Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.158251941204071
cohesive_energy=6.380583344111484
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.1436963145256598e-19, 3.22388380116846e-19, 4.1129476371414e-19, 4.864704935580539e-19, 5.51441960420022e-19, 6.09746770307916e-19, 6.6340526795721e-19, 7.1158592369485795e-19, 7.55405454634758e-19, 7.9474850405926185e-19, 8.30030035716576e-19, 8.6158650669984e-19, 8.89699900096638e-19, 9.146025315189e-19, 9.3649627522251e-19, 9.555557684605739e-19, 9.719332180133219e-19, 9.857616045413759e-19, 9.971594891156519e-19, 1.006232615393994e-18, 1.0132677729938879e-18, 1.018277779328406e-18, 1.021232193041502e-18, 1.022201509905072e-18, 1.0211472776799e-18, 1.017707404446702e-18, 1.0114124524517159e-18, 1.0016888424599698e-18, 9.87849240695478e-19, 9.690525044253899e-19, 9.442684340740439e-19, 9.13303166268726e-19, 8.74121936684256e-19, 8.246867766421859e-19, 7.63832903729598e-19, 6.873017324533199e-19, 5.912688671879939e-19, 4.70804410430802e-19, 3.1948523605603796e-19, 1.2882589617471118e-19, -1.1190002156014498e-19, -4.1638007235045597e-19, -8.07383268994986e-19, -1.3141661579188918e-18, -1.9748108755357197e-18, -2.85485445705924e-18, -4.04831583172584e-18, -5.700816833799779e-18, -8.04927132215064e-18, -1.148994564366564e-17, -1.6773988269662998e-17, -2.53538043623964e-17, -4.0426921917404994e-17, -7.00540517980062e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018237256136279124
Energy: 0.023594631246842267
Energy: 0.03249143927527694
Energy: 0.03498537724885431
Energy: 0.2588543428476171
Energy: 0.0388738052128778
Energy: 0.2604428149965258
Energy: 0.03387098212754329
Energy: 0.03579157404236688
Energy: 0.022012801067593932
Energy: 0.027474129733413476
Energy: 0.032568059214894786
Energy: 0.263574142942638
Energy: 0.01995188273296362
Energy: 0.020431380407565453
Energy: 0.03747298110067786
Energy: 0.033260334528673836
Energy: 0.26297981669490583
Energy: 0.03723473522900358
Energy: 0.2577688443498314
Energy: 0.03496424394041936
Energy: 0.033014338036350566
Energy: 0.25633116093544306
Energy: 0.022974224599420202
Energy: 0.03352056605082694
Energy: 0.26608802769355766
Energy: 0.023051611589933088
Energy: 0.018598090411198365
Energy: 0.03815127294213058
Energy: 0.03293393889993285
Energy: 0.020650539141484632
Energy: 0.2566299559915017
Energy: 0.032921449626690434
Energy: 0.032655669079651645
Energy: 0.03771818715407043
Energy: 0.033423243381676675
Energy: 0.020157648536065383
Energy: 0.027698066772730817
Energy: 0.034904791227492904
Energy: 0.02785871480733614
Energy: 0.021506859089829362
Energy: 0.035373771408234576
Energy: 0.03478487101898
Energy: 0.024798956501117162
Energy: 0.018788640926427805
Energy: 0.03543319102768755
Energy: 0.035407979757210405
Energy: 0.034791263958257414
Energy: 0.03309544782729108
Energy: 0.018659882307192295
Energy: 0.03334622945684223
Energy: 0.03483281438351896
Energy: 0.2581404790943099
Energy: 0.01896187537189674
Energy: 0.02554324552594027
Energy: 0.03231263446886744
Energy: 0.02895859834419876
Energy: 0.02136476410078403
Energy: 0.03513141297604065
Energy: 0.03530603124525576
Energy: 0.025951808890639087
Energy: 0.2566114937078054
Energy: 0.03505675368116009
Energy: 0.2645900725675308
Energy: 0.032929588258207576
Energy: 0.03730841110832901
Energy: 0.01870413681476906
Energy: 0.02170004736975177
Energy: 0.2650500433387355
Energy: 0.03366164065771595

minimum gb energy = 0.018237256136279124 eV
minimum distance =  2.73388917563364 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.4988560393140307
Energy: 2.297370769812515
Energy: 2.211598017606492
Energy: 2.1123763711443626
Energy: 2.294937832049278
Energy: 2.216288840985606
Energy: 2.2162385682209553
Energy: 2.2099219709091344
Energy: 2.210197413550164
Energy: 2.134544771118331
Energy: 2.1085230851900456
Energy: 2.2087608662525398
Energy: 2.275109748422723
Energy: 2.357564815432234
Energy: 2.2887710977805553
Energy: 2.212073190039447
Energy: 2.2110323588430436
Energy: 2.214409032614355
Energy: 2.2167423782354656
Energy: 2.2917044533663566
Energy: 2.139427447233012
Energy: 2.1167854516895135
Energy: 2.284744178846231
Energy: 2.088424058669267
Energy: 2.2095108307258533
Energy: 2.1989575138946282
Energy: 2.354383609197212
Energy: 2.2892994379411595
Energy: 2.1980620431304687
Energy: 2.2142620704752356
Energy: 2.278637736462478
Energy: 2.285458262685983
Energy: 2.2213857354615314
Energy: 2.212315627823414
Energy: 2.116366212048333
Energy: 2.2179556597962224
Energy: 2.272775794810232
Energy: 2.211704142645787
Energy: 2.2777756431045737
Energy: 2.3572092214721545
Energy: 2.2130725808292726
Energy: 2.2144293081563444
Energy: 2.3580841155160175
Energy: 2.2906794895320854
Energy: 2.213356795401369
Energy: 2.213921056642653
Energy: 2.212122199418869
Energy: 2.1148430244907233
Energy: 2.189907092559162
Energy: 2.132993600921265
Energy: 2.204412138070435
Energy: 2.1188914217858814
Energy: 2.1100855576319106
Energy: 2.1137745788994446
Energy: 2.397905859190799
Energy: 2.2628839839351147
Energy: 2.209399051581017
Energy: 2.1159636890158824
Energy: 2.1103802948012698
Energy: 2.118100198470361
Energy: 2.133343529642442
Energy: 2.1168961188970283
Energy: 2.1215804405847485
Energy: 2.121114224647665
Energy: 2.123401246327786
Energy: 2.102842651588398
Energy: 2.117074394789404
Energy: 2.2132596526296093
Energy: 2.1942976407455057
Energy: 2.1109130178033464
Energy: 2.109650104940294
Energy: 2.1204984638017534
Energy: 2.118401486659339
Energy: 2.1251224500325034
Energy: 2.114539724372148
Energy: 2.113845844236315
Energy: 2.113086522539375
Energy: 2.183936429349489
Energy: 2.131457939714835
Energy: 2.118673026840094
Energy: 2.1145579254986417
Energy: 2.133063130445321
Energy: 2.1156807224732352
Energy: 2.1106700001554493
Energy: 2.1131642059872386
Energy: 2.1210876956503646
Energy: 2.1190791288362143
Energy: 2.089565044997998
Energy: 2.1099541535031623
Energy: 2.1099077867803118
Energy: 2.0958942599337416
Energy: 2.209504714813272
Energy: 2.10566412029039
Energy: 2.111759348827339
Energy: 2.121369795889615
Energy: 2.1196869998053454
Energy: 2.1180078489478484
Energy: 2.1200133156693366
Energy: 2.1094908462533364
Energy: 2.1697927381149498
Energy: 2.07754228010151
Energy: 2.115944412345668
Energy: 2.211922591456738
Energy: 2.1236313560933824
Energy: 2.2054946450075175
Energy: 2.1093842209574603
Energy: 2.11780252606801
Energy: 2.1215951503338357
Energy: 2.1178716349205655
Energy: 2.116085136333552
Energy: 2.1100543441042516
Energy: 2.112960555806496
Energy: 2.2126968203602746
Energy: 2.2113223873757226
Energy: 2.216597224451046
Energy: 2.333286117858878
Energy: 2.2167296448797797
Energy: 2.2137724727508563
Energy: 2.2142294272323406
Energy: 2.1321678832745348
Energy: 2.2757593682197466
Energy: 2.1047143008138143
Energy: 2.1841454779400427
Energy: 2.2169226277367753
Energy: 2.1229938496868086
Energy: 2.217351191815063
Energy: 2.3536716202445724
Energy: 2.1945341684593096
Energy: 2.1191794345366923
Energy: 2.298803615951337
Energy: 2.2388660592113263
Energy: 2.2987852868305563
Energy: 2.3004140158709228
Energy: 2.1979819381089745
Energy: 2.17370474952327
Energy: 2.1334997974536387
Energy: 2.2909098593258572
Energy: 2.1064472549965396
Energy: 2.1833345232029906
Energy: 2.352783972400482
Energy: 2.285904764828671
Energy: 2.2182311405256314
Energy: 2.210382179915005
Energy: 2.2085204760600807
Energy: 2.296755324234549
Energy: 2.3071598648819425
Energy: 2.2064830533232254
Energy: 2.228987314982047
Energy: 2.11222974223838
Energy: 2.297301592124008
Energy: 2.204158996938718
Energy: 2.212142626829815
Energy: 2.2125500760781676
Energy: 2.218064953271094
Energy: 2.2830960369973843
Energy: 2.318403183990023
Energy: 2.20843855932908
Energy: 2.2862537766347124
Energy: 2.395854501067867
Energy: 2.2874564062641056
Energy: 2.2810559534230985
Energy: 2.402633903219108
Energy: 2.2878816086478113
Energy: 2.2217186048082573
Energy: 2.214935128816095
Energy: 2.1301412765322882
Energy: 2.1162709621196005
Energy: 2.28314654323659
Energy: 2.1864089000246913
Energy: 2.22532799731197
Energy: 2.2060571966562352
Energy: 2.1899444258287737
Energy: 2.208436679352232
Energy: 2.279087550175183
Energy: 2.397254956004536
Energy: 2.214677955734891
Energy: 2.1983143458858376
Energy: 2.2007901598951927
Energy: 2.2134867074018563
Energy: 2.1175148269961768
Energy: 2.2125473309346355
Energy: 2.213170432456203
Energy: 2.116526731031398
Energy: 2.183244811628806
Energy: 2.1021517352136434
Energy: 2.3874205285837493
Energy: 2.356585292558562
Energy: 2.396137026714316
Energy: 2.295907798236857
Energy: 2.2140077236713807
Energy: 2.2626630872340034
Energy: 2.2098258039298937
Energy: 2.114884885930219
Energy: 2.108865931126702
Energy: 2.1088811210479386
Energy: 2.122103667360717
Energy: 2.1180507352595677
Energy: 2.2169381037895772
Energy: 2.1159483021650907
Energy: 2.2632993589113437
Energy: 2.107669964680408
Energy: 2.117486055181616
Energy: 2.2108738122939484
Energy: 2.113163338095676
Energy: 2.1117986015773544
Energy: 2.1183809477969926
Energy: 2.115415711908644
Energy: 2.121552303455201
Energy: 2.1207327288639894
Energy: 2.1242196597188605
Energy: 2.1544468573628954
Energy: 2.11313951502213
Energy: 2.184366965288626
Energy: 2.254694080608409
Energy: 2.1239518843901997
Energy: 2.1088087397976154
Energy: 2.1226955404535057
Energy: 2.123250810315043
Energy: 2.1252329651629003
Energy: 2.1169674880340206
Energy: 2.122573353306965
Energy: 2.1187936828876235
Energy: 2.1324609731364035
Energy: 2.111772014605411
Energy: 2.1093359069107867
Energy: 2.129485160795877
Energy: 2.18096418454086
Energy: 2.1169118748183875
Energy: 2.12315809561493
Energy: 2.1131882326245908
Energy: 2.114899866888456
Energy: 2.116081386591667
Energy: 2.122138907518628
Energy: 2.1070768941399236
Energy: 2.175116636900757
Energy: 2.1133776428912894
Energy: 2.2097504961972887
Energy: 2.112884041443388
Energy: 2.1207350447609996
Energy: 2.1252682325486836
Energy: 2.103507460257791
Energy: 2.124840593386924
Energy: 2.121123343560966
Energy: 2.12293909755208
Energy: 2.113833758465476
Energy: 2.10580752072439
Energy: 2.1161590123111313
Energy: 2.2133646313014825
Energy: 2.1326520964932687
Energy: 2.2108572057261244
Energy: 2.297915711499708
Energy: 2.218233668394551
Energy: 2.219242139741968
Energy: 2.213559834882806
Energy: 2.13130081282634
Energy: 2.1851677228045996
Energy: 2.1115685286282213
Energy: 2.2093907530635666
Energy: 2.26507674620441
Energy: 2.21814345710785
Energy: 2.2085552194652958
Energy: 2.3506781019885143
Energy: 2.2889553307734776
Energy: 2.0943686372308212
Energy: 2.298542750345899
Energy: 2.275476101641326
Energy: 2.1064338083395846
Energy: 2.213099184458095
Energy: 2.2210445129715297
Energy: 2.121169271953635
Energy: 2.1307747268011985
Energy: 2.295575388429482
Energy: 2.2349046147797367
Energy: 2.1846385016643852
Energy: 2.349761040388093
Energy: 2.2837416963567065
Energy: 2.2990635322392254
Energy: 2.3013511476591875
Energy: 2.1952581204764012
Energy: 2.1731861097160445
Energy: 2.0979656180161617
Energy: 2.2137361827315667
Energy: 2.2256500917326134
Energy: 2.113506311968254
Energy: 2.2098112305889326
Energy: 2.1978583299608383
Energy: 2.2174757417362496
Energy: 2.314219021963364
Energy: 2.2086556670008433
Energy: 2.318917872088074

minimum gb energy = 2.07754228010151 eV
minimum distance =  2.56691324565291 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.1382905843690647
Energy: 2.0967266570945893
Energy: 2.1380587064662158
Energy: 2.0726220018269803
Energy: 2.1562780201174934
Energy: 2.1539254192752906
Energy: 2.1208884762752476
Energy: 2.0945983219887974
Energy: 2.1134599787975583
Energy: 2.095941209847618
Energy: 2.040962808510615
Energy: 2.1067995778037787
Energy: 2.1374116227375577
Energy: 2.0038769903291778
Energy: 2.0367908768963874
Energy: 2.105441281298439
Energy: 2.0891235929086176
Energy: 2.1022425647635905
Energy: 2.124154699869689
Energy: 2.067955297842243
Energy: 2.0439782718486663
Energy: 2.0770366551006654
Energy: 2.0798882455938528
Energy: 2.0943667665840793
Energy: 2.079122086589197
Energy: 2.1029594885491476
Energy: 2.0999364682129786
Energy: 2.0473101610331645
Energy: 2.146067156089144
Energy: 2.106190079107287
Energy: 2.1363013217120157
Energy: 2.121197964707066
Energy: 2.1088321991453878
Energy: 2.125874425125911
Energy: 2.075068737450655
Energy: 2.1116398561538823
Energy: 2.105349032475142
Energy: 2.1851142784581743
Energy: 2.1403323760679993
Energy: 2.149924757104768
Energy: 1.5878143928367874
Energy: 2.111175353824509
Energy: 2.1192141504017648
Energy: 2.112292229672872
Energy: 2.0918942501174134
Energy: 2.0951650573849707
Energy: 2.092961997526497
Energy: 2.1147112348126744
Energy: 2.118974800012161
Energy: 2.0918991545101884
Energy: 2.0842274726007295
Energy: 2.037171958437824
Energy: 2.091294962304043
Energy: 2.0924858692966906
Energy: 2.132283682625486
Energy: 2.083004399124663
Energy: 2.0894240438703724
Energy: 2.1015159492919118
Energy: 2.1007900180628933
Energy: 2.075660314645633
Energy: 2.1071878999681797
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Energy: 2.099567321167131
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Energy: 2.1549662586727583
Energy: 2.0866407033479084
Energy: 2.1036510285162784
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Energy: 2.076302373605909
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Energy: 2.101753864534086
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Energy: 2.0522491944488754
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Energy: 2.3598992496683007
Energy: 1.9929989724756438
Energy: 2.1868019016600035
Energy: 2.153901963112069
Energy: 2.1337187161624307
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Energy: 2.072152866109004
Energy: 2.038644752745489
Energy: 2.080936549198691
Energy: 2.0507530919502264
Energy: 2.0449110262687724
Energy: 2.023188731228186
Energy: 2.1715463534478006
Energy: 2.049283358387211
Energy: 1.982728721228007
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Energy: 2.114862146917558
Energy: 2.085537503903811
Energy: 2.174702175903405
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Energy: 2.0553781736589984
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Energy: 2.065612034607175
Energy: 1.936454442333556
Energy: 1.9386000846511802
Energy: 2.0663247395390303
Energy: 2.1507687269081166
Energy: 2.1741878145090454
Energy: 2.0986135397110446
Energy: 2.0493141431289765
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Energy: 2.095926710103283
Energy: 2.0852826661627724
Energy: 2.080216936018732
Energy: 2.136717232540001
Energy: 2.1419173229197903
Energy: 2.071792717844854
Energy: 2.244124874150237
Energy: 2.0348673004741267
Energy: 2.183473518774667
Energy: 2.0996023666812547
Energy: 2.109438689767632
Energy: 2.025398819762227
Energy: 2.050043035348104
Energy: 2.147286083254144
Energy: 2.0660187041389646
Energy: 2.049526595027858
Energy: 2.0666200425466275
Energy: 2.0926735869345556
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Energy: 2.0470074888135446
Energy: 2.0692663462825207
Energy: 2.0240163055909104
Energy: 2.1346894212124594
Energy: 2.133825754290549
Energy: 2.049586856278343
Energy: 2.1385055407316123
Energy: 2.0984709932415484
Energy: 2.0987099245506995
Energy: 2.1473487450646176
Energy: 2.172544272556349
Energy: 2.128277105459323
Energy: 2.13660125424149
Energy: 2.0873193685854843
Energy: 2.051416838782889
Energy: 2.0870685344890596
Energy: 2.1426837081296637
Energy: 2.101403954168525
Energy: 2.095006373355047
Energy: 2.0947296485493196
Energy: 2.110550070103557
Energy: 2.0848543750610427
Energy: 2.0869992334674414
Energy: 2.1010922743674065
Energy: 2.099057189136469
Energy: 2.129603596777872
Energy: 2.096775179090775
Energy: 2.109406989942016
Energy: 2.1293332554198243
Energy: 2.0948009943685384
Energy: 2.0923517543056853
Energy: 2.0945932837309345
Energy: 2.0775829465800086
Energy: 2.0879325553022032
Energy: 2.084404593860625
Energy: 2.09340768240284
Energy: 2.08583293107007
Energy: 2.0823059747016024
Energy: 2.075795570837467
Energy: 2.102489429703844
Energy: 2.095935021231026
Energy: 2.1040467275243735
Energy: 2.1919380137470132
Energy: 2.082624069044958
Energy: 2.096279194737822
Energy: 2.082176449626167
Energy: 2.155694562919419
Energy: 2.1835066779074506
Energy: 2.0975756233706555
Energy: 2.092900907777497
Energy: 2.197521222967389
Energy: 2.3661192083154114
Energy: 2.080409915733909
Energy: 2.15882279231981
Energy: 2.1874700162823957
Energy: 2.0736642283849824
Energy: 2.1090313242459144
Energy: 2.194856516940129
Energy: 2.0808832464522964
Energy: 2.12965015843049
Energy: 2.1624718766858173
Energy: 2.1235356631758746
Energy: 2.032980924293815
Energy: 2.209194735156991
Energy: 2.1023076244483394
Energy: 2.0888211060916277
Energy: 2.00961961277444
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minimum gb energy = 1.5878143928367874 eV
minimum distance =  2.54743280879433 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.2250842372997703
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Energy: 2.269464102424962
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Energy: 2.276137045124668
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Energy: 2.279861637540737
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Energy: 2.218989552753488
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Energy: 2.2590714185280136
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Energy: 2.225358191243681
Energy: 2.26043515078596
Energy: 2.2715467316522004
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Energy: 2.2447202906357795
Energy: 2.250333625239044
Energy: 2.2465580686437416
Energy: 2.2478424113595468
Energy: 2.32008853085446
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Energy: 2.221488708523945
Energy: 2.346298633466969
Energy: 2.3820120875332784
Energy: 2.25023320485983
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Energy: 2.2783983118625897
Energy: 2.2621770301244184
Energy: 2.2920312729789485
Energy: 2.339228939196611
Energy: 2.229871018771843
Energy: 2.2325809066188946
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Energy: 2.341969149527537
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Energy: 2.3001920785914125
Energy: 2.3299933993920896
Energy: 2.2570840648606825
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Energy: 2.2241252902553623
Energy: 2.2503848743733195
Energy: 2.218465035367767
Energy: 2.2251753493628215
Energy: 2.244963564463339
Energy: 2.250185707597951
Energy: 2.369616183179873

minimum gb energy = 1.5276989589038554 eV
minimum distance =  2.5582482929567 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.5829275043378144
Energy: 2.2965874842634655
Energy: 2.308691633019503
Energy: 2.310860770879256
Energy: 2.360525813979225
Energy: 2.321747603179122
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Energy: 2.3082686941018578
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Energy: 2.327067283116617
Energy: 2.324389953344258
Energy: 2.3600652241658833
Energy: 2.359365718014497
Energy: 2.3239413428230584
Energy: 2.3073469972087692
Energy: 2.306975860523692
Energy: 2.3609185790422584
Energy: 2.3066654642531117
Energy: 2.358133607359194
Energy: 2.322668046784845
Energy: 2.309581435367762
Energy: 2.3110260780932967
Energy: 2.3626101988422614
Energy: 2.304466527266826
Energy: 2.3092429891771475
Energy: 2.30634745456084
Energy: 2.3569689498044624
Energy: 2.306506170592558
Energy: 2.3209658896637864
Energy: 2.2974029755938314
Energy: 2.3066186193512057
Energy: 2.3220908383167957
Energy: 2.3613108840430783
Energy: 2.3531023881736317
Energy: 2.3076055140499867
Energy: 2.30677056835717
Energy: 2.298384401818117
Energy: 2.3684920987686295
Energy: 2.307574844365623
Energy: 2.308353056714668
Energy: 2.3052495737602747
Energy: 2.36079983268054
Energy: 2.294990238820118
Energy: 2.2954085679833316
Energy: 2.3592580438615824
Energy: 2.4727945324607346

minimum gb energy = 2.294990238820118 eV
minimum distance =  2.53642794067487 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 5.529061558353477
Energy: 1.683071605268585
Energy: 1.8869874909579123
Energy: 1.9553631755941334
Energy: 1.8148146858341374
Energy: 1.7670994754820661
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Energy: 1.7960786447639687
Energy: 1.7852609579989644
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Energy: 1.8338975781861244
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Energy: 1.7059270224795615
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Energy: 1.834329703582659
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Energy: 1.7565467679485527
Energy: 1.7143312805301745
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Energy: 1.6044895588708774
Energy: 1.6090608844901715
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Energy: 2.0175341025820286
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Energy: 1.7590779411006625
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Energy: 1.7609409393481719
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Energy: 1.948317644096814
Energy: 1.714494758620469
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Energy: 1.7235633655917915
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Energy: 1.6558616484821527
Energy: 1.717879135185221
Energy: 1.814447064446533
Energy: 1.8031167339492111
Energy: 1.8781242871981407
Energy: 1.7971100361934336
Energy: 1.770236941880433
Energy: 1.603548070611424
Energy: 1.80531834131969
Energy: 1.8138442876110599
Energy: 1.7586733197183209
Energy: 1.932384406570264
Energy: 1.718980037059959
Energy: 1.7658413528977583
Energy: 1.8003988147612149
Energy: 1.7140955259443234
Energy: 1.7139739227812032
Energy: 1.708093763043198
Energy: 1.8209000514591562
Energy: 1.7145424326525962
Energy: 1.7272705729810707
Energy: 1.7887639756251468
Energy: 1.7930435704197927
Energy: 1.8015433871905127
Energy: 1.8783140557293108
Energy: 1.725236903482872
Energy: 1.727441881331421
Energy: 1.74908121031745
Energy: 1.7437180457941945
Energy: 1.718428041248505
Energy: 1.7479607881173331
Energy: 1.7965131565136632
Energy: 1.7530299105146254
Energy: 1.742808035591937
Energy: 1.9570215421530894
Energy: 1.7625044613166225
Energy: 1.7463559205437214
Energy: 1.7860806087472625
Energy: 1.760862800958772
Energy: 1.7320359949977926
Energy: 1.7912734459589772
Energy: 1.7476324951511313
Energy: 1.7293372119202524
Energy: 1.7535677795169733
Energy: 1.7495565199443899
Energy: 1.6760372620090787
Energy: 1.6716888250396067
Energy: 1.7645194618313176
Energy: 1.759054357453425
Energy: 1.677405863137229
Energy: 1.7135456737387735
Energy: 1.7169856832412862
Energy: 1.7571302497608772
Energy: 1.791050336632272
Energy: 1.7383415723984201
Energy: 1.670631973633069
Energy: 1.6803716553338612
Energy: 1.8317052374083287
Energy: 1.9542804751038882

minimum gb energy = 1.537927412530132 eV
minimum distance =  2.52422398691991 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 2.472476750723045
Energy: 2.354014600646394
Energy: 2.419162471603537
Energy: 2.5159882911253915
Energy: 2.438146679687994
Energy: 2.436799555038823
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Energy: 2.4521656551863984
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Energy: 2.5198804197375995
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Energy: 2.372526387709009
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Energy: 2.5124506632226598
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Energy: 2.428022832759524
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Energy: 2.392841320152069
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Energy: 2.4384337163079093
Energy: 2.5089105972505585
Energy: 2.4050616117092405
Energy: 2.4543352017052316
Energy: 2.404738227241654
Energy: 2.335299573412525
Energy: 2.532677578008027
Energy: 2.3548799411143992
Energy: 2.563299001937875
Energy: 2.4721438370984905
Energy: 2.447262335760761
Energy: 2.3913187771015556
Energy: 2.419753560184805
Energy: 2.4692523739304004
Energy: 2.351535454877813
Energy: 2.3831281908037014
Energy: 2.405826000411098
Energy: 2.467951343274956
Energy: 2.3942335099878145
Energy: 2.434262667308867
Energy: 2.479416166071273
Energy: 2.4512402415528007
Energy: 2.4515317664601115
Energy: 2.5350408406411877
Energy: 2.3579420956093635
Energy: 2.4680094515275437
Energy: 2.3418401534197675
Energy: 2.4010313162757067
Energy: 2.3607868458023504
Energy: 2.419316305089667
Energy: 2.4564480691621546
Energy: 2.443222023528863
Energy: 2.43853788375447
Energy: 2.456781716009694
Energy: 2.3443196501648202
Energy: 2.4640482338392973
Energy: 2.461626161402832
Energy: 2.380951857041706
Energy: 2.446827094854492
Energy: 2.35610744163436
Energy: 2.4515024605008544
Energy: 2.520455077201522
Energy: 2.5071147572137993
Energy: 2.5088201901677216
Energy: 2.4592656622246287
Energy: 2.348592232937962
Energy: 2.457998943503816
Energy: 2.4284887752724655
Energy: 2.4242933239814
Energy: 2.496551436735989
Energy: 2.433349658527138
Energy: 2.4558378314727247
Energy: 2.466771841965939
Energy: 2.343269926086965
Energy: 2.3826852118941346
Energy: 2.5057212201186507
Energy: 2.40278931611847
Energy: 2.3706666940426433
Energy: 2.437696873051066
Energy: 2.4196488055993064
Energy: 2.439898939449097
Energy: 2.429442119320683
Energy: 2.34379106735148
Energy: 2.374004757237187
Energy: 2.41107627310337
Energy: 2.435978163597116
Energy: 2.5131111546987084
Energy: 2.3964311078346454
Energy: 2.36922990551237
Energy: 2.417665021690672
Energy: 2.3754560660589417

minimum gb energy = 1.0023926877652845 eV
minimum distance =  2.50059359264275 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.0640374922567157
Energy: 2.237399299783688
Energy: 2.1906456888848687
Energy: 2.246451513485365
Energy: 2.2600709710459825
Energy: 1.788555160504286
Energy: 1.927377309414336
Energy: 1.9126687447420856
Energy: 2.2006786288186175
Energy: 2.228886679571429
Energy: 2.2195496253068554
Energy: 2.2292020263345074
Energy: 1.92851450949481
Energy: 2.392064610213361
Energy: 2.391670228785864
Energy: 1.989521165352894
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Energy: 1.8312815846615007
Energy: 2.2227614389459758
Energy: 1.9961928875774118
Energy: 2.267644204369159
Energy: 2.2565519882985594
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Energy: 2.0527050130331035
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Energy: 2.3112944548568666
Energy: 1.90856799515526
Energy: 1.7941357847402344
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Energy: 2.076510892065653
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Energy: 2.2158765822688844
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Energy: 2.59272602523842
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Energy: 2.3752078104373497
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Energy: 2.1957121037598766
Energy: 1.857580274918542
Energy: 2.320482928101701
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Energy: 2.069911781427404
Energy: 2.1952337992616227
Energy: 2.2116858038211236
Energy: 2.207148473682211
Energy: 2.1823955939111803
Energy: 1.9021054764352152
Energy: 1.8033122591637203
Energy: 2.391691924497877
Energy: 2.392127202159103
Energy: 2.224317741020537
Energy: 2.1950610984910686
Energy: 2.1952142740203544
Energy: 2.1964487939637705
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Energy: 2.18249348942743
Energy: 2.049790758308863
Energy: 2.2555756942876517
Energy: 2.3369483904332107
Energy: 2.2191627271267134
Energy: 1.8623226122277856
Energy: 2.196366296946479
Energy: 2.0018766275670066
Energy: 2.1953229080796275
Energy: 2.197167780421177
Energy: 2.0503951980987702
Energy: 2.169137934415782
Energy: 1.8514689081441211
Energy: 2.1473069639764977
Energy: 2.1492872290794502
Energy: 2.2596452098352433
Energy: 2.2458938630777547
Energy: 1.857146312475734
Energy: 1.837618282263291
Energy: 2.2386354412474105
Energy: 2.133910990652377
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Energy: 2.1513116907642225
Energy: 2.18252591610959
Energy: 2.1881070546113732
Energy: 2.201925032507741
Energy: 2.22472496777187

minimum gb energy = 1.5544512836626214 eV
minimum distance =  2.5176371479213 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.7717451596296803
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Energy: 1.8859591049060296
Energy: 1.6350208761104967
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Energy: 1.826939434241213
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Energy: 1.771829783277954
Energy: 1.642356780881858
Energy: 1.641713817272373
Energy: 1.7817326756616438
Energy: 1.7592335863098083

minimum gb energy = 1.6208358964966907 eV
minimum distance =  2.5897795170029 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 0.9889661614246967 eV
minimum distance =  2.53532736177025 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.6684171173383677
Energy: 2.6597229076674074
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Energy: 2.5091727631537584
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Energy: 2.642417045878119
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Energy: 2.5383787762205605
Energy: 2.5404409862805486
Energy: 2.655828721815219
Energy: 2.5647428246585062
Energy: 2.519713541530383
Energy: 2.55215561550419
Energy: 2.676994005500791
Energy: 2.41461590929803
Energy: 2.5881241005941655
Energy: 2.640454436969712
Energy: 2.4689013963191333
Energy: 2.5374123390538603
Energy: 2.4750589276522126
Energy: 2.5635727403123045
Energy: 2.5724375476943484
Energy: 2.5148537763329384
Energy: 2.5218030897160957
Energy: 2.7940391407442244
Energy: 2.5221489858968855
Energy: 2.5196894012100466
Energy: 2.535251687757582
Energy: 2.542181387036992
Energy: 2.4830537270371176
Energy: 2.4788778456557212
Energy: 2.569776223746802
Energy: 2.6442321233902257
Energy: 2.6574848911086795
Energy: 2.6671259647390317
Energy: 2.6682366624477702
Energy: 2.5371784491506384
Energy: 2.5649785665084486
Energy: 2.475563009365595
Energy: 2.47951046055539
Energy: 2.6677247050224637
Energy: 2.555728638735512
Energy: 2.4053700248530343
Energy: 2.59620299815134
Energy: 2.5753720791570194
Energy: 2.735516075667351

minimum gb energy = 2.1937176571989654 eV
minimum distance =  2.53847244264743 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 1.6677242017654075
Energy: 2.207225523289098
Energy: 2.1935747202397318
Energy: 1.9562676536542045
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Energy: 2.202735674233094
Energy: 1.9587607809788492
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Energy: 1.658309426179194
Energy: 1.6667515423512
Energy: 2.2518701778788004
Energy: 2.2413523089114493
Energy: 1.7312099342669394
Energy: 2.273184502390491
Energy: 1.9974223499812722
Energy: 1.9940583265210705
Energy: 2.000551269776515
Energy: 2.2002014228235978
Energy: 2.720558759939838
Energy: 1.6474134067193182
Energy: 1.9572985196550448
Energy: 1.9558253076586838
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Energy: 2.197558487622714
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Energy: 1.9990558126210087
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Energy: 1.9807342999063704
Energy: 1.9603485266426077
Energy: 2.2050634734651795
Energy: 2.2641984218002893
Energy: 2.207429741606699
Energy: 2.2016149849194298
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Energy: 2.200054822517662
Energy: 1.977594527263299
Energy: 1.9941793528092269
Energy: 1.972351124837177
Energy: 2.2049544296365005
Energy: 2.196341571211402
Energy: 1.9704912251072708
Energy: 1.9522214582416606
Energy: 2.198302300834847
Energy: 2.2050674206525684
Energy: 1.966877325064437
Energy: 2.3126612193250167
Energy: 2.2886547366790135
Energy: 1.994148232826631
Energy: 1.9975032068955136
Energy: 1.9616231104164827
Energy: 1.6455957240778705
Energy: 2.7216725799586623
Energy: 1.9334929944485706
Energy: 2.2985218162453007
Energy: 2.02084440421289
Energy: 1.9529150041528573
Energy: 1.982699788748762
Energy: 1.9754988342337998
Energy: 2.3308647644982314
Energy: 2.2056827128760474
Energy: 1.645599285057536
Energy: 1.975416808521609
Energy: 2.263432778726085
Energy: 1.9580721271510204
Energy: 2.232779467944755
Energy: 2.198373962215957
Energy: 2.3004003518023497
Energy: 1.9968673411226217
Energy: 1.994040099359506
Energy: 1.9684393123628707
Energy: 2.195123601742987
Energy: 2.2574353129795552
Energy: 1.6477184672225165
Energy: 2.302428757995029
Energy: 2.261168704467605
Energy: 2.206208623869701
Energy: 1.9505516450191307
Energy: 1.9757298614338688
Energy: 1.9748161399001394
Energy: 2.304344838322115
Energy: 2.2020497199515963
Energy: 1.9726975257546884

minimum gb energy = 1.636302899648926 eV
minimum distance =  2.66194961012942 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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Energy: 2.0126071790322073
Energy: 1.9407139959324722
Energy: 1.954025426340194
Energy: 1.9291782253610164
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Energy: 1.9820687121408533
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Energy: 1.9244112158247522
Energy: 2.2201838819894784
Energy: 1.742363035403875
Energy: 2.313746734601896
Energy: 1.9897917398771567
Energy: 1.9623911887894065
Energy: 1.9300842279570853
Energy: 1.9224122347844177
Energy: 1.9012431927972988
Energy: 1.9025610063033325
Energy: 1.9407714989735778
Energy: 2.1644725612009728
Energy: 2.2709120383227877
Energy: 2.2206861924148926
Energy: 2.2422714837708293
Energy: 1.9363027711481764
Energy: 1.9261649094124667
Energy: 1.9414213553568611
Energy: 1.9327800241036033
Energy: 1.91620137427813
Energy: 1.7587277767728027
Energy: 2.2755812233355424
Energy: 2.0559503455008397
Energy: 2.080085821957201
Energy: 2.1205048707390226
Energy: 2.1941562079154076
Energy: 1.9396113243088156
Energy: 2.088716859365264
Energy: 2.282679946363102
Energy: 1.9408495130477168
Energy: 2.206287066422928
Energy: 1.9170297326632812
Energy: 1.9059574848181016
Energy: 2.3149521712220156
Energy: 1.8773741911691373
Energy: 1.9121409198332953
Energy: 2.139573197570342
Energy: 2.084629788690095
Energy: 2.140555170032914
Energy: 2.0869060190754123
Energy: 2.2212763011547754
Energy: 2.2207610949008374
Energy: 1.9433876578271934
Energy: 2.2361782582428997
Energy: 2.220297276757268
Energy: 2.0533409117302095
Energy: 2.2794570885611423
Energy: 1.9448613445250147
Energy: 2.151880167423919
Energy: 2.3616998933576925
Energy: 2.209316290312643
Energy: 2.22103429182013
Energy: 2.076199879325536
Energy: 2.225484803493987
Energy: 2.242372671934882
Energy: 2.261486302778491
Energy: 2.2287214178854673
Energy: 2.042893721071113
Energy: 2.2046424902115254
Energy: 2.188596528356568
Energy: 2.147149178297638
Energy: 2.2200100717279985
Energy: 1.9480086120811184
Energy: 1.9659648097466327
Energy: 2.232422437963653
Energy: 1.8540580212885909
Energy: 2.051607531999123
Energy: 2.2130609473458103
Energy: 2.1417675463778902
Energy: 2.141633715747486
Energy: 1.933523333225904
Energy: 2.2279828308191787
Energy: 1.9410368896960395
Energy: 2.2346997148135266
Energy: 2.2117893482828714
Energy: 2.17067699838602
Energy: 2.21831702580148
Energy: 2.225242961253493
Energy: 2.2333077574911644
Energy: 2.1863127533648425
Energy: 1.9336030372961799
Energy: 2.0535629148120975
Energy: 2.231830091888248
Energy: 2.2179436669588
Energy: 2.234411456147796
Energy: 1.9371262368039999
Energy: 2.2097769062033334
Energy: 2.2056521267692015
Energy: 1.9286420218407896
Energy: 2.2299110759034715
Energy: 2.3016578428647163
Energy: 2.140733564600395
Energy: 1.91824163963972
Energy: 2.042165807668791
Energy: 2.2914377745640846
Energy: 1.9039281819470206
Energy: 1.9387840477944782
Energy: 1.9268096504248966
Energy: 2.270663561121242
Energy: 1.939981574778839
Energy: 1.9380054569439553
Energy: 1.9485017741840684
Energy: 1.9633739777401706
Energy: 2.115870246274524
Energy: 2.275311206087905
Energy: 1.9264553817326286
Energy: 2.273884593119971
Energy: 1.9544024154935176
Energy: 1.9059941815119423
Energy: 1.9050599934526298
Energy: 1.9432742830609322
Energy: 1.9319499910646056
Energy: 1.937229741454693
Energy: 2.2432241284037833
Energy: 2.3848375629661556
Energy: 2.0500633931297356
Energy: 1.926059991000957
Energy: 1.954960439108432
Energy: 1.9237783971772344
Energy: 1.9006285686554518
Energy: 2.114395023271788
Energy: 1.930173908562447
Energy: 1.7927505026860189
Energy: 1.989963831487558
Energy: 2.3502089455187862
Energy: 2.264336470133379
Energy: 2.2270749645578642
Energy: 1.9277316991937357
Energy: 1.9229464933255689
Energy: 1.909034574476485
Energy: 1.9958056252988472
Energy: 1.9441963893391636
Energy: 1.9410840744836553
Energy: 1.9331499518173998
Energy: 1.9224347658068235
Energy: 1.8400886554195712
Energy: 1.9080128416693862
Energy: 1.9865886310385712
Energy: 1.9933599884210897
Energy: 1.923062623853994
Energy: 2.0168970505740034
Energy: 1.9453647438656045
Energy: 1.9325797171132544
Energy: 1.9566797848695996
Energy: 2.089523755625466
Energy: 2.225431928022296
Energy: 2.236353219255604
Energy: 2.1454705893787516
Energy: 1.9688537251369946
Energy: 1.9103512667762763
Energy: 2.0338805410963037
Energy: 1.9572409055146323
Energy: 1.9339936283430006
Energy: 1.9428382003024827
Energy: 2.41032456707102
Energy: 2.278413313092066
Energy: 2.2642429072167025
Energy: 2.171070063673636
Energy: 1.9672423954849854
Energy: 2.017595043314465
Energy: 2.0154324991850614
Energy: 1.9204501238275615
Energy: 2.257717479768225
Energy: 2.073646300137501
Energy: 2.0812867040162546
Energy: 2.3696026768475615
Energy: 2.3739983722671005
Energy: 1.8147472037496668
Energy: 1.9547572557962478
Energy: 1.9697059506168042
Energy: 2.2093581853967654
Energy: 2.3761700082046033
Energy: 1.9786926245471312
Energy: 2.3188656965837704
Energy: 1.9653367177817376
Energy: 1.9344351495582977
Energy: 2.2008168778326733
Energy: 1.9772050057183983
Energy: 2.391889387448996
Energy: 2.363413844569708
Energy: 1.9371986294311898
Energy: 2.2060925887527083
Energy: 2.0184244093959283
Energy: 2.386609749646271
Energy: 2.393487465492503
Energy: 1.9757528424959323
Energy: 2.1582325077739286
Energy: 1.9346530458053386
Energy: 1.9648563011533953
Energy: 2.3727347934040606
Energy: 2.0027996729202457
Energy: 2.2229862014715236
Energy: 2.3678457256779586
Energy: 2.371658400788638
Energy: 2.3831917394667563
Energy: 1.9900350154547193
Energy: 2.141514228679887
Energy: 1.9476999610973351
Energy: 1.9002313767473067
Energy: 1.8966212565452545
Energy: 2.3711160512053078
Energy: 1.9121127821690087
Energy: 2.004461163113873
Energy: 2.2187920822069054
Energy: 1.9426373290158774
Energy: 2.2846100351160974
Energy: 2.092556395268555
Energy: 2.3758403978757765
Energy: 2.0768923766472476
Energy: 1.9466217890503255
Energy: 1.9359040534602707
Energy: 2.018209876083894
Energy: 2.0294800407927878
Energy: 1.9227273067592057
Energy: 1.9657058134573482
Energy: 2.1476883650069034
Energy: 2.3629299285453573
Energy: 2.2658434470269633
Energy: 2.4016772076930746
Energy: 1.9489377543436786
Energy: 1.9451879363480822
Energy: 1.9468533187221975
Energy: 2.015319763524513
Energy: 1.9239023291890565
Energy: 1.9788237220110094
Energy: 2.1526715894909696
Energy: 2.2089980195365975
Energy: 1.9893587309247502
Energy: 1.9277514340059994
Energy: 1.9216397205576472
Energy: 1.9475017694038947
Energy: 1.9191205972286782
Energy: 2.1365275709205642
Energy: 1.9925173179284041
Energy: 1.9228898408588586
Energy: 1.9334750616288146
Energy: 1.7821094394795187

minimum gb energy = 1.742363035403875 eV
minimum distance =  2.59592890705813 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.8668700223588348
Energy: 2.0123595101954086
Energy: 1.9026428841357939
Energy: 1.8948293764754334
Energy: 1.8957834113265868
Energy: 2.302796063343362
Energy: 1.911180123551475
Energy: 1.9302888768867024
Energy: 2.001556236545466
Energy: 2.011590622221773
Energy: 1.9660723761717414
Energy: 1.9173031274529386
Energy: 1.9060953936813902
Energy: 1.9218980284782023
Energy: 1.9016654254221894
Energy: 2.005480861691737
Energy: 1.90490222993845
Energy: 1.9009354186680516
Energy: 2.2139909269815528
Energy: 1.9399412899085346
Energy: 1.9949505933319298
Energy: 2.0262181668585812
Energy: 1.9283200442785948
Energy: 1.9090191584988045
Energy: 2.008577642465711
Energy: 2.0102741868082417
Energy: 1.9029411611522276
Energy: 1.9010904333204388
Energy: 1.9162276260264968
Energy: 1.9028578180913973
Energy: 2.1689296071628483
Energy: 1.9141954172842177
Energy: 1.9518760238754649
Energy: 1.9150376065068504
Energy: 2.0021498582610215
Energy: 2.0065477590766796
Energy: 1.9912142280856457
Energy: 2.098583028999226
Energy: 1.9481311232207514
Energy: 1.9568405186341753
Energy: 1.9069390654791756
Energy: 2.3204773651313992
Energy: 1.941622992463303
Energy: 1.9817038371272042
Energy: 2.0120685227155075
Energy: 2.00450845220759
Energy: 1.9956583333611655
Energy: 1.9028877042665973
Energy: 1.91483995170001
Energy: 1.926505214086762
Energy: 1.9237844418836982
Energy: 1.9232618802482175
Energy: 1.9251703743192212
Energy: 2.044549109374483
Energy: 1.9976579209403025
Energy: 2.0031788795556027
Energy: 2.012088233027212
Energy: 2.0430429024073504
Energy: 1.921710820711814
Energy: 1.9187473317484984
Energy: 1.9064782721662583
Energy: 2.5385509914206863
Energy: 2.0122023939836953
Energy: 2.0135683545980387
Energy: 1.9911744855816285
Energy: 2.230306963952383
Energy: 1.9795395469552468
Energy: 1.9364673833127068
Energy: 1.9213515162659505
Energy: 1.9135334613014954
Energy: 1.9072687876747763
Energy: 1.9099870479985575
Energy: 1.9279063175829667
Energy: 2.006644246720129
Energy: 2.228868365777289
Energy: 2.600974131752921
Energy: 2.015404337943331
Energy: 1.9924950901531486
Energy: 2.2310246981335773
Energy: 2.5424570669339714
Energy: 1.9011133384099261
Energy: 1.9155258820923848
Energy: 2.235395314993488
Energy: 1.9967666756014515
Energy: 2.0082327634649215
Energy: 2.0137910284229736
Energy: 1.9826083223950803
Energy: 2.028773171343173
Energy: 1.9228371515795402
Energy: 1.9268605581825786
Energy: 1.9104380596725357
Energy: 1.924458398290642
Energy: 1.9200775300004491
Energy: 1.9853023289546976
Energy: 2.0157152745099363
Energy: 2.036115940552915
Energy: 2.028027516908804
Energy: 2.0298201496283856
Energy: 2.012434811673482
Energy: 1.8901393882251465
Energy: 2.035109062411585
Energy: 1.9817926816174867
Energy: 1.9438377663610313
Energy: 2.0043909967029494
Energy: 2.037816360115118
Energy: 2.0085561851817317
Energy: 2.003290961450948
Energy: 1.910350350800752
Energy: 2.1473692387605845
Energy: 2.0432323402398773
Energy: 2.031768172161978
Energy: 1.891075860790758
Energy: 1.9425624858199206
Energy: 1.9201578923762643
Energy: 2.0085073179720503
Energy: 2.0138082761958973
Energy: 1.981757266395572
Energy: 1.9293382998629949
Energy: 1.9177487339174075
Energy: 2.018685748298794
Energy: 1.9358417160913772
Energy: 1.9325011665896197
Energy: 1.9028058699982575
Energy: 1.9195988648924598
Energy: 1.9293427206019647
Energy: 2.013888293828009
Energy: 1.9301367465624981
Energy: 1.9256815567361016
Energy: 1.965672373554923
Energy: 1.9921236404903295
Energy: 1.9618324704937917
Energy: 1.8713063245424766
Energy: 1.9024958202029785
Energy: 1.897194173644348
Energy: 1.9213574554390869
Energy: 2.2274718723684614
Energy: 1.892722812352632
Energy: 1.93117567709117
Energy: 2.0437131240483994
Energy: 2.1525240485137496

minimum gb energy = 1.8668700223588348 eV
minimum distance =  2.57606341217293 Angstroms
sigma value = 33