
Energy: 1.109675571655185
Energy: 1.1092549266579463
Energy: 1.1096755716560998
Energy: 1.1940204883118024
Energy: 1.1959032542611727
Energy: 1.1076097189958505
Energy: 1.195903254259343
Energy: 1.1146337952767396
Energy: 1.1088073014636954
Energy: 1.165251605299058
Energy: 1.1088073014636954
Energy: 1.108691113543505
Energy: 1.1111060229520537
Energy: 1.111018782763903
Energy: 1.1111060229538832
Energy: 1.1674713287523748
Energy: 1.1096380231330085
Energy: 1.1089286919324304
Energy: 1.109638023135753
Energy: 1.165097015217899
Energy: 1.209211332888287
Energy: 1.1648566782011696
Energy: 1.2092113328910312
Energy: 1.1657577925517693
Energy: 1.2093312429675713
Energy: 1.2452425766150215
Energy: 1.2093312429730596
Energy: 1.1655020471403628
Energy: 1.2627811500570625
Energy: 1.1753172030476944
Energy: 1.2627811500543182
Energy: 1.2448579459147284
Energy: 1.263446719032019
Energy: 1.1657411930752217
Energy: 1.2634467190301897
Energy: 1.128796112929036
Energy: 1.204082224764408
Energy: 1.1942517504826407
Energy: 1.2040822247680671
Energy: 1.1292648900523978
Energy: 1.204958301375365
Energy: 1.1666448280273374
Energy: 1.2049583013744505
Energy: 1.1094206146776187
Energy: 1.1098537084746554
Energy: 1.1294084847938846
Energy: 1.1098537084746554
Energy: 1.1084595824733046
Energy: 1.109197717434767
Energy: 1.0871064168448588
Energy: 1.1091977174365963
Energy: 1.0856465933406705
Energy: 1.1905829680186222
Energy: 1.1914142059920474
Energy: 1.1905829680131337

minimum gb energy = 1.0856465933406705 eV
minimum distance =  2.25516478243118 Angstroms
sigma value = 25


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

Energy: 1.6753096336295097
Energy: 1.133785897367105
Energy: 1.2523943634364085
Energy: 1.2520134921955985
Energy: 1.1904246842514352
Energy: 1.2662269064087621
Energy: 1.1587813042428936
Energy: 1.2662269064087621
Energy: 1.2511669762253201
Energy: 1.2499781291337013
Energy: 1.1575720854020388
Energy: 1.2499781291326377
Energy: 1.1665163053671253
Energy: 1.2669874902064986
Energy: 1.15880788050987
Energy: 1.2669874902075622
Energy: 1.157090550570062
Energy: 1.1587435149105272
Energy: 1.1606592930984199
Energy: 1.1587435149105272
Energy: 1.2695753068971025
Energy: 1.15898625284285
Energy: 1.1591811601498958
Energy: 1.1589862528439137
Energy: 1.2246271985291088
Energy: 1.2843286560152705
Energy: 1.219487655073716
Energy: 1.2843286560152705
Energy: 1.2202658418526968
Energy: 1.288955823868136
Energy: 1.3183061067311548
Energy: 1.288955823868136
Energy: 1.2239603768391487
Energy: 1.284097439230753
Energy: 1.1906342638698384
Energy: 1.2840974392296893
Energy: 1.2708058073674706
Energy: 1.2842196833584385
Energy: 1.1591144955190569
Energy: 1.2842196833584385
Energy: 1.1240031095130192
Energy: 1.1588128972857485
Energy: 1.1581665678246529
Energy: 1.1588128972857485
Energy: 1.1249251243715839
Energy: 1.1588730463055235
Energy: 1.158762810217527
Energy: 1.1588730463044599
Energy: 1.2478427015401548
Energy: 1.2483399191661433
Energy: 1.1234326516473288
Energy: 1.2483399191661433
Energy: 1.1584722339454052
Energy: 1.1675459272624684
Energy: 1.1903754864150002
Energy: 1.167545927263532
Energy: 1.1584607242591771
Energy: 1.2549354161443094
Energy: 1.2543221203054145
Energy: 1.2549354161443094
Energy: 1.2656868637007135
Energy: 1.1595797692707976
Energy: 1.166529064535118
Energy: 1.1595797692707976
Energy: 1.1585070425097537
Energy: 1.160162358194912
Energy: 1.1575409909323782
Energy: 1.160162358194912
Energy: 1.1591184082338104
Energy: 1.1590791513667573
Energy: 1.2692490203577838
Energy: 1.1590791513678207
Energy: 1.2178850161060517
Energy: 1.2885303514838167
Energy: 1.2254793678616533
Energy: 1.28853035148488
Energy: 1.3197220277084485
Energy: 1.2884714018306131
Energy: 1.222069363935094
Energy: 1.2884714018327401
Energy: 1.1924529243926252
Energy: 1.2836657552000443
Energy: 1.224578042885794
Energy: 1.2836657552000443
Energy: 1.1913758080714534
Energy: 1.2845831268326742
Energy: 1.223819776328219
Energy: 1.2845831268316106
Energy: 1.1573730184540771
Energy: 1.1588814157656753
Energy: 1.1248643197872568
Energy: 1.1588814157656753
Energy: 1.1588938371451931
Energy: 1.1592448051656137
Energy: 1.1251980788988571
Energy: 1.1592448051677404
Energy: 1.1231743355470496
Energy: 1.2477753713449449
Energy: 1.2486189092512803
Energy: 1.2477753713449449

minimum gb energy = 1.1231743355470496 eV
minimum distance =  2.25030911338164 Angstroms
sigma value = 9


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

Energy: 1.5573944875798171
Energy: 1.1713280825758696
Energy: 1.31382373597969
Energy: 1.3121823143457696
Energy: 1.2632774954206385
Energy: 1.3117622615163747
Energy: 1.2171116065268883
Energy: 1.311762261517643
Energy: 1.3128074156535359
Energy: 1.3088273005237043
Energy: 1.3039703411147079
Energy: 1.3088273005237043
Energy: 1.214540190633066
Energy: 1.3119803622569033
Energy: 1.2171846078681519
Energy: 1.3119803622556345
Energy: 1.2162771748837156
Energy: 1.2169753038277806
Energy: 1.2188158768518174
Energy: 1.2169753038277806
Energy: 1.2173792889032935
Energy: 1.2190951553591725
Energy: 1.2195196248424371
Energy: 1.2190951553591725
Energy: 1.2701259677137522
Energy: 1.3584869433776179
Energy: 1.2175333987432684
Energy: 1.3584869433801547
Energy: 1.2198100429833947
Energy: 1.3642355605218266
Energy: 1.2166999729024897
Energy: 1.3642355605218266
Energy: 1.2157015749554632
Energy: 1.2168802830188892
Energy: 1.1567603383522886
Energy: 1.2168802830188892
Energy: 1.2172921758405708
Energy: 1.2169715434730166
Energy: 1.1563010622237295
Energy: 1.2169715434717479
Energy: 1.1541445453657175
Energy: 1.3071934778128451
Energy: 1.3075589081761554
Energy: 1.3071934778128451
Energy: 1.2649543453199523
Energy: 1.2220047504990263
Energy: 1.2169320446336727
Energy: 1.2220047505015637
Energy: 1.3184756541404399
Energy: 1.3078505769787527
Energy: 1.3167979481061565
Energy: 1.3078505769812896
Energy: 1.3067168422613014
Energy: 1.311066477676361
Energy: 1.206377147753578
Energy: 1.3110664776776293
Energy: 1.216574746589498
Energy: 1.2180457148331094
Energy: 1.2233018280146433
Energy: 1.218045714834378
Energy: 1.220125946001542
Energy: 1.2186697344731197
Energy: 1.2229672044044346
Energy: 1.2186697344743596
Energy: 1.2687312268064403
Energy: 1.3616660821455402
Energy: 1.2201018011398765
Energy: 1.361666082146809
Energy: 1.2675331696572167
Energy: 1.359507189376584
Energy: 1.2180290500716846
Energy: 1.3595071893753155
Energy: 1.2145521496115892
Energy: 1.2167105569810657
Energy: 1.1562248237380262
Energy: 1.2167105569810657
Energy: 1.2180949057197217
Energy: 1.2176296744285322
Energy: 1.156211123257555
Energy: 1.217629674429801
Energy: 1.1542481544863308
Energy: 1.3063661774358337
Energy: 1.304897861161687
Energy: 1.3063661774358337

minimum gb energy = 1.1541445453657175 eV
minimum distance =  2.25007656075288 Angstroms
sigma value = 25


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

Energy: 1.3962188178713433
Energy: 1.1992807270992676
Energy: 1.3772159227872345
Energy: 1.3726595859343744
Energy: 1.367803081358075
Energy: 1.299109398344503
Energy: 1.3832463963437043
Energy: 1.2991093983429345
Energy: 1.3700334285357796
Energy: 1.3696063962529976
Energy: 1.3767249913892352
Energy: 1.3696063962529976
Energy: 1.3694951458531033
Energy: 1.2996102503808924
Energy: 1.2263654745720187
Energy: 1.2996102503808924
Energy: 1.2216793818892386
Energy: 1.3005693905136473
Energy: 1.2261638614377064
Energy: 1.3005693905136473
Energy: 1.1886603306827035
Energy: 1.2275220272681804
Energy: 1.2237210701710053
Energy: 1.2275220272697491
Energy: 1.1821905886703097
Energy: 1.298127060403872
Energy: 1.226806053035295
Energy: 1.298127060402303
Energy: 1.181867877792064
Energy: 1.3002262398905213
Energy: 1.2303765444009973
Energy: 1.3002262398905213
Energy: 1.3681329335449737
Energy: 1.3684288738848147
Energy: 1.5515590759814937
Energy: 1.368428873883246
Energy: 1.3821391316083145
Energy: 1.1892889593180436
Energy: 1.368470621881026
Energy: 1.1892889593196123
Energy: 1.372944911932803
Energy: 1.3686109234736419
Energy: 1.3820988605882842
Energy: 1.3686109234736419
Energy: 1.3664816060708194
Energy: 1.300545188366586
Energy: 1.3695712083524751
Energy: 1.3005451883681545
Energy: 1.225047610627909
Energy: 1.36397053425088
Energy: 1.2205976499897033
Energy: 1.36397053425088
Energy: 1.2265047926137818
Energy: 1.299233258267754
Energy: 1.190065640842506
Energy: 1.299233258267754
Energy: 1.2908907152880884
Energy: 1.2988873950860431
Energy: 1.1814719171489592
Energy: 1.2988873950860431
Energy: 1.2254312660390343
Energy: 1.2253546122514773
Energy: 1.1815051151631606
Energy: 1.2253546122514773
Energy: 1.5514662161270607
Energy: 1.3683197232677726
Energy: 1.365792304713895
Energy: 1.3683197232693411

minimum gb energy = 1.1814719171489592 eV
minimum distance =  2.25388148854468 Angstroms
sigma value = 17


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

Energy: 1.897009226890929
Energy: 1.3994541141130865
Energy: 1.5109606249490872
Energy: 1.5102467245299027
Energy: 1.3290915930278409
Energy: 1.3130165934025042
Energy: 1.5185535081112198
Energy: 1.3130165934042815
Energy: 1.3048973857253787
Energy: 1.303991062319339
Energy: 1.503394824533577
Energy: 1.3039910623184503
Energy: 1.3044815714223619
Energy: 1.3048493563334653
Energy: 1.3083505917262164
Energy: 1.3048493563316883
Energy: 1.3034857148952812
Energy: 1.409610132582348
Energy: 1.3224934464661806
Energy: 1.4096101325814596
Energy: 1.3116266263224174
Energy: 1.4041718625673851
Energy: 1.3033678228279517
Energy: 1.4041718625664963
Energy: 1.3789199199785416
Energy: 1.3020805883955955
Energy: 1.3019729903687203
Energy: 1.3020805883938187
Energy: 1.6199085758782625
Energy: 1.3107305505265483
Energy: 1.3035883609922336
Energy: 1.3107305505265483
Energy: 1.5195832825289501
Energy: 1.5033826153492795
Energy: 1.4994748138361929
Energy: 1.503382615350168
Energy: 1.5016509308147508
Energy: 1.4065501545540227
Energy: 1.5224230043036908
Energy: 1.4065501545522456
Energy: 1.2997409367884407
Energy: 1.2799174757309422
Energy: 1.2486854061937296
Energy: 1.2799174757282767
Energy: 1.509328136349592
Energy: 1.2809953521758486
Energy: 1.2742849358778632
Energy: 1.2809953521776256
Energy: 1.380562142378867
Energy: 1.2822963806919847
Energy: 1.2796414491486494
Energy: 1.2822963806910965
Energy: 1.3808448259042831
Energy: 1.2807917659311643
Energy: 1.2499557214930115
Energy: 1.280791765930276
Energy: 1.5015102528963766
Energy: 1.5018025006229152
Energy: 1.6178812610755582
Energy: 1.501802500624692
Energy: 1.5241687484055115
Energy: 1.5008766322764657
Energy: 1.6176877873115822
Energy: 1.5008766322764657
Energy: 1.5015422406906014
Energy: 1.3027244921591188
Energy: 1.3034355885760818
Energy: 1.3027244921591188
Energy: 1.5020943582151673
Energy: 1.3030226755142336
Energy: 1.298982490388485
Energy: 1.3030226755142336
Energy: 1.3023262983145136
Energy: 1.4102549800839175
Energy: 1.3045994614071195
Energy: 1.4102549800830289
Energy: 1.3347082770169245
Energy: 1.409525815206972
Energy: 1.3025653290311376
Energy: 1.4095258152060834
Energy: 1.3025740997033912
Energy: 1.3114326194892187
Energy: 1.632912930691889
Energy: 1.3114326194883301
Energy: 1.3046590482959954
Energy: 1.305697290207339
Energy: 1.3798866929561757
Energy: 1.305697290207339
Energy: 1.4238992371539605
Energy: 1.4039899465969643
Energy: 1.5177755381890325
Energy: 1.4039899465969643
Energy: 1.49967234337514
Energy: 1.5037703388298589
Energy: 1.5049704584458476
Energy: 1.5037703388298589
Energy: 1.276138853414787
Energy: 1.281915966841775
Energy: 1.5043435950497401
Energy: 1.281915966841775
Energy: 1.2746602516608254
Energy: 1.2823927748637427
Energy: 1.302839418043663
Energy: 1.2823927748637427
Energy: 1.2484755654599207
Energy: 1.2551773957616836
Energy: 1.3982584298212095
Energy: 1.255177395762572
Energy: 1.2740272753711375
Energy: 1.2815278716236682
Energy: 1.3819929886294284
Energy: 1.2815278716236682
Energy: 1.2774154752090126
Energy: 1.2856239276810435
Energy: 1.3806359233810441
Energy: 1.2856239276810435
Energy: 1.6208723222597476
Energy: 1.5049273988211922
Energy: 1.5048797602146633
Energy: 1.5049273988220804

minimum gb energy = 1.2484755654599207 eV
minimum distance =  2.2385499308865 Angstroms
sigma value = 53


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

Energy: 1.7217046305290258
Energy: 1.1774476704732375
Energy: 1.4082941583123523
Energy: 1.4064283757088323
Energy: 1.6001269624171126
Energy: 1.2548439723180573
Energy: 1.3854543793167104
Energy: 1.2548439723180573
Energy: 1.3876002596345893
Energy: 1.387445454604043
Energy: 1.3901728602776136
Energy: 1.3874454546019974
Energy: 1.3847607238872774
Energy: 1.257206701270406
Energy: 1.3826462473458898
Energy: 1.2572067012724517
Energy: 1.410752527896187
Energy: 1.2556921094828968
Energy: 1.154304712212557
Energy: 1.2556921094808513
Energy: 1.3841577727140326
Energy: 1.2589914935076179
Energy: 1.1548403653576924
Energy: 1.2589914935076179
Energy: 1.599508494935532
Energy: 1.383878671476402
Energy: 1.384035192725597
Energy: 1.383878671476402
Energy: 1.6020020135377897
Energy: 1.382168425062072
Energy: 1.3808297383804666
Energy: 1.3821684250641175
Energy: 1.384830624381399
Energy: 1.38605499944509
Energy: 1.392419484620847
Energy: 1.3860549994491809
Energy: 1.3822361423070448
Energy: 1.2581084826034532
Energy: 1.3876685300629517
Energy: 1.2581084826034532
Energy: 1.4097048308854832
Energy: 1.2604973388577443
Energy: 1.1776740905155307
Energy: 1.2604973388577443
Energy: 1.3841189793272959
Energy: 1.255175257205767
Energy: 1.153016820076701
Energy: 1.255175257205767
Energy: 1.6029974271820564
Energy: 1.382505670895869
Energy: 1.380195868831366
Energy: 1.382505670895869

minimum gb energy = 1.153016820076701 eV
minimum distance =  2.26051401426129 Angstroms
sigma value = 9


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

Energy: 1.684171346635677
Energy: 1.4357078661793001
Energy: 1.5755769647854707
Energy: 1.575980565507278
Energy: 1.3419863747007874
Energy: 1.2700759038229315
Energy: 1.557352402033265
Energy: 1.2700759038229315
Energy: 1.272662692324892
Energy: 1.2733014222114645
Energy: 1.562898324113175
Energy: 1.2733014222114645
Energy: 1.2741637229098919
Energy: 1.272187986596171
Energy: 1.6426791429210017
Energy: 1.272187986595414
Energy: 1.2728481457337728
Energy: 1.2695917220131812
Energy: 1.630902549827302
Energy: 1.2695917220146953
Energy: 1.270301387670369
Energy: 1.2702297265084204
Energy: 1.6339725066263155
Energy: 1.2702297265084204
Energy: 1.5486798464333071
Energy: 1.5304011622079956
Energy: 1.5487832631133513
Energy: 1.5304011622072387
Energy: 1.5463522717563107
Energy: 1.530808079222217
Energy: 1.5303649453388084
Energy: 1.530808079222217
Energy: 1.3498178909103737
Energy: 1.4385557788735333
Energy: 1.3570897608546035
Energy: 1.4385557788735333
Energy: 1.2609400922314091
Energy: 1.362753285103325
Energy: 1.5269608636633283
Energy: 1.362753285102568
Energy: 1.3484781613704382
Energy: 1.3496288834101808
Energy: 1.4506730184257102
Energy: 1.3496288834101808
Energy: 1.3555077058427958
Energy: 1.433429646587184
Energy: 1.626906197686864
Energy: 1.4334296465886982
Energy: 1.5451387112346526
Energy: 1.3499918178839811
Energy: 1.3621064019512135
Energy: 1.3499918178854953
Energy: 1.5474403843411806
Energy: 1.34901630837626
Energy: 1.3518626503836282
Energy: 1.349016308377017
Energy: 1.5303402304764568
Energy: 1.3671152771330932
Energy: 1.3536363232556328
Energy: 1.3671152771330932
Energy: 1.4517833006102807
Energy: 1.3672330786543254
Energy: 1.354602396896732
Energy: 1.3672330786581106
Energy: 1.5320848387482278
Energy: 1.2753021185408788
Energy: 1.3518632619553501
Energy: 1.2753021185416358
Energy: 1.5297324295088797
Energy: 1.528018118814997
Energy: 1.6821436611463172
Energy: 1.5280181188165114
Energy: 1.5544150920824837
Energy: 1.27066567397289
Energy: 1.264054938349068
Energy: 1.2706656739713762
Energy: 1.5672841074369028
Energy: 1.274059322751098
Energy: 1.2739456303289307
Energy: 1.274059322751098
Energy: 1.6449807975635824
Energy: 1.2713435336952978
Energy: 1.2704977256066516
Energy: 1.271343533694541
Energy: 1.6347564630398097
Energy: 1.2690815602830894
Energy: 1.2700193269590092
Energy: 1.2690815602815753
Energy: 1.630779163633615
Energy: 1.2707626879564018
Energy: 1.2705937871257464
Energy: 1.2707626879571587
Energy: 1.551667738010006
Energy: 1.5293387412276096
Energy: 1.5506467068158971
Energy: 1.5293387412276096
Energy: 1.5309998466078958
Energy: 1.5283363590219505
Energy: 1.5481320804046668
Energy: 1.5283363590227075
Energy: 1.3588527930578465
Energy: 1.518762843635421
Energy: 1.3496734852726386
Energy: 1.518762843636178
Energy: 1.5260044161559947
Energy: 1.3635700076882158
Energy: 1.260212564053947
Energy: 1.3635700076889727
Energy: 1.4505906614869846
Energy: 1.34957559451856
Energy: 1.3497263033914488
Energy: 1.34957559451856
Energy: 1.6269468986856142
Energy: 1.3507754644242065
Energy: 1.357846572166424
Energy: 1.3507754644226924
Energy: 1.3615693558855995
Energy: 1.3529733117145288
Energy: 1.5452128027567769
Energy: 1.3529733117130835
Energy: 1.3544478667245996
Energy: 1.3492354584466126
Energy: 1.5447758397373514
Energy: 1.3492354584466126
Energy: 1.3520822375059185
Energy: 1.3481946472128865
Energy: 1.5301872315790546
Energy: 1.3481946472128865
Energy: 1.3650523148506555
Energy: 1.3662626194674778
Energy: 1.4513148283102038
Energy: 1.366262619468235
Energy: 1.3506680865312117
Energy: 1.2742104717497051
Energy: 1.422669254544823
Energy: 1.2742104717504619
Energy: 1.6243412275006444
Energy: 1.5262397710007938
Energy: 1.532925672016113
Energy: 1.5262397709992792

minimum gb energy = 1.260212564053947 eV
minimum distance =  2.20877503886954 Angstroms
sigma value = 73


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

Energy: 1.5963028919680031
Energy: 1.3168089817147672
Energy: 1.4506804877989932
Energy: 1.4415113477004888
Energy: 1.4294555913046598
Energy: 1.2856291087707454
Energy: 1.443685235137018
Energy: 1.2856291087707454
Energy: 1.3088579674880068
Energy: 1.2838035105048498
Energy: 1.4284053930421683
Energy: 1.2838035105036485
Energy: 1.2825478110181614
Energy: 1.279767385331597
Energy: 1.6064567054284498
Energy: 1.279767385331597
Energy: 1.2806428657032716
Energy: 1.2798817976670056
Energy: 1.5888067568166886
Energy: 1.2798817976670056
Energy: 1.2806472478931106
Energy: 1.2798566786473442
Energy: 1.5868648403172276
Energy: 1.2798566786473442
Energy: 1.4304909298217625
Energy: 1.441567566750154
Energy: 1.433947012834978
Energy: 1.4415675667513548
Energy: 1.4278857896823312
Energy: 1.4422236649836915
Energy: 1.4416302142662494
Energy: 1.4422236649836915
Energy: 1.4417517952079337
Energy: 1.3841456193106867
Energy: 1.444913464290737
Energy: 1.3841456193106867
Energy: 1.2622744187151065
Energy: 1.3825333165008902
Energy: 1.4409945695903348
Energy: 1.382533316499689
Energy: 1.4463946653365622
Energy: 1.4431958947576358
Energy: 1.4299742467915553
Energy: 1.4431958947576358
Energy: 1.4328020322493944
Energy: 1.4420118855333444
Energy: 1.5773509229344067
Energy: 1.4420118855333444
Energy: 1.4321764598392948
Energy: 1.280555115416337
Energy: 1.2800559681690067
Energy: 1.280555115416337
Energy: 1.4270345232082144
Energy: 1.2809493100210907
Energy: 1.2814803145623872
Energy: 1.280949310022292
Energy: 1.6025155861375746
Energy: 1.2932737131944099
Energy: 1.2842987338586758
Energy: 1.2932737131944099
Energy: 1.5895441997961388
Energy: 1.2823275220530823
Energy: 1.282424539947109
Energy: 1.2823275220518808
Energy: 1.58119562637118
Energy: 1.2818086823011086
Energy: 1.2799769747219885
Energy: 1.2818086822999077
Energy: 1.4343278750420305
Energy: 1.4653268440709895
Energy: 1.4280546467005477
Energy: 1.4653268440709895
Energy: 1.4368979995156366
Energy: 1.3887828050097935
Energy: 1.428194940648991
Energy: 1.3887828050097935
Energy: 1.4378155493115534
Energy: 1.383720228739878
Energy: 1.4446307541375325
Energy: 1.3837202287410788
Energy: 1.4379911538690404
Energy: 1.3828042356475756
Energy: 1.2672623059124095
Energy: 1.3828042356463748
Energy: 1.5783755934043633
Energy: 1.4459340983917512
Energy: 1.4497951327521288
Energy: 1.4459340983917512

minimum gb energy = 1.2622744187151065 eV
minimum distance =  2.23132711917491 Angstroms
sigma value = 7


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

Energy: 2.12547670558302
Energy: 1.3056947865783477
Energy: 1.459672959379271
Energy: 1.4571034452380136
Energy: 1.434509402195772
Energy: 1.3002572361668971
Energy: 1.602113622949568
Energy: 1.3002572361677462
Energy: 1.3322749542733083
Energy: 1.3000716010841347
Energy: 1.4209555507002753
Energy: 1.300071601082436
Energy: 1.299973770522192
Energy: 1.2992165758704184
Energy: 1.596701553252901
Energy: 1.2992165758695686
Energy: 1.3206761644180953
Energy: 1.317023159778042
Energy: 1.539102707852505
Energy: 1.3170231597746447
Energy: 1.2989122829822544
Energy: 1.3169589848067276
Energy: 1.5402576453032282
Energy: 1.3169589848084264
Energy: 1.5409506133132405
Energy: 1.320177590676753
Energy: 1.2983077687936002
Energy: 1.3201775906699582
Energy: 1.5996764124374017
Energy: 1.3172489541845063
Energy: 1.3160356455468372
Energy: 1.3172489541853554
Energy: 1.5474281719811287
Energy: 1.2962861208739047
Energy: 1.2969814307087943
Energy: 1.2962861208662608
Energy: 1.5406823704464472
Energy: 1.32376549167613
Energy: 1.3174721642908611
Energy: 1.323765491673582
Energy: 1.5991423770202502
Energy: 1.4504092874488104
Energy: 1.4146377012613174
Energy: 1.4504092874488104
Energy: 1.4507620953644969
Energy: 1.4500079453659471
Energy: 1.5379646766417943
Energy: 1.4500079453701937
Energy: 1.4472134962029937
Energy: 1.3895589713316088
Energy: 1.4596052869173868
Energy: 1.3895589713307595
Energy: 1.4259208409375876
Energy: 1.3873832231893395
Energy: 1.3069873732151251
Energy: 1.3873832231884904
Energy: 1.4600115919926142
Energy: 1.3893988146933796
Energy: 1.3467180438559785
Energy: 1.3893988146942289
Energy: 1.5368034359135656
Energy: 1.4507454947447218
Energy: 1.450384015380385
Energy: 1.4507454947464202
Energy: 1.6163879686274514
Energy: 1.4545214648230989
Energy: 1.609845787733373
Energy: 1.4545214648230989
Energy: 1.3180388095530737
Energy: 1.3255548838799227
Energy: 1.4196074935700658
Energy: 1.3255548838739772
Energy: 1.2923993079988554
Energy: 1.296911897047224
Energy: 1.548363958289241
Energy: 1.296911897044676
Energy: 1.3164884266781118
Energy: 1.3170772536471584
Energy: 1.533880958699003
Energy: 1.3170772536497064
Energy: 1.2991457956741206
Energy: 1.319800013401522
Energy: 1.538355832787291
Energy: 1.3198000134006729
Energy: 1.6005239855988156
Energy: 1.3173666905409027
Energy: 1.3022417887237805
Energy: 1.3173666905426014
Energy: 1.5400204688922392
Energy: 1.3178264349501152
Energy: 1.316488782104408
Energy: 1.317826434949266
Energy: 1.5961021332293992
Energy: 1.2990035340856225
Energy: 1.299727026173599
Energy: 1.2990035340822255
Energy: 1.542236977659709
Energy: 1.3000033005820955
Energy: 1.3155137868478886
Energy: 1.3000033005854927
Energy: 1.5554042588018988
Energy: 1.2987748959587082
Energy: 1.319110610758992
Energy: 1.2987748959587082
Energy: 1.4447752077420364
Energy: 1.4429812379376548
Energy: 1.830595225929329
Energy: 1.4429812379342575
Energy: 1.4508889962673661
Energy: 1.4091002287384955
Energy: 1.320081874613895
Energy: 1.409100228735098
Energy: 1.4248358975787616
Energy: 1.391341221099341
Energy: 1.436862732617907
Energy: 1.3913412210976421
Energy: 1.4565245210679276
Energy: 1.3910495883457286
Energy: 1.3063401911968022
Energy: 1.3910495883474272
Energy: 1.5306305341726956
Energy: 1.4493626528750565
Energy: 1.4492678921453988
Energy: 1.4493626528750565

minimum gb energy = 1.2923993079988554 eV
minimum distance =  2.18690391225194 Angstroms
sigma value = 29


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

Energy: 1.2041061552534384
Energy: 1.2081412686272635
Energy: 1.2587582675622304
Energy: 1.3269758700312582
Energy: 1.2127092221588094
Energy: 1.3908893606123582
Energy: 1.2630597767806606
Energy: 1.3908893606120623
Energy: 1.253782906240189
Energy: 1.3248006493652351
Energy: 1.2147088757160702
Energy: 1.32480064936438
Energy: 1.2120266491008036
Energy: 1.2371188432661238
Energy: 1.2525557142584434
Energy: 1.2371188432664197
Energy: 1.2502861560677243
Energy: 1.242851455041959
Energy: 1.211230434913479
Energy: 1.2428514550402496
Energy: 1.2479565859031527
Energy: 1.334061936903529
Energy: 1.2131943985301208
Energy: 1.334061936903529
Energy: 1.2151409458442732
Energy: 1.326209690095454
Energy: 1.2549447410581052
Energy: 1.3262096900951914
Energy: 1.2619338182608808
Energy: 1.2649252230371937
Energy: 1.2116586280123454
Energy: 1.264925223038048
Energy: 1.2115749075773083
Energy: 1.2537365936567777
Energy: 1.276868509563118
Energy: 1.253736593656219

minimum gb energy = 1.2041061552534384 eV
minimum distance =  2.24242359024243 Angstroms
sigma value = 5


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

Energy: 1.8314669795942542
Energy: 1.211538219668077
Energy: 1.4692314861159195
Energy: 1.2331510133397114
Energy: 1.4865336815202237
Energy: 1.2336582668425495
Energy: 1.4565002447066722
Energy: 1.2336582668449563
Energy: 1.452609240597661
Energy: 1.340752926536118
Energy: 1.45637137092214
Energy: 1.340752926536118
Energy: 1.3579809383628867
Energy: 1.33860612817057
Energy: 1.4056266990455166
Energy: 1.33860612817057
Energy: 1.4216111565506644
Energy: 1.2294203504251004
Energy: 1.3622968160921693
Energy: 1.2294203504202867
Energy: 1.2313827880189951
Energy: 1.236459214864576
Energy: 1.3644459353211964
Energy: 1.2364592148669828
Energy: 1.2286750067413224
Energy: 1.228662974429535
Energy: 1.40618087440044
Energy: 1.2286629744263258
Energy: 1.232509478960214
Energy: 1.235488277057011
Energy: 1.5587926294119372
Energy: 1.2354882770586157
Energy: 1.500340880386186
Energy: 1.2904992865536558
Energy: 1.5505704717673412
Energy: 1.290499286552051
Energy: 1.5811665759766458
Energy: 1.2154116098138457
Energy: 1.224891546673329
Energy: 1.2154116098122407
Energy: 1.4939108898704023
Energy: 1.2118975921523576
Energy: 1.2166590748941817
Energy: 1.2118975921531598
Energy: 1.5611797176080178
Energy: 1.2193527172158731
Energy: 1.211451172151546
Energy: 1.2193527172174776
Energy: 1.558599495244436
Energy: 1.2119910986092315
Energy: 1.3019904187114808
Energy: 1.2119910986092315
Energy: 1.384817480085768
Energy: 1.200400632058763
Energy: 1.55610069117436
Energy: 1.200400632057158
Energy: 1.3116709883826676
Energy: 1.1945632469696117
Energy: 1.554524692424027
Energy: 1.1945632469736234
Energy: 1.3154724962483186
Energy: 1.1973561625314815
Energy: 1.4636823925188387
Energy: 1.1973561625346907
Energy: 1.30415871442736
Energy: 1.1975726834879503
Energy: 1.2444271237324607
Energy: 1.197572683489555
Energy: 1.519215181725426
Energy: 1.2018602121735413
Energy: 1.337910436927117
Energy: 1.2018602121719366
Energy: 1.5336415423457828
Energy: 1.3079804971125446
Energy: 1.247437822365045
Energy: 1.3079804971117421
Energy: 1.459993253367426
Energy: 1.394458993154978
Energy: 1.3572650171681135
Energy: 1.3944589931589892
Energy: 1.3729933992168577
Energy: 1.2631073205377075
Energy: 1.251228553338618
Energy: 1.2631073205369052
Energy: 1.3606310219414164
Energy: 1.2351460953772826
Energy: 1.2355873472240648
Energy: 1.2351460953724687
Energy: 1.531469406597468
Energy: 1.2359201312494745
Energy: 1.2387587095773231
Energy: 1.2359201312478703
Energy: 1.5613970197757838
Energy: 1.2396666600158754
Energy: 1.237590861286628
Energy: 1.2396666600166777
Energy: 1.5638009809857765
Energy: 1.3751520607366918
Energy: 1.25809541926555
Energy: 1.3751520607350873
Energy: 1.224655677597584
Energy: 1.2103646269002546
Energy: 1.5810953695132999
Energy: 1.210364626901057
Energy: 1.213734566772915
Energy: 1.2076431149903408
Energy: 1.4139433497164065
Energy: 1.2076431149887363
Energy: 1.219624233533891
Energy: 1.20978762711033
Energy: 1.3305624396791118
Energy: 1.2097876271111325
Energy: 1.3110824665818992
Energy: 1.2071223455155882
Energy: 1.5615905167958548
Energy: 1.2071223455171929
Energy: 1.5550836841817877
Energy: 1.28402605399314
Energy: 1.2548649527936873
Energy: 1.2840260539947448
Energy: 1.5553747860281584
Energy: 1.2303211261606017
Energy: 1.2336783200698138
Energy: 1.2303211261589972
Energy: 1.4028092097546887
Energy: 1.2305918742056552
Energy: 1.2328420314019846
Energy: 1.230591874202446
Energy: 1.2368543570715427
Energy: 1.2279882576418306
Energy: 1.2278818967084766
Energy: 1.2279882576418306

minimum gb energy = 1.1945632469696117 eV
minimum distance =  2.19947441958629 Angstroms
sigma value = 1


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

Energy: 1.8130026563368988
Energy: 1.1402753182938696
Energy: 1.42876932931657
Energy: 1.1717796424001092
Energy: 1.2166720282251375
Energy: 1.1756284147948421
Energy: 1.440215873931867
Energy: 1.1756284147959515
Energy: 1.438470993702866
Energy: 1.3119248172545417
Energy: 1.4433042658261992
Energy: 1.3119248172567601
Energy: 1.1928264863713687
Energy: 1.3131095370091648
Energy: 1.417798823985819
Energy: 1.3131095370091648
Energy: 1.1710744228985441
Energy: 1.1694187282788069
Energy: 1.4315059732387592
Energy: 1.1694187282776976
Energy: 1.1703139718547362
Energy: 1.1743126850964682
Energy: 1.4323909454939625
Energy: 1.1743126850964682
Energy: 1.1665808447215367
Energy: 1.168454373584045
Energy: 1.420575340018102
Energy: 1.1684543735818262
Energy: 1.1750080692407576
Energy: 1.177797998145693
Energy: 1.630665817364504
Energy: 1.1777979981479116
Energy: 1.4700061595779221
Energy: 1.2569616498153529
Energy: 1.631519681840075
Energy: 1.2569616498131344
Energy: 1.5010002001099294
Energy: 1.1828860413671738
Energy: 1.1779359867498038
Energy: 1.1828860413682831
Energy: 1.4215474234409702
Energy: 1.1685309545653255
Energy: 1.1667442233439298
Energy: 1.1685309545653255
Energy: 1.6235826959968143
Energy: 1.184465814212017
Energy: 1.1711479520426942
Energy: 1.184465814212017
Energy: 1.62798187300013
Energy: 1.1696851969942843
Energy: 1.1691493060398406
Energy: 1.1696851969953936
Energy: 1.4172429161114326
Energy: 1.3119542074403452
Energy: 1.4418810025668054
Energy: 1.3119542074414543
Energy: 1.1924108008340897
Energy: 1.3104815346457859
Energy: 1.438647315500072
Energy: 1.3104815346435674
Energy: 1.192225069752482
Energy: 1.1730121702936043
Energy: 1.420030831207734
Energy: 1.1730121702924952
Energy: 1.17178437666079
Energy: 1.1722853379921538
Energy: 1.4610017850081007
Energy: 1.1722853379921538
Energy: 1.1854130928201267
Energy: 1.1808832090311803
Energy: 1.4589616998108421
Energy: 1.1808832090322896
Energy: 1.1670393160420809
Energy: 1.170409063905703
Energy: 1.6316284267540968
Energy: 1.1704090639034845
Energy: 1.1742372519134774
Energy: 1.1832288552869559
Energy: 1.6296095126818368
Energy: 1.1832288552858468
Energy: 1.4330801003870155
Energy: 1.2476035166479431
Energy: 1.4195775216899131
Energy: 1.247603516644615
Energy: 1.4605492713129993
Energy: 1.1730525953520854
Energy: 1.176163706578153
Energy: 1.173052595350976
Energy: 1.4192073105207623
Energy: 1.169028715155502
Energy: 1.1708853794597265
Energy: 1.1690287151566112
Energy: 1.623068599681199
Energy: 1.169917633895282
Energy: 1.1686618740159542
Energy: 1.1699176338975006

minimum gb energy = 1.1402753182938696 eV
minimum distance =  2.21144337658542 Angstroms
sigma value = 17


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

Energy: 1.9435136220444913
Energy: 1.138389164402686
Energy: 1.429461626306144
Energy: 1.162802929623626
Energy: 1.1719190864733924
Energy: 1.1602139015879334
Energy: 1.3581819244815792
Energy: 1.1602139015879334
Energy: 1.5277289093636601
Energy: 1.1556986727150853
Energy: 1.3552059084874184
Energy: 1.1556986727137137
Energy: 1.528876402309702
Energy: 1.2345918796495674
Energy: 1.3119684404344547
Energy: 1.2345918796475106
Energy: 1.294981679520647
Energy: 1.1390219145969216
Energy: 1.534060914338406
Energy: 1.139021914598293
Energy: 1.1395896517712072
Energy: 1.138389047400736
Energy: 1.4931696023782817
Energy: 1.138389047400736
Energy: 1.1403676353543548
Energy: 1.1382588516062855
Energy: 1.1762254720953176
Energy: 1.1382588516056
Energy: 1.1526722313689228
Energy: 1.141234811392239
Energy: 1.5015740299097358
Energy: 1.1412348113915534
Energy: 1.490387798107196
Energy: 1.1422209574285687
Energy: 1.4533130770928067
Energy: 1.1422209574299398
Energy: 1.3589965492408722
Energy: 1.2348568875801604
Energy: 1.326822542754869
Energy: 1.2348568875822172
Energy: 1.484642892607463
Energy: 1.15624420516685
Energy: 1.170158500143393
Energy: 1.1562442051675355
Energy: 1.4922654181184423
Energy: 1.1648364716936266
Energy: 1.31222111631396
Energy: 1.1648364716936266
Energy: 1.480520331300342
Energy: 1.1566103884445829
Energy: 1.1575913303398664
Energy: 1.1566103884432115
Energy: 1.342731407752228
Energy: 1.156432489377056
Energy: 1.1600523084858285
Energy: 1.156432489377056
Energy: 1.5234320715864675
Energy: 1.1597424078759095
Energy: 1.1643486825299136
Energy: 1.1597424078759095
Energy: 1.503782651296717
Energy: 1.1581632665428014
Energy: 1.34506691783576
Energy: 1.158163266544858
Energy: 1.1583923923489574
Energy: 1.3007956334370971
Energy: 1.5251764424820147
Energy: 1.3007956334384685
Energy: 1.1577171887234616
Energy: 1.1569157833172132
Energy: 1.4919519497992393
Energy: 1.1569157833165276
Energy: 1.1706055387972412
Energy: 1.1598305082640572
Energy: 1.4500419603595252
Energy: 1.1598305082640572
Energy: 1.158494030637669
Energy: 1.155868041818069
Energy: 1.5033502537113448
Energy: 1.1558680418173832
Energy: 1.3535113863146544
Energy: 1.158493785112089
Energy: 1.1702124570937777
Energy: 1.1584937851127746
Energy: 1.3550836458856095
Energy: 1.1630264987587795
Energy: 1.523571186552904
Energy: 1.1630264987567225
Energy: 1.174275822103981
Energy: 1.23091365685056
Energy: 1.526096499838581
Energy: 1.2309136568512458
Energy: 1.535794959702169
Energy: 1.1403460951795608
Energy: 1.2935604862366676
Energy: 1.1403460951781894
Energy: 1.4770004429610093
Energy: 1.1375477553049105
Energy: 1.1374584532347705
Energy: 1.1375477553049105
Energy: 1.3543332967314292
Energy: 1.1397386375601035
Energy: 1.1471686910969188
Energy: 1.1397386375601035
Energy: 1.5027246124789084
Energy: 1.1426448007799952
Energy: 1.146995039733787
Energy: 1.1426448007799952
Energy: 1.315699699141794
Energy: 1.1416251236074642
Energy: 1.4960550976369138
Energy: 1.1416251236060928
Energy: 1.3258724669535669
Energy: 1.2353579443701943
Energy: 1.3529224295810354
Energy: 1.2353579443701943
Energy: 1.1723050916872864
Energy: 1.1555974940537044
Energy: 1.4813979541900968
Energy: 1.155597494053019
Energy: 1.3121466569175158
Energy: 1.1556917115326353
Energy: 1.5229777619938771
Energy: 1.1556917115340066
Energy: 1.1560693353852205
Energy: 1.1564288332853994
Energy: 1.5231813622933166
Energy: 1.1564288332833423
Energy: 1.156078933348215
Energy: 1.1548848406387673
Energy: 1.344167249399915
Energy: 1.1548848406380816
Energy: 1.1699183588373272
Energy: 1.1595269323552555
Energy: 1.5274131589801763
Energy: 1.1595269323566268
Energy: 1.3481078026820168
Energy: 1.2076308589319613
Energy: 1.5041842777411192
Energy: 1.2076308589312756
Energy: 1.746372316008559
Energy: 1.162756590300008
Energy: 1.161452553927358
Energy: 1.162756590300008
Energy: 1.4855895659748328
Energy: 1.1559219956886375
Energy: 1.1576105556097143
Energy: 1.1559219956893234
Energy: 1.500531941663303
Energy: 1.163638773134884
Energy: 1.1575113265322812
Energy: 1.1636387731341986

minimum gb energy = 1.1374584532347705 eV
minimum distance =  2.21040594472502 Angstroms
sigma value = 89


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

Energy: 2.0701286216950683
Energy: 1.114018184185962
Energy: 1.0634950077814855
Energy: 1.0623050720993827
Energy: 1.0559851682860641
Energy: 1.1819719663720745
Energy: 1.0621262297120309
Energy: 1.1819719663720745
Energy: 1.0487524579015293
Energy: 1.1828193306764385
Energy: 1.0966571915319363
Energy: 1.1828193306782324
Energy: 1.049534303502945
Energy: 1.1849164191974106
Energy: 1.0611399372864883
Energy: 1.1849164191992048
Energy: 1.059462867033019
Energy: 1.0610518566572709
Energy: 1.084127933742588
Energy: 1.0610518566572709
Energy: 1.0590072741918857
Energy: 1.06000380066033
Energy: 1.0833665210806258
Energy: 1.06000380066033
Energy: 1.0586448103198962
Energy: 1.0576397268419933
Energy: 1.0620871314671365
Energy: 1.0576397268419933
Energy: 1.0612564233591557
Energy: 1.0622291452105137
Energy: 1.048108333574397
Energy: 1.0622291452105137
Energy: 1.0625276453511128
Energy: 1.0634738997935702
Energy: 1.0476877113006071
Energy: 1.0634738997935702
Energy: 1.097242889009074
Energy: 1.1838082601419357
Energy: 1.095537250823019
Energy: 1.1838082601401416
Energy: 1.0618146259739198
Energy: 1.183466403291383
Energy: 1.0470693575091128
Energy: 1.183466403291383
Energy: 1.0831949662253388
Energy: 1.0601979792689271
Energy: 1.062191345919292
Energy: 1.0601979792689271
Energy: 1.0839656196655436
Energy: 1.063201580974145
Energy: 1.061884764459013
Energy: 1.063201580974145
Energy: 1.062137092517828
Energy: 1.0573434357968226
Energy: 1.0568200298646342
Energy: 1.0573434357968226
Energy: 1.0478215514472213
Energy: 1.0617991342981747
Energy: 1.0613681558102874
Energy: 1.0617991342963808

minimum gb energy = 1.0470693575091128 eV
minimum distance =  2.2338537853438 Angstroms
sigma value = 13


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

Energy: 1.944473376741957
Energy: 1.0294967480145167
Energy: 1.0217622583273236
Energy: 1.0218467231302693
Energy: 1.1499834979626928
Energy: 1.0181924082208995
Energy: 1.234710141328148
Energy: 1.0181924082141323
Energy: 1.2453108933202062
Energy: 1.0158695899215808
Energy: 1.2188026312008837
Energy: 1.015869589922333
Energy: 1.4822056232518535
Energy: 1.0200372358823533
Energy: 1.2155742631235948
Energy: 1.0200372358852927
Energy: 1.401056076083671
Energy: 1.212144766598522
Energy: 1.4929806735176518
Energy: 1.2121447666007779
Energy: 1.2214406118505
Energy: 1.0194627341820115
Energy: 1.618091462049944
Energy: 1.0194627341865232
Energy: 1.217416081804078
Energy: 1.0186813613579666
Energy: 1.2210699481550276
Energy: 1.0186813613557109
Energy: 1.1570421050260684
Energy: 1.0209790488821733
Energy: 1.3722308532575567
Energy: 1.0209790488791655
Energy: 1.0561743070453724
Energy: 1.022350470589272
Energy: 1.1729150504951658
Energy: 1.0223504705877684
Energy: 1.0218615145653707
Energy: 1.0184375650290876
Energy: 1.3955138533660176
Energy: 1.0184375650298394
Energy: 1.0197259238461958
Energy: 1.0280455865384936
Energy: 1.9459357531006798
Energy: 1.0280455865422535
Energy: 1.2358434198697807
Energy: 1.0908814967833378
Energy: 1.396856798162104
Energy: 1.090881496782586
Energy: 1.2342653111510187
Energy: 1.2161626169712576
Energy: 1.2389826379258855
Energy: 1.2161626169674982
Energy: 1.327318560364259
Energy: 1.2155750261029878
Energy: 1.4828217994656272
Energy: 1.2155750261074996
Energy: 1.37307893731268
Energy: 1.0045408435853531
Energy: 1.321882023568757
Energy: 1.0045408435853531
Energy: 1.3734885499527951
Energy: 1.0029024997218965
Energy: 1.1067679210779857
Energy: 1.0029024997234004
Energy: 1.4243305135999198
Energy: 1.0016762647887751
Energy: 1.103211545139091
Energy: 1.001676264789527
Energy: 1.421834315879242
Energy: 1.0069704628422609
Energy: 1.0901269288876179
Energy: 1.0069704628467726
Energy: 1.349833912675145
Energy: 1.005101748485948
Energy: 1.2652387359643091
Energy: 1.0051017484874516
Energy: 1.4279854778545127
Energy: 1.0058004921345216
Energy: 1.3150967511904654
Energy: 1.0058004921352737
Energy: 1.5124937817827764
Energy: 1.0089244713635415
Energy: 1.2674306232158865
Energy: 1.0089244713657972
Energy: 1.428514437706635
Energy: 1.0199577829049535
Energy: 1.6163741135571061
Energy: 1.0199577829124045
Energy: 1.2166075402025156
Energy: 1.0212608881738292
Energy: 1.4923238920928836
Energy: 1.0212608881745813
Energy: 1.1163907608680974
Energy: 1.0192788002198327
Energy: 1.2299777367547724
Energy: 1.0192788002190807
Energy: 1.1240853836724676
Energy: 1.0197859776446931
Energy: 1.3724438569889117
Energy: 1.019785977646197
Energy: 1.0197673062700596
Energy: 1.018329711202935
Energy: 1.3729780699482197
Energy: 1.018329711203687
Energy: 1.0168479189476192
Energy: 1.0163182217543258
Energy: 1.2280461564457619
Energy: 1.0163182217513183
Energy: 1.0181978406142207
Energy: 1.0237684017672586
Energy: 1.2452891901765752
Energy: 1.0237684017680104
Energy: 1.2063892242855339
Energy: 1.0205854465760855
Energy: 1.3196232829594816
Energy: 1.020585446580597
Energy: 1.3110404829526414
Energy: 1.0948113129759096
Energy: 1.4129151253227308
Energy: 1.094811312981173
Energy: 1.4159552748680024
Energy: 1.1008450712190143
Energy: 1.5145522667814728
Energy: 1.1008450712220221
Energy: 1.3732627981205558
Energy: 1.0174699653227095
Energy: 1.3844632962784271
Energy: 1.0174699653227095
Energy: 1.37283982610969
Energy: 1.0192051836835943
Energy: 1.0293890548843176
Energy: 1.019205183678331
Energy: 1.421258211253634
Energy: 1.014114359432133
Energy: 1.0148007913986639
Energy: 1.0141143594389004
Energy: 1.348245015545005
Energy: 1.0167650598545128
Energy: 1.0233823246702465
Energy: 1.0167650598740627

minimum gb energy = 1.0016762647887751 eV
minimum distance =  2.21411157015945 Angstroms
sigma value = 37


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

Energy: 1.7948111441058663
Energy: 0.9765002843567286
Energy: 0.9580368380193788
Energy: 0.9545163503166378
Energy: 1.418740560611698
Energy: 0.9561600151330907
Energy: 1.269429371010617
Energy: 0.9561600151330907
Energy: 1.4215625859295722
Energy: 0.9542879292749211
Energy: 1.2667537808938854
Energy: 0.9542879292749211
Energy: 1.4192206155712601
Energy: 1.0854157007256104
Energy: 1.2461664736943578
Energy: 1.0854157007243168
Energy: 1.54185373481283
Energy: 0.9410770456164006
Energy: 1.404063490106865
Energy: 0.9410770456176942
Energy: 1.1004405887952828
Energy: 0.9410990051409972
Energy: 1.4272278021753981
Energy: 0.9410990051384098
Energy: 1.1001201784692427
Energy: 0.9403024641119617
Energy: 1.5416045622199548
Energy: 0.9403024641132554
Energy: 1.2252764634182443
Energy: 0.9254369530719916
Energy: 1.4403542830780496
Energy: 0.9254369530706978
Energy: 1.0814676245943715
Energy: 0.9316576759717179
Energy: 1.4399306014495266
Energy: 0.9316576759730115
Energy: 1.0803820251542546
Energy: 0.9215369195957579
Energy: 1.533444424804704
Energy: 0.9215369195957579
Energy: 1.1467885327611818
Energy: 1.1458669831805979
Energy: 1.6011569485939166
Energy: 1.1458669831793042
Energy: 1.386188417397861
Energy: 0.9212483935980201
Energy: 1.533611787562231
Energy: 0.9212483935980201
Energy: 1.3858975786411745
Energy: 0.9209936990778773
Energy: 1.420977194302172
Energy: 0.92099369907529
Energy: 1.543209396039079
Energy: 1.0482662512307064
Energy: 1.4183233151423034
Energy: 1.0482662512268255
Energy: 1.4040634901081586
Energy: 1.0711921460512193
Energy: 1.5338922983750716
Energy: 1.0711921460512193
Energy: 1.4272278021766915
Energy: 1.0704061821919404
Energy: 1.1003249790322533
Energy: 1.0704061821906465
Energy: 1.5432129251829627
Energy: 1.070395254935868
Energy: 1.1011626733294946
Energy: 1.070395254935868
Energy: 1.4403542830729041
Energy: 0.9541072070823876
Energy: 0.9247723539215
Energy: 0.9541072070810939
Energy: 1.4399306014508202
Energy: 0.9538664895845707
Energy: 0.9554972878809322
Energy: 0.9538664895858643
Energy: 1.4182944064698593
Energy: 0.9561262124279009
Energy: 0.955392801152995
Energy: 0.9561262124266072

minimum gb energy = 0.92099369907529 eV
minimum distance =  2.2199984292356 Angstroms
sigma value = 25


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

Energy: 1.9174188782973947
Energy: 0.8963427823557276
Energy: 0.8370404506819138
Energy: 0.834134396195218
Energy: 1.7421622370669303
Energy: 0.8348999098314326
Energy: 1.0904321925949343
Energy: 0.8348999098314326
Energy: 1.7448363796884392
Energy: 0.8335882141326729
Energy: 1.087810386874734
Energy: 0.8335882141316627
Energy: 1.3481540242131658
Energy: 0.8394799213838917
Energy: 1.3486844146200865
Energy: 0.8394799213838917
Energy: 1.7552769906978338
Energy: 0.9375397770103708
Energy: 1.5421483534549647
Energy: 0.9375397770093606
Energy: 1.3309604961800556
Energy: 0.9364114759969332
Energy: 1.5414548164552322
Energy: 0.9364114759969332
Energy: 1.333419439715417
Energy: 0.9379904995844743
Energy: 1.5436494101067504
Energy: 0.9379904995834643
Energy: 1.349995622087583
Energy: 0.8393247490111724
Energy: 1.5362512300675986
Energy: 0.8393247490111724
Energy: 1.0876295573422436
Energy: 0.833455218527061
Energy: 1.5471751514496654
Energy: 0.833455218527061
Energy: 1.0906095877248365
Energy: 0.8348948271656446
Energy: 1.7606735503692124
Energy: 0.8348948271666549
Energy: 0.8350335957419284
Energy: 0.836547755483552
Energy: 1.6304113242752931
Energy: 0.836547755483552
Energy: 0.840875303768351
Energy: 0.834481870618452
Energy: 1.7606142875162742
Energy: 0.834481870618452
Energy: 0.8364852041254665
Energy: 0.8379998212037433
Energy: 1.3306655171650863
Energy: 0.8379998212047535
Energy: 1.0830564492386532
Energy: 0.8340419208044048
Energy: 1.7367378703736196
Energy: 0.8340419208044048
Energy: 1.0877090479782057
Energy: 0.8332537817147916
Energy: 1.7538540848580773
Energy: 0.8332537817137815
Energy: 1.0914945639612936
Energy: 0.8351871261975998
Energy: 1.7479176284939408
Energy: 0.8351871261965896
Energy: 1.5447975752520693
Energy: 0.8359993555465312
Energy: 1.7431538119030892
Energy: 0.8359993555485516
Energy: 1.0902878144713668
Energy: 0.942125745329099
Energy: 1.5430568212402118
Energy: 0.9421257453280889
Energy: 1.5412897342008063
Energy: 0.9376641793829011
Energy: 1.333949438541221
Energy: 0.937664179381891
Energy: 1.7577365775908629
Energy: 0.936736163362936
Energy: 1.3309433281121723
Energy: 0.9367361633639463
Energy: 1.632812675925437
Energy: 0.8339013446876143
Energy: 1.0885549141644273
Energy: 0.8339013446876143
Energy: 1.757438331636523
Energy: 0.8325609797186008
Energy: 0.8343049237185634
Energy: 0.8325609797175905
Energy: 1.7463109056111878
Energy: 0.8376399469292454
Energy: 1.083281225757986
Energy: 0.8376399469302557
Energy: 1.5513536159763017
Energy: 0.8340909680656797
Energy: 0.8342377127541148
Energy: 0.8340909680666898
Energy: 1.7545953715370632
Energy: 0.8327129587812528
Energy: 0.834614003419411
Energy: 0.8327129587802428
Energy: 1.7430718496615498
Energy: 0.8359224493835584
Energy: 0.835267044654862
Energy: 0.8359224493855787

minimum gb energy = 0.8325609797175905 eV
minimum distance =  2.24054474685043 Angstroms
sigma value = 41


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

Energy: 2.116887369041787
Energy: 0.8179054889916386
Energy: 1.1454982149308854
Energy: 0.7681611366878158
Energy: 1.5427794828151047
Energy: 0.7649131220986692
Energy: 0.9779461213790707
Energy: 0.7649131220986692
Energy: 1.8838853440569223
Energy: 0.7629082654342279
Energy: 0.9789685977848933
Energy: 0.7629082654350561
Energy: 1.5326326719527397
Energy: 0.7701417271172312
Energy: 1.360267196170804
Energy: 0.7701417271155748
Energy: 1.5517945696666464
Energy: 0.7617938619941388
Energy: 1.3656227150915843
Energy: 0.7617938619916542
Energy: 1.536801594420826
Energy: 0.7645577098675316
Energy: 1.3607205922026036
Energy: 0.7645577098683598
Energy: 1.5427203788811132
Energy: 0.8515195316972538
Energy: 1.555787740605797
Energy: 0.8515195316980819
Energy: 1.3620248324598656
Energy: 0.8536878767361411
Energy: 1.3663078979796608
Energy: 0.8536878767353129
Energy: 1.1807195662222785
Energy: 0.7630053788028842
Energy: 1.711894708383631
Energy: 0.7630053788037123
Energy: 1.180403505318246
Energy: 0.7616281848388491
Energy: 1.713208235730277
Energy: 0.761628184838021
Energy: 0.9720381593510059
Energy: 0.7739146797290255
Energy: 1.7071722377466485
Energy: 0.7739146797298536
Energy: 0.9733397340126669
Energy: 0.7619209360612167
Energy: 1.714119782549283
Energy: 0.7619209360612167
Energy: 0.9723524530458477
Energy: 0.765664358594165
Energy: 1.7087498968533115
Energy: 0.7656643585933368
Energy: 0.7633693251758665
Energy: 0.7729063748336075
Energy: 1.7048807675348858
Energy: 0.7729063748344356
Energy: 0.7662368073716086
Energy: 0.763251617966045
Energy: 1.8871821903943014
Energy: 0.763251617966045
Energy: 0.7718122766012285
Energy: 0.7653597385390346
Energy: 1.8834910103591922
Energy: 0.7653597385390346
Energy: 0.9728166689486161
Energy: 0.7685050240497844
Energy: 1.8749319076005493
Energy: 0.7685050240506126
Energy: 0.9728824112521786
Energy: 0.7611148756086437
Energy: 1.8858576639846572
Energy: 0.7611148756069872
Energy: 0.979422931076286
Energy: 0.7668475386940996
Energy: 1.5385492517522419
Energy: 0.7668475386949278
Energy: 1.3655218617343612
Energy: 0.7646369638941526
Energy: 1.5361822640148153
Energy: 0.7646369638941526
Energy: 1.404809150180022
Energy: 0.7623887532728197
Energy: 1.712157997150167
Energy: 0.7623887532728197
Energy: 1.36650050464841
Energy: 0.848169178285383
Energy: 1.5456878521070772
Energy: 0.848169178285383
Energy: 1.7122740598406665
Energy: 0.8471219635458757
Energy: 1.5363164652635894
Energy: 0.847121963547532
Energy: 1.3664732466042329
Energy: 0.8496788086648944
Energy: 1.3640408972640734
Energy: 0.8496788086640662
Energy: 1.7154576203376806
Energy: 0.7627459499092913
Energy: 1.1768283791664116
Energy: 0.7627459499092913
Energy: 1.711276153454018
Energy: 0.7638793071274248
Energy: 1.3607176589485175
Energy: 0.7638793071315657
Energy: 1.7171508335280528
Energy: 0.7670906764731972
Energy: 0.9866026153177933
Energy: 0.7670906764740253
Energy: 1.8847189885546067
Energy: 0.7617441499478126
Energy: 0.9728411877478249
Energy: 0.7617441499486408
Energy: 1.7143450216274738
Energy: 0.7675982942912414
Energy: 0.980231894064533
Energy: 0.7675982942920695
Energy: 1.7100574817436214
Energy: 0.7660834297514756
Energy: 0.7641260689618755
Energy: 0.7660834297531319
Energy: 1.8857020225194838
Energy: 0.7628852367702413
Energy: 0.7650343137329869
Energy: 0.7628852367694131
Energy: 1.8743214625134854
Energy: 0.7714747239273018
Energy: 0.7640643668127173
Energy: 0.7714747239248172

minimum gb energy = 0.7611148756069872 eV
minimum distance =  2.24329509674189 Angstroms
sigma value = 15


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

Energy: 1.8302576263868213
Energy: 0.7282593858395873
Energy: 1.1063803832503007
Energy: 0.7119668385647935
Energy: 1.6825027451050967
Energy: 0.7102745904041271
Energy: 0.8934161816796077
Energy: 0.7102745904048287
Energy: 1.9804806651657163
Energy: 0.7089302129182191
Energy: 0.8928434427235664
Energy: 0.7089302129189207
Energy: 1.6960292834196296
Energy: 0.7144655238889399
Energy: 1.235998105435016
Energy: 0.7144655238889399
Energy: 1.6946698471015684
Energy: 0.7057903719243178
Energy: 1.2229043076758133
Energy: 0.7057903719257209
Energy: 1.683853497560601
Energy: 0.7073777313164024
Energy: 1.2213279978511076
Energy: 0.7073777313157008
Energy: 1.3780775939892314
Energy: 0.7073633489733248
Energy: 1.5367352097080873
Energy: 0.7073633489740264
Energy: 1.5430617837232126
Energy: 0.7859278676529977
Energy: 1.2187507925049768
Energy: 0.7859278676515945
Energy: 1.3748965290919726
Energy: 0.7798082106252833
Energy: 1.5292313243647113
Energy: 0.7798082106245818
Energy: 1.3735874214368484
Energy: 0.7798765858798841
Energy: 1.8296465350499387
Energy: 0.7798765858777794
Energy: 1.233426910687458
Energy: 0.7107456996250691
Energy: 1.528343000097397
Energy: 0.7107456996250691
Energy: 1.0641086387455156
Energy: 0.7060902564782496
Energy: 1.8294450297657423
Energy: 0.7060902564810561
Energy: 1.2234842079804238
Energy: 0.7073976639859383
Energy: 1.8301733520445942
Energy: 0.7073976639894463
Energy: 0.8900016595923336
Energy: 0.7141832462636333
Energy: 1.538999772345041
Energy: 0.7141832462580204
Energy: 0.883349797641943
Energy: 0.7065990940861039
Energy: 1.9795977587419376
Energy: 0.7065990940868055
Energy: 0.8930566599972152
Energy: 0.7104869306629695
Energy: 1.833506622632785
Energy: 0.710486930663671
Energy: 0.7262430963666148
Energy: 0.713033436476609
Energy: 1.8389966479285547
Energy: 0.7130334364745041
Energy: 0.7065704804398788
Energy: 0.7069459220011296
Energy: 1.9770291708674017
Energy: 0.7069459220025328
Energy: 0.7234460393437621
Energy: 0.711929257974455
Energy: 1.6868535831417717
Energy: 0.7119292579730521
Energy: 0.8951808395014638
Energy: 0.7101068330048818
Energy: 1.9839562482432493
Energy: 0.7101068330034784
Energy: 0.8792971485386353
Energy: 0.7065982434405002
Energy: 1.97825450615995
Energy: 0.7065982434405002
Energy: 0.8980617947778651
Energy: 0.7133134490911459
Energy: 1.6916847248555733
Energy: 0.7133134490911459
Energy: 1.2234972820987156
Energy: 0.7078494151938896
Energy: 1.6795115711954516
Energy: 0.7078494151945911
Energy: 1.2259031529579698
Energy: 0.706615304947942
Energy: 1.8318212003264522
Energy: 0.7066153049472405
Energy: 1.2310939342695368
Energy: 0.7103568479633718
Energy: 1.3845078131121282
Energy: 0.7103568479619686
Energy: 1.5300034125403188
Energy: 0.7792136258599136
Energy: 1.8321465833640227
Energy: 0.7792136258613166
Energy: 1.2218365818741388
Energy: 0.7799974812094805
Energy: 1.5312668906707179
Energy: 0.7799974812073758
Energy: 1.5393523147451076
Energy: 0.7862817282640602
Energy: 1.385834356829584
Energy: 0.7862817282633585
Energy: 1.5330000843921896
Energy: 0.707259101199504
Energy: 1.5351788820374421
Energy: 0.7072591011966977
Energy: 1.528842549295955
Energy: 0.7071466464555592
Energy: 1.22347447617726
Energy: 0.7071466464548577
Energy: 1.8416091854820347
Energy: 0.7059188854817401
Energy: 1.0643425926541357
Energy: 0.7059188854803369
Energy: 1.5373350928955125
Energy: 0.7132550204330304
Energy: 1.2336623858995155
Energy: 0.7132550204337319
Energy: 1.8308915729801192
Energy: 0.7090036641638617
Energy: 0.8946133443803367
Energy: 0.7090036641638617
Energy: 1.9839078348724348
Energy: 0.7095133778923863
Energy: 0.8929268687097113
Energy: 0.7095133778937894
Energy: 1.824452777415053
Energy: 0.7154165752288872
Energy: 0.7332209606505112
Energy: 0.7154165752169602
Energy: 1.8286907381834698
Energy: 0.7094998361632271
Energy: 0.7135765535916643
Energy: 0.7094998361639286
Energy: 1.976350393529666
Energy: 0.7100620548172025
Energy: 0.7117393731981504
Energy: 0.7100620548172025

minimum gb energy = 0.7057903719243178 eV
minimum distance =  2.23967544536926 Angstroms
sigma value = 85


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

Energy: 1.9609747235589878
Energy: 0.682232345499207
Energy: 0.6426457600015865
Energy: 0.6419206499852498
Energy: 1.771901644165629
Energy: 0.6443410286773371
Energy: 0.8027543737348778
Energy: 0.6443410286767287
Energy: 1.767780309178565
Energy: 0.6435904314114066
Energy: 0.8025670921259324
Energy: 0.6435904314107981
Energy: 1.4950796556901043
Energy: 0.6421344636544865
Energy: 1.0944759487509723
Energy: 0.6421344636544865
Energy: 1.7812155672272367
Energy: 0.641695471085003
Energy: 1.0946939617863825
Energy: 0.6416954710831774
Energy: 1.4978131546478326
Energy: 0.6428067838579635
Energy: 1.096944388353996
Energy: 0.6428067838573549
Energy: 1.496728458289648
Energy: 0.6433172353174849
Energy: 1.366712134470368
Energy: 0.6433172353168763
Energy: 1.6388989218044772
Energy: 0.6415058519982048
Energy: 1.0885182017375687
Energy: 0.6415058520018556
Energy: 1.504870839620164
Energy: 0.6427753177492885
Energy: 1.3690127553185507
Energy: 0.6427753177474632
Energy: 1.502592210035205
Energy: 0.7629571274418393
Energy: 1.6375726125581092
Energy: 0.7629571274418393
Energy: 1.3677096900283106
Energy: 0.7625158926177658
Energy: 1.3638644161550717
Energy: 0.7625158926420774
Energy: 1.2324127868937742
Energy: 0.6415405007022627
Energy: 1.6385973389388797
Energy: 0.6415405007022627
Energy: 1.3659592120945858
Energy: 0.6418630186066551
Energy: 1.6345723374535301
Energy: 0.641863018605438
Energy: 1.0947439356354989
Energy: 0.6438956981669323
Energy: 1.3607653762848482
Energy: 0.6438956981663239
Energy: 0.9433686843800496
Energy: 0.6418222289373505
Energy: 1.9013149899290904
Energy: 0.6418222289379591
Energy: 1.0942844813043726
Energy: 0.6447136752511838
Energy: 1.6343194527050409
Energy: 0.6447136752511838
Energy: 0.8013242431502897
Energy: 0.6421564514825383
Energy: 1.6311596140107758
Energy: 0.6421564514819298
Energy: 0.7928365325170101
Energy: 0.6419150127042335
Energy: 2.031951938333569
Energy: 0.6419150127042335
Energy: 0.7992183878884123
Energy: 0.6423025307553948
Energy: 1.8935274045188895
Energy: 0.6423025307553948
Energy: 0.6429132158407681
Energy: 0.6427717278856508
Energy: 1.8931940047174503
Energy: 0.6427717278874763
Energy: 0.6431963197734063
Energy: 0.6426124512089705
Energy: 2.032408252832856
Energy: 0.6426124512083621
Energy: 0.6422482977575249
Energy: 0.6421746353925831
Energy: 1.7630051009161087
Energy: 0.6421746353931915
Energy: 0.7993104571329513
Energy: 0.6447053218551093
Energy: 2.020373734955218
Energy: 0.6447053218551093
Energy: 0.798329615465019
Energy: 0.6419406325378456
Energy: 1.904055287416359
Energy: 0.6419406325378456
Energy: 0.7992858499500808
Energy: 0.6422154270392133
Energy: 1.495394626909627
Energy: 0.6422154270392133
Energy: 1.0957080069109044
Energy: 0.6425791357193187
Energy: 2.0258617490538118
Energy: 0.6425791357193187
Energy: 1.0938125699542665
Energy: 0.6419539780254202
Energy: 1.7701785978564495
Energy: 0.6419539780254202
Energy: 1.264487869454125
Energy: 0.6446073823171303
Energy: 1.4976571206885394
Energy: 0.6446073823183474
Energy: 1.3693827060394035
Energy: 0.6417952695103677
Energy: 1.7821069876912616
Energy: 0.6417952695085422
Energy: 1.3659919958449438
Energy: 0.6429415853300174
Energy: 1.5002447283748799
Energy: 0.6429415853294089
Energy: 1.638248166849612
Energy: 0.7637699210909654
Energy: 1.2297726697619173
Energy: 0.7637699210885315
Energy: 1.3633022057628543
Energy: 0.7634302302595521
Energy: 1.6406381281569964
Energy: 0.7634302302601608
Energy: 1.6376577681570212
Energy: 0.6428820817800178
Energy: 1.2273189513902083
Energy: 0.6428820817806263
Energy: 1.9013101264128847
Energy: 0.6415932073837745
Energy: 1.227990849339674
Energy: 0.6415932073843831
Energy: 1.3613285788930445
Energy: 0.6447707253027587
Energy: 1.094913248784577
Energy: 0.6447707253027587
Energy: 1.9019903842444
Energy: 0.6420371564794192
Energy: 1.0944911272220832
Energy: 0.6420371564788108
Energy: 1.8994540067347505
Energy: 0.6425722586072953
Energy: 1.095454379761883
Energy: 0.6425722586066867
Energy: 1.6318021071058282
Energy: 0.6419571601932323
Energy: 0.8015463251890449
Energy: 0.6419571601938409
Energy: 2.0356062342091916
Energy: 0.6416994651861447
Energy: 0.7981870874232017
Energy: 0.6416994651861447
Energy: 1.89296118460609
Energy: 0.6423977854721763
Energy: 0.8010254521163271
Energy: 0.6423977854715678
Energy: 1.6293138358823307
Energy: 0.6419653392397966
Energy: 0.6419538545755566
Energy: 0.6419653392397966
Energy: 2.0322229053480285
Energy: 0.6422073817955448
Energy: 0.6427350318511721
Energy: 0.6422073817955448
Energy: 1.7626623290142622
Energy: 0.6421742631806149
Energy: 0.6424740013065059
Energy: 0.6421742631800063

minimum gb energy = 0.6415058519982048 eV
minimum distance =  2.24059033714151 Angstroms
sigma value = 113


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

Energy: 0.02048006824540535
Energy: 0.021114918132657274
Energy: 1.6190516085142537
Energy: 0.6243114473020542
Energy: 0.021428359464882044
Energy: 0.16789516728523005
Energy: 1.1521583255177406
Energy: 0.1678951672838787
Energy: 0.02122802963204034
Energy: 0.16540180327488713
Energy: 1.1502642383714732
Energy: 0.16540180327441936
Energy: 0.023025282114528596
Energy: 0.1645742976851325
Energy: 1.146702432629792
Energy: 0.16457429768466472
Energy: 8.553554278934559
Energy: 0.1661397242271142
Energy: 1.1507613822126195
Energy: 0.1661397242266464
Energy: 0.021150530615410938
Energy: 0.16522038782905324
Energy: 1.1505138126660839
Energy: 0.16522038782858547

minimum gb energy = 0.02048006824540535 eV
minimum distance =  2.45681070661286 Angstroms
sigma value = 1