Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645806908607
cohesive_energy=4.290547129760511
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.016183085888928743
Energy: 0.1676310670692488
Energy: 0.01618308588856603
Energy: 0.1676310670692488
Energy: 0.016183085888928743
Energy: 0.16763106706884076
Energy: 0.016183085888928743
Energy: 0.016736983075160864
Energy: 0.6340343593403228
Energy: 0.016736983075160864
Energy: 0.6340343593399601
Energy: 0.016736983075160864
Energy: 0.6340343593403228
Energy: 0.016736983075160864
Energy: 0.016583066786087373
Energy: 0.5594722768719353
Energy: 0.016583066785679317
Energy: 0.5594722768719353
Energy: 0.016583066786087373
Energy: 0.5594722768719353
Energy: 0.016583066785679317
Energy: 0.016736983074798147
Energy: 0.6340343593407309
Energy: 0.016736983075160864
Energy: 0.6340343593399601
Energy: 0.016736983074798147
Energy: 0.6340343593403228
Energy: 0.016736983074798147
Energy: 0.016183085888928743
Energy: 0.1676310670692488
Energy: 0.01618308588856603
Energy: 0.1676310670692488
Energy: 0.016183085888928743
Energy: 0.1676310670692488
Energy: 0.016183085888928743
Energy: 0.016736983075160864
Energy: 0.6340343593403228
Energy: 0.01673698307439009
Energy: 0.6340343593399601
Energy: 0.016736983074798147
Energy: 0.6340343593403228
Energy: 0.016736983074798147

minimum gb energy = 0.01618308588856603 eV
minimum distance =  2.47653274369404 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.2894541689386445
Energy: 1.2637795133123069
Energy: 1.2894541689396195
Energy: 1.2637795122920474
Energy: 1.2894541689386445
Energy: 1.2637795125078954
Energy: 1.289454168940107
Energy: 1.194920786516919
Energy: 1.1893849289341782
Energy: 1.1949207865159441
Energy: 1.1893849289366154
Energy: 1.1949207865164315
Energy: 1.1893849289390526
Energy: 1.1949207865164315
Energy: 1.1645291272419354
Energy: 1.2083322310140665
Energy: 1.164529127241448
Energy: 1.2083322310126041
Energy: 1.164529127245835
Energy: 1.208332231014554
Energy: 1.1645291272453475
Energy: 1.1381817933792335
Energy: 1.2295768415733515
Energy: 1.138181793380696
Energy: 1.2295768415753014
Energy: 1.138181793380696
Energy: 1.2295768415753014
Energy: 1.138181793379721
Energy: 1.1361048870185728
Energy: 1.2374735076287577
Energy: 1.1361048870200352
Energy: 1.2374735076297325
Energy: 1.1361048870200352
Energy: 1.2374735076302201
Energy: 1.1361048870205226
Energy: 1.150855770351899
Energy: 1.2442624473893547
Energy: 1.1508557703514113
Energy: 1.244262447391792
Energy: 1.1508557703514113
Energy: 1.2442624473888673
Energy: 1.1508557703504365
Energy: 1.2266229438266818
Energy: 1.2462657996095396
Energy: 1.2266229438276568
Energy: 1.2462657996099828
Energy: 1.2266229438266818
Energy: 1.2462657996095396
Energy: 1.2266229438266818
Energy: 1.204426011056143
Energy: 1.2619746915223446
Energy: 1.2044260110576055
Energy: 1.2619746915203953
Energy: 1.2044260110532186
Energy: 1.2619746915218573
Energy: 1.2044260110532186
Energy: 1.2042758285595843
Energy: 1.2314491201015898
Energy: 1.204275828560559
Energy: 1.231449120103052
Energy: 1.2042758285590969
Energy: 1.2314491201011024
Energy: 1.2042758285600714
Energy: 1.126820228629742
Energy: 1.1250946229085168
Energy: 1.1268202286316917
Energy: 1.1250946229099792
Energy: 1.1268202286287672
Energy: 1.1250946229080294
Energy: 1.1268202286312043
Energy: 1.2009504643838718
Energy: 1.1598256703348475
Energy: 1.2009504643858215
Energy: 1.1598256703328977
Energy: 1.2009504643838718
Energy: 1.15982567033631
Energy: 1.2009504643858215
Energy: 1.1890363258976806
Energy: 1.1474695375447659
Energy: 1.1890363258976806
Energy: 1.1474695375457404
Energy: 1.1890363258976806
Energy: 1.1474695375447659
Energy: 1.189036325897193
Energy: 1.1795816633931935
Energy: 1.179327882987232
Energy: 1.1795816633931935
Energy: 1.1793278829819147
Energy: 1.179581663392706
Energy: 1.179327882983377
Energy: 1.179581663392706
Energy: 1.1945288309930047
Energy: 1.2221245420120335
Energy: 1.1945288309930047
Energy: 1.2221245420134959
Energy: 1.1945288309973918
Energy: 1.2221245420125209
Energy: 1.1945288309973918
Energy: 1.1659967538670364
Energy: 1.189382739407869
Energy: 1.1659967538684988
Energy: 1.1893827394073817
Energy: 1.1659967538684988
Energy: 1.1893827394059193
Energy: 1.165996753866549
Energy: 1.163528167028443
Energy: 1.166081382680948
Energy: 1.1635281670279554
Energy: 1.1660813826799732
Energy: 1.1635281670279554
Energy: 1.166081382681923
Energy: 1.1635281670303927
Energy: 1.227208008940924
Energy: 1.2178985993688605
Energy: 1.227208008940924
Energy: 1.2178985993678855
Energy: 1.2272080089370245
Energy: 1.217898599368373
Energy: 1.2272080089414115
Energy: 1.1543589629418045
Energy: 1.1852890780089183
Energy: 1.1543589629408297
Energy: 1.1852890780079433
Energy: 1.1543589629413171
Energy: 1.1852890780084306
Energy: 1.1543589629403423
Energy: 1.251322746076837
Energy: 1.2142546990498924
Energy: 1.2513227460802492
Energy: 1.2142546990518421
Energy: 1.251322746075862
Energy: 1.2142546990518421
Energy: 1.2513227460787866
Energy: 1.2482026568950622
Energy: 1.1872544323406238
Energy: 1.2482026568960372
Energy: 1.187254432344036
Energy: 1.2482026568960372
Energy: 1.1872544323425736
Energy: 1.2482026568960372
Energy: 1.168068237849481
Energy: 1.1588324253429265
Energy: 1.1680682378475313
Energy: 1.1588324253429265
Energy: 1.168068237849481
Energy: 1.158832425344876
Energy: 1.1680682378475313
Energy: 1.1719369660106922
Energy: 1.1609182025584401
Energy: 1.171936966011667
Energy: 1.1609182025589275
Energy: 1.1719369660102046
Energy: 1.1609182025589275
Energy: 1.1719369660102046
Energy: 1.174698179582218
Energy: 1.2164073475320156
Energy: 1.1746981795841673
Energy: 1.216407347532503
Energy: 1.1746981795827052
Energy: 1.2164073475320156
Energy: 1.1746981795841673
Energy: 1.177517336877112
Energy: 1.1847162743253337
Energy: 1.1775173368790617
Energy: 1.184716274324846
Energy: 1.177517336877112
Energy: 1.1847162743243587
Energy: 1.1775173368800365
Energy: 1.2596646559279654
Energy: 1.276787147607392
Energy: 1.2596646559304026
Energy: 1.2767871476098294
Energy: 1.2596646559274778
Energy: 1.2767871476078796
Energy: 1.2596646559255282
Energy: 1.2367008512802646
Energy: 1.280993066242061
Energy: 1.2367008512792896
Energy: 1.2809930662415736
Energy: 1.2367008512792896
Energy: 1.2809930662386488
Energy: 1.2367008512802646
Energy: 1.169429308986402
Energy: 1.2067185624985475
Energy: 1.169429308987377
Energy: 1.2067185625000099
Energy: 1.1694293089883518
Energy: 1.2067185625004972
Energy: 1.169429308986402
Energy: 1.1878195678755317
Energy: 1.1587089284552383
Energy: 1.18781956786822
Energy: 1.158708928452801
Energy: 1.1878195678652954
Energy: 1.1587089284567005
Energy: 1.1878195678613959
Energy: 1.1211637135617878
Energy: 1.1693419443798814
Energy: 1.1211637135603254
Energy: 1.1693419443798814
Energy: 1.121163713560813
Energy: 1.1693419443798814
Energy: 1.121163713558863
Energy: 1.1795204222406432
Energy: 1.278324860762922
Energy: 1.1795204222421056
Energy: 1.2783248607634097
Energy: 1.1795204222430804
Energy: 1.278324860762922
Energy: 1.1795204222455178
Energy: 1.1869884959094725
Energy: 1.2449256397918371
Energy: 1.186988492798532
Energy: 1.2449256397884252
Energy: 1.1869884919673555
Energy: 1.2449256397923247
Energy: 1.2199113014016554
Energy: 1.1986166499824806
Energy: 1.196293996376495
Energy: 1.1986166499854054
Energy: 1.1962939963750325
Energy: 1.198616649983943
Energy: 1.1962939963750325
Energy: 1.1986166499834554
Energy: 1.1555682204777533
Energy: 1.1887392024905357
Energy: 1.1555682204777533
Energy: 1.1887392024885859
Energy: 1.1555682204767783
Energy: 1.188739202490048
Energy: 1.1555682204767783
Energy: 1.134518649163888
Energy: 1.2073885532463862
Energy: 1.1345186491643753
Energy: 1.2073885532454112
Energy: 1.1345186491634005
Energy: 1.2073885532468733
Energy: 1.1345186491643753
Energy: 1.1322366721645483
Energy: 1.2400165645978296
Energy: 1.1322366721640609
Energy: 1.2400165645992918
Energy: 1.1322366721640609
Energy: 1.2400165645988044
Energy: 1.1322366721640609
Energy: 1.2235950878841297
Energy: 1.2485406819332292
Energy: 1.2235950878855921
Energy: 1.248540681935179
Energy: 1.2235950878831547
Energy: 1.2485406819322544
Energy: 1.223595087886567
Energy: 1.1892162970465423
Energy: 1.2461319958222004
Energy: 1.1892162970475173
Energy: 1.2461319958202508
Energy: 1.1892162970441051
Energy: 1.246131995821713
Energy: 1.189216297046055
Energy: 1.205159310248366
Energy: 1.2622127619713814
Energy: 1.205159310248366
Energy: 1.2622127619704064
Energy: 1.2051593102493408
Energy: 1.2622127619713814
Energy: 1.2051593102508031
Energy: 1.206759042736133
Energy: 1.2308842404588696
Energy: 1.2067590427375952
Energy: 1.2308842404569198
Energy: 1.2067590427356456
Energy: 1.2308842404588696
Energy: 1.2067590427366206
Energy: 1.122144099084433
Energy: 1.1371832692780923
Energy: 1.1221440991185536
Energy: 1.1371832692761425
Energy: 1.122144099018185
Energy: 1.1371832692780923
Energy: 1.1221440989962503
Energy: 1.2378283508042536
Energy: 1.160447893771399
Energy: 1.2378283508037662
Energy: 1.1604478938006453
Energy: 1.237828350805716
Energy: 1.1604478937397154
Energy: 1.2378283508042536
Energy: 1.1885640373619775
Energy: 1.1475436019024479
Energy: 1.1885640373595403
Energy: 1.1475436018990357
Energy: 1.1885640373600277
Energy: 1.1475436019019603
Energy: 1.188564037359053
Energy: 1.2419043421468294
Energy: 1.2069316602602342
Energy: 1.2419043421468294
Energy: 1.2069316602597469
Energy: 1.2419043421473168
Energy: 1.2069316602597469
Energy: 1.2419043421478044
Energy: 1.2043614885912226
Energy: 1.221187711473848
Energy: 1.2043614885912226
Energy: 1.2211877114733607
Energy: 1.2043614885941474
Energy: 1.2211877114772602
Energy: 1.2043614885917102
Energy: 1.1724591327797
Energy: 1.1836690830563763
Energy: 1.1724591327816496
Energy: 1.1836690830563763
Energy: 1.1724591327821372
Energy: 1.183669083058326
Energy: 1.17245913277775
Energy: 1.1645147342380018
Energy: 1.1784459005662336
Energy: 1.1645147342399513
Energy: 1.1784459005676957
Energy: 1.164514734241414
Energy: 1.1784459005657462
Energy: 1.164514734239464
Energy: 1.1568584421968402
Energy: 1.1955707835005829
Energy: 1.1568584421963528
Energy: 1.1955707835025329
Energy: 1.1568584421968402
Energy: 1.195570783499608
Energy: 1.1568584421963528

minimum gb energy = 1.121163713558863 eV
minimum distance =  2.31298126931896 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.3169075756477224
Energy: 1.2710300014284146
Energy: 1.3169075756471693
Energy: 1.271030001427861
Energy: 1.3169075756482758
Energy: 1.2710300014289677
Energy: 1.316907575646616
Energy: 1.1682077847771233
Energy: 1.2165752054665095
Energy: 1.1682077847754633
Energy: 1.2165752054659562
Energy: 1.1682077847782297
Energy: 1.2165752054665095
Energy: 1.1682077847782297
Energy: 1.1787644382398392
Energy: 1.193554989794002
Energy: 1.1787644382398392
Energy: 1.193554989794002
Energy: 1.1787644382381792
Energy: 1.1935549897928956
Energy: 1.178764438239286
Energy: 1.1445206539424895
Energy: 1.3150318775149243
Energy: 1.144520653939723
Energy: 1.315031877513818
Energy: 1.1445206539419361
Energy: 1.3150318775127112
Energy: 1.1445206539386164
Energy: 1.1448423302833157
Energy: 1.273362753472261
Energy: 1.1448423302833157
Energy: 1.273362753472814
Energy: 1.1448423302827626
Energy: 1.273362753472261
Energy: 1.1448423302827626
Energy: 1.2177099674168903
Energy: 1.2304986919015206
Energy: 1.2177099674168903
Energy: 1.2304986918993073
Energy: 1.2177099674157839
Energy: 1.2304986919015206
Energy: 1.2177099674179972
Energy: 1.2177903566682
Energy: 1.2302025882724774
Energy: 1.2177903566704134
Energy: 1.2302025882724774
Energy: 1.217790356667647
Energy: 1.2302025882724774
Energy: 1.2177903566704134
Energy: 1.215895518555933
Energy: 1.2733271481882174
Energy: 1.2158955185548266
Energy: 1.2733271481887707
Energy: 1.2158955185520601
Energy: 1.2733271481909838
Energy: 1.2158955185548266
Energy: 1.2163171026444655
Energy: 1.273239095143643
Energy: 1.216317102643359
Energy: 1.273239095143643
Energy: 1.216317102643359
Energy: 1.273239095143643
Energy: 1.2163171026428055
Energy: 1.1692084401776897
Energy: 1.2285122559021981
Energy: 1.169208440176583
Energy: 1.228512255900538
Energy: 1.1692084401776897
Energy: 1.2285122559021981
Energy: 1.1692084401760299
Energy: 1.1693401313545175
Energy: 1.2599339651634152
Energy: 1.1693401313550709
Energy: 1.259933965164522
Energy: 1.1693401313561775
Energy: 1.2599339651639685
Energy: 1.1693401313545175
Energy: 1.174286576716193
Energy: 1.1776491769381048
Energy: 1.1742865767134265
Energy: 1.1776491769386581
Energy: 1.1742865767167463
Energy: 1.177649176936998
Energy: 1.1742865767139798
Energy: 1.17729073352305
Energy: 1.1973791483180771
Energy: 1.1772907335241565
Energy: 1.1973791483175238
Energy: 1.17729073352305
Energy: 1.1973791483186305
Energy: 1.1772907335241565
Energy: 1.288668319802963
Energy: 1.2246994984338964
Energy: 1.2886683198018567
Energy: 1.224699498433343
Energy: 1.2886683198013031
Energy: 1.224699498433343
Energy: 1.2886683198024098
Energy: 1.1336675306329402
Energy: 1.2168008630743885
Energy: 1.133667530634047
Energy: 1.216800863073282
Energy: 1.1336675306334936
Energy: 1.216800863071622
Energy: 1.133667530634047
Energy: 1.1783232705353817
Energy: 1.1929688323850858
Energy: 1.178323270534275
Energy: 1.192968832385639
Energy: 1.178323270534828
Energy: 1.1929688323850858
Energy: 1.1783232705337217
Energy: 1.1445206539408295
Energy: 1.2900113834343776
Energy: 1.1445206539380628
Energy: 1.2900113834332712
Energy: 1.1445206539408295
Energy: 1.2900113834327178
Energy: 1.1445206539375097
Energy: 1.144842330281656
Energy: 1.2735804248634939
Energy: 1.144842330281656
Energy: 1.273580424861834
Energy: 1.1448423302822093
Energy: 1.2735804248634939
Energy: 1.1448423302811028
Energy: 1.2177099674163372
Energy: 1.2304986919009673
Energy: 1.2177099674174439
Energy: 1.2304986918998606
Energy: 1.2177099674174439
Energy: 1.2304986919009673
Energy: 1.2177099674174439
Energy: 1.21779035666986
Energy: 1.2302025882735839
Energy: 1.21779035666986
Energy: 1.2302025882730305
Energy: 1.21779035666986
Energy: 1.2302025882730305
Energy: 1.217790356669307
Energy: 1.2160442526593245
Energy: 1.2735580738319578
Energy: 1.2160442526593245
Energy: 1.2735580738336176
Energy: 1.2160442526587711
Energy: 1.2735580738330645
Energy: 1.2160442526598778
Energy: 1.2163653541088837
Energy: 1.2730206293047672
Energy: 1.2163653541088837
Energy: 1.2730206293031074
Energy: 1.216365354109437
Energy: 1.273020629302554
Energy: 1.2163653541088837
Energy: 1.169143489457195
Energy: 1.228512255903858
Energy: 1.1691434894577486
Energy: 1.2285122559016448
Energy: 1.1691434894577486
Energy: 1.2285122559027513
Energy: 1.169143489457195
Energy: 1.1688569587561697
Energy: 1.2599339651623087
Energy: 1.1688569587517434
Energy: 1.2599339651639685
Energy: 1.1688569587534032
Energy: 1.259933965162862
Energy: 1.1688569587556163
Energy: 1.1742865767167463
Energy: 1.1776491769397646
Energy: 1.1742865767145332
Energy: 1.1776491769397646
Energy: 1.174286576716193
Energy: 1.1776491769392112
Energy: 1.1742865767145332
Energy: 1.2228019174652605
Energy: 1.1973791483180771
Energy: 1.222801917468027
Energy: 1.1973791483180771
Energy: 1.2228019174669205
Energy: 1.197379148319737
Energy: 1.2228019174685802
Energy: 1.316907575646616
Energy: 1.2710300014289677
Energy: 1.316907575646616
Energy: 1.2710300014284146
Energy: 1.3169075756488289
Energy: 1.2710300014295208
Energy: 1.3169075756455093
Energy: 1.1682077847760168
Energy: 1.216575205467063
Energy: 1.1682077847743568
Energy: 1.2165752054659562
Energy: 1.16820778477657
Energy: 1.2165752054659562
Energy: 1.1682077847776766
Energy: 1.1787644382398392
Energy: 1.1935549897951088
Energy: 1.1787644382409457
Energy: 1.193554989794002
Energy: 1.1787644382387326
Energy: 1.1935549897945554
Energy: 1.1787644382398392
Energy: 1.1445206539419361
Energy: 1.3150318775154777
Energy: 1.1445206539408295
Energy: 1.3150318775149243
Energy: 1.1445206539430426
Energy: 1.3150318775154777
Energy: 1.144520653939723
Energy: 1.1448423302827626
Energy: 1.273362753472261
Energy: 1.1448423302822093
Energy: 1.2733627534733671
Energy: 1.1448423302838693
Energy: 1.2733627534733671
Energy: 1.144842330281656
Energy: 1.2177099674179972
Energy: 1.230498691902627
Energy: 1.2177099674163372
Energy: 1.2304986919015206
Energy: 1.2177099674163372
Energy: 1.2304986919020737
Energy: 1.2177099674174439
Energy: 1.217790356667647
Energy: 1.2302025882735839
Energy: 1.21779035666986
Energy: 1.2302025882741372
Energy: 1.2177903566682
Energy: 1.2302025882735839
Energy: 1.2177903566687533
Energy: 1.2158955185570397
Energy: 1.2733271481882174
Energy: 1.2158955185542732
Energy: 1.2733271481882174
Energy: 1.2158955185520601
Energy: 1.273327148189877
Energy: 1.21589551855538
Energy: 1.2163171026439124
Energy: 1.2732390951441963
Energy: 1.2163171026439124
Energy: 1.2732390951447499
Energy: 1.2163171026444655
Energy: 1.2732390951447499
Energy: 1.216317102643359
Energy: 1.1692084401776897
Energy: 1.2285122559016448
Energy: 1.1692084401776897
Energy: 1.228512255900538
Energy: 1.1692084401781928
Energy: 1.2285122559016448
Energy: 1.169208440176583
Energy: 1.1693401313561775
Energy: 1.2599339651617554
Energy: 1.1693401313550709
Energy: 1.2599339651634152
Energy: 1.1693401313572842
Energy: 1.2599339651623087
Energy: 1.1693401313567309
Energy: 1.1742865767172999
Energy: 1.1776491769386581
Energy: 1.1742865767150863
Energy: 1.1776491769392112
Energy: 1.1742865767172999
Energy: 1.1776491769386581
Energy: 1.1742865767139798
Energy: 1.1772907335236031
Energy: 1.1973791483175238
Energy: 1.1772907335247098
Energy: 1.1973791483186305
Energy: 1.1772907335241565
Energy: 1.1973791483186305
Energy: 1.1772907335247098
Energy: 1.288668319802963
Energy: 1.224699498433343
Energy: 1.2886683198018567
Energy: 1.22469949843279
Energy: 1.2886683198024098
Energy: 1.224699498433343
Energy: 1.2886683198007498
Energy: 1.1336675306318338
Energy: 1.216800863073835
Energy: 1.1336675306334936
Energy: 1.2168008630727285
Energy: 1.1336675306329402
Energy: 1.216800863071622
Energy: 1.1336675306329402

minimum gb energy = 1.1336675306318338 eV
minimum distance =  2.32077595395259 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.233984618111782
Energy: 1.300205146966943
Energy: 1.1908182911996747
Energy: 1.237684756582521
Energy: 1.233984618110504
Energy: 1.300205146967582
Energy: 1.1908182911996747
Energy: 1.173802427272706
Energy: 1.1522363267389062
Energy: 1.1495481777160523
Energy: 1.15024276770874
Energy: 1.173802427272706
Energy: 1.1522363267395452
Energy: 1.1495481777147747
Energy: 1.1621298384321752
Energy: 1.2190092487618065
Energy: 1.162105510883085
Energy: 1.231717249571346
Energy: 1.1621298384340921
Energy: 1.2190092487611675
Energy: 1.1621055108843628
Energy: 1.1919142475837572
Energy: 1.248646582020201
Energy: 1.238956429009294
Energy: 1.248646582020201
Energy: 1.1919142475818696
Energy: 1.24864658202084
Energy: 1.2389564290080162
Energy: 1.2801459083750801
Energy: 1.2633487238553136
Energy: 1.2800430736176303
Energy: 1.2633487238540357
Energy: 1.280145908375719
Energy: 1.2633487238540357
Energy: 1.2800430736182693
Energy: 1.2079647645882587
Energy: 1.3522142702617708
Energy: 1.2079647645895366
Energy: 1.3576031965925888
Energy: 1.2079647645888976
Energy: 1.3522142702636875
Energy: 1.20796476458762
Energy: 1.2194025440465732
Energy: 1.3191372957413403
Energy: 1.2194025440465732
Energy: 1.3206247877115413
Energy: 1.2194025440459344
Energy: 1.3191372957413403
Energy: 1.2194025440459344
Energy: 1.252049913940314
Energy: 1.2662796439103021
Energy: 1.2520499139422308
Energy: 1.2662796439103021
Energy: 1.2520499139409529
Energy: 1.2662796439103021
Energy: 1.252049913940314
Energy: 1.251849370505584
Energy: 1.2681831710484066
Energy: 1.251849370505584
Energy: 1.2681831710484066
Energy: 1.2518493705043061
Energy: 1.2681831710496845
Energy: 1.251849370504945
Energy: 1.1490116436143283
Energy: 1.2317398854559463
Energy: 1.1490151608509487
Energy: 1.235458912481067
Energy: 1.1490116436143283
Energy: 1.2317398854553074
Energy: 1.1490151608515877
Energy: 1.1524580651775802
Energy: 1.2547592100097662
Energy: 1.1524921215401716
Energy: 1.254731352701563
Energy: 1.1524580651775802
Energy: 1.2547592100097662
Energy: 1.1524921215401716
Energy: 1.265934032666407
Energy: 1.2649164604433414
Energy: 1.2659340326651292
Energy: 1.2649164604433414
Energy: 1.265934032665768
Energy: 1.2649164604420637
Energy: 1.265934032665768
Energy: 1.2622776456693499
Energy: 1.2749098845896307
Energy: 1.2622776456687108
Energy: 1.274909884588992
Energy: 1.2622776456687108
Energy: 1.274909884588992
Energy: 1.2622776456687108
Energy: 1.1988621233768253
Energy: 1.2115947842832422
Energy: 1.1988621233768253
Energy: 1.211594784283881
Energy: 1.1988621233768253
Energy: 1.211594784283881
Energy: 1.1988621233768253
Energy: 1.2887565503509901
Energy: 1.2052040846029215
Energy: 1.248827286754881
Energy: 1.2060943859994113
Energy: 1.2887565503516292
Energy: 1.2052040846041991
Energy: 1.2488272867536032
Energy: 1.2481867991955033
Energy: 1.2671644056432496
Energy: 1.187177471950162
Energy: 1.2671644056432496
Energy: 1.2481867991955033
Energy: 1.2671644056432496
Energy: 1.187177471950162
Energy: 1.1627126443899904
Energy: 1.1978801426573737
Energy: 1.1570867841237427
Energy: 1.215644967234858
Energy: 1.1627126443893516
Energy: 1.1978801426560959
Energy: 1.1570867841237427
Energy: 1.1605769134988364
Energy: 1.2249904784130448
Energy: 1.1605969076496834
Energy: 1.2297975340902778
Energy: 1.1605769134988364
Energy: 1.2249904784117671
Energy: 1.1605969076484055
Energy: 1.2825626204820635
Energy: 1.3906388175913127
Energy: 1.2825626204807856
Energy: 1.2753014963892093
Energy: 1.2659529441165098
Energy: 1.3906388175919515
Energy: 1.283312710641272
Energy: 1.251805430802185
Energy: 1.3208373482280282
Energy: 1.2518054308015463
Energy: 1.3052775852972929
Energy: 1.251805430802185
Energy: 1.3208373482280282
Energy: 1.2518054308015463
Energy: 1.1998270572800036
Energy: 1.2153362770342273
Energy: 1.1998270572800036
Energy: 1.2153362770342273
Energy: 1.1998270572800036
Energy: 1.2153362770348664
Energy: 1.1998270572793648
Energy: 1.1932991616282134
Energy: 1.2742805824358168
Energy: 1.193299161629491
Energy: 1.2742805824358168
Energy: 1.193299161628852
Energy: 1.2742805824358168
Energy: 1.193299161629491
Energy: 1.3125941850248017
Energy: 1.252377942991047
Energy: 1.2676828377889855
Energy: 1.218097879109063
Energy: 1.2763256970891919
Energy: 1.252377942991047
Energy: 1.2356070192145732
Energy: 1.2870218558714723
Energy: 1.308546428804209
Energy: 1.2338303230869576
Energy: 1.287181942023396
Energy: 1.2870218558721112
Energy: 1.308546428804209
Energy: 1.2338303230875964
Energy: 1.156654497134572
Energy: 1.1981168987505744
Energy: 1.1619051009973722
Energy: 1.1992535096419992
Energy: 1.1566544971352108
Energy: 1.1981168987512132
Energy: 1.1619051009973722
Energy: 1.2584981356879208
Energy: 1.2947466700022383
Energy: 1.2583859904548056
Energy: 1.3035158823321522
Energy: 1.2584981356879208
Energy: 1.2947466700015993
Energy: 1.2583859904548056
Energy: 1.1744321640662725
Energy: 1.2632321651277432
Energy: 1.240729673782251
Energy: 1.2632321651271043
Energy: 1.2096632777981708
Energy: 1.2632321651264653
Energy: 1.271452507277237
Energy: 1.2579182935873923
Energy: 1.3361393372358858
Energy: 1.2579182935873923
Energy: 1.3423722178751274
Energy: 1.2579182935873923
Energy: 1.3361393372346084
Energy: 1.2579182935880309
Energy: 1.2094832962341688
Energy: 1.2061376592475288
Energy: 1.2094832962335298
Energy: 1.2061376592475288
Energy: 1.2094832962335298
Energy: 1.2061376592481678
Energy: 1.2094832962335298
Energy: 1.2341972063804714
Energy: 1.2705226339366997
Energy: 1.2341972063804714
Energy: 1.2705226339354219
Energy: 1.2341972063798325
Energy: 1.270522633934783
Energy: 1.2341972063798325
Energy: 1.2031051211655897
Energy: 1.267551540151843
Energy: 1.2031051211649508
Energy: 1.2675515401524817
Energy: 1.2031051211649508
Energy: 1.2675515401524817
Energy: 1.2582647779102263
Energy: 1.153803890614023
Energy: 1.229162274842575
Energy: 1.1537681063138037
Energy: 1.2485293622327076
Energy: 1.1538038906127455
Energy: 1.229162274841936
Energy: 1.1537681063144425
Energy: 1.1508219373511588
Energy: 1.169734851036729
Energy: 1.1507047197123181
Energy: 1.1696500639178369
Energy: 1.1508219373511588
Energy: 1.16973485103609
Energy: 1.1507047197123181
Energy: 1.2686592068086289
Energy: 1.316868239411644
Energy: 1.2686592068067122
Energy: 1.316868239411644
Energy: 1.2686592068067122
Energy: 1.3168682394110052
Energy: 1.2686592068060734
Energy: 1.3053452477802765
Energy: 1.3115092623163367
Energy: 1.305326283654696
Energy: 1.2713102194597403
Energy: 1.3053452477796375
Energy: 1.3115092623169466
Energy: 1.3053262836540571
Energy: 1.1961071651796666
Energy: 1.2182101614247929
Energy: 1.1961071651809445
Energy: 1.2182101614254315
Energy: 1.1961071651809445
Energy: 1.2182101614260703
Energy: 1.1961071651803055

minimum gb energy = 1.1490116436143283 eV
minimum distance =  2.22157797744545 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.1881379436930168
Energy: 1.2273184621116424
Energy: 1.1881379436922628
Energy: 1.2273184621131503
Energy: 1.188137943691509
Energy: 1.2273184621123965
Energy: 1.188137943691509
Energy: 1.2347482476583935
Energy: 1.0961265904976272
Energy: 1.2347482476591476
Energy: 1.0961265904976272
Energy: 1.2347482476591476
Energy: 1.0961265904983812
Energy: 1.2347482476591476
Energy: 1.152374415038918
Energy: 1.1292012952748454
Energy: 1.1523744150381638
Energy: 1.1292012952748454
Energy: 1.1523744150374096
Energy: 1.1292012952748454
Energy: 1.152374415038918
Energy: 1.2483168302311316
Energy: 1.0957628804616593
Energy: 1.2483168302318857
Energy: 1.0957628804624133
Energy: 1.2483168302318857
Energy: 1.0957628804609052
Energy: 1.2483168302318857
Energy: 1.2312493527376225
Energy: 1.0969917150883524
Energy: 1.2312493527383763
Energy: 1.0969917150875985
Energy: 1.2312493527383763
Energy: 1.0969917150875985
Energy: 1.2312493527383763
Energy: 1.2479815299385448
Energy: 1.1506110326567065
Energy: 1.2479815299385448
Energy: 1.1506110326567065
Energy: 1.2479815299377908
Energy: 1.1506110326574603
Energy: 1.2479815299377908
Energy: 1.1750220521146362
Energy: 1.1928026605141293
Energy: 1.175022052107096
Energy: 1.1928026605148832
Energy: 1.1750220520988017
Energy: 1.1928026605163915
Energy: 1.2607218095819477
Energy: 1.2171547420323103
Energy: 1.1572887536097531
Energy: 1.2171547420315563
Energy: 1.1572887536097531
Energy: 1.2171547420315563
Energy: 1.1572887536097531
Energy: 1.2171547420330644
Energy: 1.2529717664771727
Energy: 1.1578033916658668
Energy: 1.2529717664764184
Energy: 1.1578033916651127
Energy: 1.2529717664764184
Energy: 1.1578033916658668
Energy: 1.2529717664771727
Energy: 1.1546552216690233
Energy: 1.2029714484729241
Energy: 1.1546552216697774
Energy: 1.202971448473678
Energy: 1.1546552216697774
Energy: 1.202971448473678
Energy: 1.1546552216690233
Energy: 1.2186935293742247
Energy: 1.197219493644242
Energy: 1.2536046464477248
Energy: 1.197219493644242
Energy: 1.234038830825201
Energy: 1.1972194936427338
Energy: 1.234038830825201
Energy: 1.1519527842678672
Energy: 1.0957439231181656
Energy: 1.1519527842678672
Energy: 1.0957439231181656
Energy: 1.1519527842678672
Energy: 1.0957439231174118
Energy: 1.1519527842678672
Energy: 1.18782399166579
Energy: 1.111953731495626
Energy: 1.187823991665036
Energy: 1.111953731495626
Energy: 1.1878239916635278
Energy: 1.1119537314971342
Energy: 1.187823991665036
Energy: 1.1546940363086564
Energy: 1.0962907733255915
Energy: 1.1546940363079023
Energy: 1.0962907733255915
Energy: 1.1546940363079023
Energy: 1.0962907733248375
Energy: 1.1546940363079023
Energy: 1.2216082810564173
Energy: 1.1589052343408548
Energy: 1.221608281085824
Energy: 1.1589052343401007
Energy: 1.2216082810812998
Energy: 1.1589052343401007
Energy: 1.3206758361570148
Energy: 1.1546450817130356
Energy: 1.150435298454997
Energy: 1.1546450817115277
Energy: 1.150435298453489
Energy: 1.1546450817115277
Energy: 1.1504352984542427
Energy: 1.1546450817122818
Energy: 1.2644462183654426
Energy: 1.1573331269184814
Energy: 1.2644462183654426
Energy: 1.1573331269192355
Energy: 1.2644462183631804
Energy: 1.1573331269184814
Energy: 1.2644462183639347
Energy: 1.2141442359558412
Energy: 1.157236056765076
Energy: 1.2141442359558412
Energy: 1.157236056764322
Energy: 1.214144235956595
Energy: 1.1572360567628142
Energy: 1.214144235956595
Energy: 1.1735802767414054
Energy: 1.1858948712742348
Energy: 1.173580276764026
Energy: 1.1858948712727269
Energy: 1.173580276763272
Energy: 1.1858948712734807
Energy: 1.1735802768039547
Energy: 1.1545268062906462
Energy: 1.2017680867920915
Energy: 1.1545268062906462
Energy: 1.2017680867913374
Energy: 1.1545268062914003
Energy: 1.2017680867920915
Energy: 1.1545268062921543
Energy: 1.2299272761278384
Energy: 1.0964266337965898
Energy: 1.2299272761301003
Energy: 1.0964266337958355
Energy: 1.2299272761301003
Energy: 1.0964266337958355
Energy: 1.2299272761301003
Energy: 1.1527493074437551
Energy: 1.0956265300055301
Energy: 1.1527493074437551
Energy: 1.095626530007038
Energy: 1.152749307444509
Energy: 1.095626530007038
Energy: 1.152749307442247
Energy: 1.229203988818262
Energy: 1.1314374454364486
Energy: 1.229203988818262
Energy: 1.1314374454364486
Energy: 1.2292039888190158
Energy: 1.1314374454387108
Energy: 1.229203988817508
Energy: 1.2328804541541292
Energy: 1.0954811297618012
Energy: 1.2328804541541292
Energy: 1.0954811297618012
Energy: 1.2328804541548832
Energy: 1.0954811297618012
Energy: 1.2328804541541292
Energy: 1.2486014860392132
Energy: 1.1523296896961717
Energy: 1.248601486038459
Energy: 1.1523296896961717
Energy: 1.2486014860399675
Energy: 1.1523296896961717
Energy: 1.2486014860399675
Energy: 1.235827316193675
Energy: 1.1514649263241066
Energy: 1.235827316193675
Energy: 1.1514649263248606
Energy: 1.235827316193675
Energy: 1.1514649263248606
Energy: 1.235827316193675
Energy: 1.2128134404308615
Energy: 1.18135070646306
Energy: 1.2128134404301074
Energy: 1.1813507064623057
Energy: 1.2128134404308615
Energy: 1.1813507064638138
Energy: 1.2128134404301074
Energy: 1.2349570582644587
Energy: 1.158743530020849
Energy: 1.2349570582644587
Energy: 1.158743530020095
Energy: 1.2349570582652127
Energy: 1.158743530020849
Energy: 1.2349570582644587
Energy: 1.1881379436922628
Energy: 1.2273184621123965
Energy: 1.1881379436907549
Energy: 1.2273184621131503
Energy: 1.1881379436922628
Energy: 1.2273184621116424
Energy: 1.1881379436907549
Energy: 1.2347482476583935
Energy: 1.0961265904976272
Energy: 1.2347482476583935
Energy: 1.0961265904976272
Energy: 1.2347482476583935
Energy: 1.0961265904991353
Energy: 1.2347482476576397

minimum gb energy = 1.0954811297618012 eV
minimum distance =  2.28537836372573 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1391797920588242
Energy: 1.1242110683859354
Energy: 1.1391797920597397
Energy: 1.1242110683868505
Energy: 1.1391797920606548
Energy: 1.1242110683859354
Energy: 1.1391797920597397
Energy: 1.0896479311371032
Energy: 1.0659056776499578
Energy: 1.0896479311371032
Energy: 1.0659056776499578
Energy: 1.0896479311371032
Energy: 1.0659056776490425
Energy: 1.0896479311371032
Energy: 1.1121352446608588
Energy: 1.0958299243286702
Energy: 1.1121352446608588
Energy: 1.0958299243286702
Energy: 1.1121352446608588
Energy: 1.0958299243286702
Energy: 1.1121352446599433
Energy: 1.0416318688058326
Energy: 1.0523623139642424
Energy: 1.041631868806748
Energy: 1.0523623049612765
Energy: 1.0416318688058326
Energy: 1.0523623098058668
Energy: 1.041631868806748
Energy: 1.0117777255942322
Energy: 1.0536613697754682
Energy: 1.0117777255942322
Energy: 1.0536613697745527
Energy: 1.0117777255942322
Energy: 1.0536613697754682
Energy: 1.0117777255942322
Energy: 1.0247072313618208
Energy: 1.0935642470517026
Energy: 1.0247072313627363
Energy: 1.0935642470517026
Energy: 1.0247072313618208
Energy: 1.093564247052618
Energy: 1.0247072313627363
Energy: 0.9703382027496533
Energy: 1.0052026647077643
Energy: 0.9703382027514841
Energy: 1.005202576536394
Energy: 0.9703382027505687
Energy: 1.0052026592703238
Energy: 0.9703382027514841
Energy: 0.986381814703222
Energy: 1.0715808202471455
Energy: 0.986381814703222
Energy: 1.0715808202480606
Energy: 0.986381814703222
Energy: 1.0715808202480606
Energy: 0.9863818147023276
Energy: 1.0423863395826494
Energy: 1.024812621704394
Energy: 1.0423863395817343
Energy: 1.024812621704394
Energy: 1.0423863395817343
Energy: 1.0248126217062246
Energy: 1.0423863395817343
Energy: 1.0419554417407797
Energy: 1.244031985065612
Energy: 1.0419554417407797
Energy: 1.2440319850665276
Energy: 1.0419554417407797
Energy: 1.244031985065612
Energy: 1.0419554417407797
Energy: 0.9705211321656944
Energy: 1.0714895934739244
Energy: 0.9705211321666097
Energy: 1.0714895934739244
Energy: 0.9705211321656944
Energy: 1.0714895934739244
Energy: 0.9705211321666097
Energy: 0.9861746441845022
Energy: 1.07713392940035
Energy: 0.9861746441845022
Energy: 1.07713392940035
Energy: 0.9861746441854173
Energy: 1.07713392940035
Energy: 0.9861746441854173
Energy: 1.0422167588197597
Energy: 1.024835599032875
Energy: 1.0422167588188442
Energy: 1.024835599032875
Energy: 1.0422167588188442
Energy: 1.024835599032875
Energy: 1.0422167588188442
Energy: 1.0633699156933054
Energy: 1.0538687406997582
Energy: 1.06336991569239
Energy: 1.0538687406988427
Energy: 1.06336991569239
Energy: 1.0538687407006735
Energy: 1.06336991569239
Energy: 1.0888311679773057
Energy: 1.0714856383495377
Energy: 1.0888311681913918
Energy: 1.071485638350453
Energy: 1.0888311679635758
Energy: 1.071485638350453
Energy: 1.0888311679498457
Energy: 1.0906752114127558
Energy: 1.0331315370731513
Energy: 1.090675211413671
Energy: 1.0331315370740668
Energy: 1.0906752114127558
Energy: 1.0331315370722363
Energy: 1.0906752114127558
Energy: 1.105414436481166
Energy: 1.0567729050877344
Energy: 1.105414436481166
Energy: 1.0567729050877344
Energy: 1.105414436481166
Energy: 1.0567729050877344
Energy: 1.105414436481166
Energy: 1.0961695391809776
Energy: 1.0535986743892918
Energy: 1.0961695391809776
Energy: 1.0535986743911223
Energy: 1.0961695391809776
Energy: 1.0535986743902068
Energy: 1.0961695391809776
Energy: 1.0035943684881061
Energy: 1.0717075126400082
Energy: 1.0035943340353188
Energy: 1.071707512639093
Energy: 1.0035946482587959
Energy: 1.0717075126400082
Energy: 1.0035942995953253
Energy: 0.9859636707984644
Energy: 1.0244217588572266
Energy: 0.9859636707993799
Energy: 1.0244217588572266
Energy: 0.9859636707993799
Energy: 1.0244217588572266
Energy: 0.9859636707993799
Energy: 1.0420307822197319
Energy: 1.025186681285406
Energy: 1.0420307822197319
Energy: 1.0251866800072353
Energy: 1.0420307822197319
Energy: 1.0251866797794194
Energy: 1.0420307822197319
Energy: 0.9705580362536411
Energy: 1.031828901338964
Energy: 0.9705580362545563
Energy: 1.031828901338964
Energy: 0.9705580362545563
Energy: 1.0318289013398796
Energy: 0.9705580362545563
Energy: 0.9666394113254899
Energy: 1.0716395270122219
Energy: 0.9666394113245745
Energy: 1.0716395270131371
Energy: 0.9666394113254899
Energy: 1.0716395270122219
Energy: 0.9666394113245745
Energy: 1.0413990678957417
Energy: 1.024219266471134
Energy: 1.0413990678957417
Energy: 1.024219266471134
Energy: 1.0413990678957417
Energy: 1.0242192664702185
Energy: 1.0413990678957417
Energy: 1.0422023825234048
Energy: 1.009960431341272
Energy: 1.0422023825234048
Energy: 1.009960431341272
Energy: 1.0422023825234048
Energy: 1.009960431341272
Energy: 1.0422023825234048

minimum gb energy = 0.9666394113245745 eV
minimum distance =  2.32852458289901 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.9928088059373764
Energy: 1.207076923314546
Energy: 0.9928088059368658
Energy: 1.2070769233150567
Energy: 0.9928088059373764
Energy: 1.207076923314546
Energy: 0.992808805936355
Energy: 1.0057080283412398
Energy: 0.9582444062231883
Energy: 1.0057080283417505
Energy: 0.9582444062216557
Energy: 1.0057080283417505
Energy: 0.9582444062226775
Energy: 1.0057080283412398
Energy: 0.9995566854896628
Energy: 0.9761484726484534
Energy: 0.9995566854881301
Energy: 0.97614847264641
Energy: 0.9995566854901736
Energy: 0.9761484726453883
Energy: 0.9995566854901736
Energy: 0.9545908691351241
Energy: 0.9452351141589385
Energy: 0.9545908691351241
Energy: 0.9452351141609819
Energy: 0.954590869135635
Energy: 0.9452351141589385
Energy: 0.954590869136146
Energy: 0.9254376556152338
Energy: 1.0684427701924013
Energy: 0.9254376556147229
Energy: 1.0684427701939339
Energy: 0.9254376556152338
Energy: 1.068442770193423
Energy: 0.9254376556147229
Energy: 0.9422015543801421
Energy: 0.958259193825258
Energy: 0.9422015543791203
Energy: 0.9582591938267905
Energy: 0.942201554380653
Energy: 0.9582591938257689
Energy: 0.9422015543791203
Energy: 0.9313054289909094
Energy: 0.9328678655103614
Energy: 0.9313054289883551
Energy: 0.9328678655088289
Energy: 0.9313054289914202
Energy: 0.9328678654751127
Energy: 0.931305428988866
Energy: 0.9456774412731445
Energy: 0.9144460285053085
Energy: 0.945677441274677
Energy: 0.9144460285093955
Energy: 0.9456774412736553
Energy: 0.9144460285053085
Energy: 0.945677441274677
Energy: 0.936257611146613
Energy: 1.0178033541407634
Energy: 0.936257611143037
Energy: 1.0178033541397413
Energy: 0.9362576111455913
Energy: 1.0178033541397413
Energy: 0.9362576111420152
Energy: 0.9558330559967034
Energy: 0.9204749431089927
Energy: 0.9558330559972142
Energy: 0.9204749431125684
Energy: 0.9558330559961925
Energy: 0.920474943110525
Energy: 0.9558330559967034
Energy: 0.8918922652050333
Energy: 0.9040805601852452
Energy: 0.8918922652091201
Energy: 0.9040805601852452
Energy: 0.8918922652065658
Energy: 0.9040805601832019
Energy: 0.8918922652075875
Energy: 0.9306425561909732
Energy: 0.9238215380073239
Energy: 0.9306425561914841
Energy: 0.9238215380047696
Energy: 0.9306425561904624
Energy: 0.9238215380083457
Energy: 0.9306425561904624
Energy: 0.8615699452857984
Energy: 1.0906587728021384
Energy: 0.8615699452842659
Energy: 1.09065877280316
Energy: 0.8615699452929503
Energy: 1.0906587728016275
Energy: 0.8615699452893743
Energy: 0.9177287090080815
Energy: 0.9212165367795628
Energy: 0.9177287090070598
Energy: 0.9212165367790519
Energy: 0.9177287090085923
Energy: 0.9212165367810954
Energy: 0.9177287090075704
Energy: 0.9221902265359974
Energy: 0.8880854132238297
Energy: 0.9221902265380408
Energy: 0.88808541483436
Energy: 0.922190226537019
Energy: 0.8880854179833438
Energy: 0.9221902265375299
Energy: 0.9168972574458825
Energy: 1.0895765001475504
Energy: 0.9168972574453716
Energy: 1.0895765001475504
Energy: 0.9168972574463933
Energy: 1.0895765001470397
Energy: 0.9168972574433747
Energy: 0.8611199356883036
Energy: 0.9118393402865351
Energy: 0.8611199356862602
Energy: 0.9118393402860243
Energy: 0.8611199356872818
Energy: 0.911839340287557
Energy: 0.8611199356862602
Energy: 0.9202865897247289
Energy: 0.9238293238544385
Energy: 0.9202865897237072
Energy: 0.923829323855971
Energy: 0.9202865897242181
Energy: 0.9238293238539276
Energy: 0.9202865897247289
Energy: 0.9242213809877239
Energy: 0.8879092206784792
Energy: 0.9242213809872595
Energy: 0.8879092206897181
Energy: 0.9242213809887456
Energy: 0.8879092206667296
Energy: 0.9242213809877239
Energy: 0.9224527524639771
Energy: 1.0008759494152657
Energy: 0.9224527524644877
Energy: 1.000875949414244
Energy: 0.9224527524644877
Energy: 1.0008759494152657
Energy: 0.9224527524649985
Energy: 0.9249261656972891
Energy: 0.9011726471056436
Energy: 0.9249261656972891
Energy: 0.9011726471081979
Energy: 0.9249261656978
Energy: 0.9011726471051328
Energy: 0.9249261656978
Energy: 0.9359075086725309
Energy: 0.884348988777309
Energy: 0.9359075086730417
Energy: 0.8843487822856246
Energy: 0.9359075086730417
Energy: 0.8843489418799423
Energy: 0.9359075086720201
Energy: 0.925307901919151
Energy: 0.9004883673329507
Energy: 0.925307901919662
Energy: 0.9004883673303965
Energy: 0.9253079019186402
Energy: 0.9004883673309072
Energy: 0.9253079019201728
Energy: 0.9141042887086375
Energy: 0.9529673634304682
Energy: 0.9141042886606637
Energy: 0.9529673634840611
Energy: 0.9141042885804601
Energy: 0.9529673633855131
Energy: 0.9141042885891446
Energy: 1.0194575648302855
Energy: 0.9389160047965768
Energy: 1.0194575648292639
Energy: 0.9389160047996419
Energy: 1.0194575648313071
Energy: 0.9389160047950441
Energy: 1.0194575648297748
Energy: 0.9897230123699275
Energy: 0.9423158768020439
Energy: 0.9897230123694166
Energy: 0.9423158768025548
Energy: 0.9897230123683949
Energy: 0.9423158768025548
Energy: 0.9897230123683949
Energy: 0.9930828744031077
Energy: 0.9373437816609809
Energy: 0.993082874402086
Energy: 0.9373437817237692
Energy: 0.9930828744036185
Energy: 0.9373437818841305
Energy: 0.9930828744041295
Energy: 0.9763162121852355
Energy: 1.156706889238709
Energy: 0.9763162121780835
Energy: 1.1567068892366656
Energy: 0.9763162121775727
Energy: 1.1567068892371766
Energy: 0.9763162123134128
Energy: 1.078887383340635
Energy: 0.953589432789689
Energy: 1.0788873833396129
Energy: 0.9535894327886673
Energy: 1.0788873833396129
Energy: 0.9535894327871347
Energy: 1.078887383340124
Energy: 0.9863728166868331
Energy: 0.9424697323461112
Energy: 0.9863728166832569
Energy: 0.9424697323420244
Energy: 0.9863728166847896
Energy: 0.9424697323476439
Energy: 0.9863728166842788
Energy: 0.9283637022794614
Energy: 0.9488147799567938
Energy: 0.9283637022769071
Energy: 0.9488147799537286
Energy: 0.9283637022789506
Energy: 0.9488147799552612
Energy: 0.9283637022774179
Energy: 0.9140777700727728
Energy: 1.127310488722011
Energy: 0.9140777700712404
Energy: 1.1273104887215
Energy: 0.9140777700681753
Energy: 1.127310488722011
Energy: 0.9140777700661318
Energy: 0.9123387356974582
Energy: 0.9579173265068526
Energy: 0.9123387357040993
Energy: 0.9579173265094069
Energy: 0.9123387357051209
Energy: 0.9579173265078744
Energy: 0.9123387356995017
Energy: 0.9163105802765575
Energy: 0.8835852398619691
Energy: 0.9163105802775793
Energy: 0.8835852398701428
Energy: 0.9163105802760467
Energy: 0.8835852398834249
Energy: 0.9163105802760467
Energy: 0.9437897654886557
Energy: 0.914596513258318
Energy: 0.9437897654881449
Energy: 0.914596513258829
Energy: 0.9437897654896773
Energy: 0.9145965132603615
Energy: 0.9437897654871231
Energy: 0.900782249057156
Energy: 1.0822176860132835
Energy: 0.9007822490551125
Energy: 1.0822176860127726
Energy: 0.9007822490551125
Energy: 1.0822176860127726
Energy: 0.9007822490540909
Energy: 0.9254231533143448
Energy: 0.9198642851966992
Energy: 0.9254231532990193
Energy: 0.9198642851956774
Energy: 0.9254231533138338
Energy: 0.9198642851966992
Energy: 0.9254231533020842
Energy: 0.907697925050251
Energy: 0.8935577911346462
Energy: 0.907697925050762
Energy: 0.8935577911316274
Energy: 0.9076979250497401
Energy: 0.8935577911366895
Energy: 0.907697925050762
Energy: 0.9280324892700428
Energy: 0.9000592519302479
Energy: 0.9280324892690212
Energy: 0.9000592519287153
Energy: 0.9280324892700428
Energy: 0.9000592519307588
Energy: 0.9280324892690212
Energy: 0.8755907872955375
Energy: 1.0659400223479965
Energy: 0.8755907872975808
Energy: 1.065940022349018
Energy: 0.8755907872955375
Energy: 1.0659400223474857
Energy: 0.8755907872975808
Energy: 0.9175538303868573
Energy: 0.9198773353462223
Energy: 0.9175538303878789
Energy: 0.9198773353457115
Energy: 0.917553830387368
Energy: 0.9198773353457115
Energy: 0.9175538303868573
Energy: 0.9212034468904512
Energy: 0.8910879303326631
Energy: 0.9212034468914729
Energy: 0.8910879303331739
Energy: 0.9212034468909621
Energy: 0.8910879303321521
Energy: 0.9212034468909621
Energy: 0.9184715873436415
Energy: 1.086388987618809
Energy: 0.9184715873431307
Energy: 1.0863889876177875
Energy: 0.9184715873431307
Energy: 1.0863889876182982
Energy: 0.9184715873426198
Energy: 0.8754132304523471
Energy: 0.9004101085745924
Energy: 0.8754132304554121
Energy: 0.9004101085751033
Energy: 0.875413230452858
Energy: 0.9004101085740815
Energy: 0.8754132304549013
Energy: 0.917596867746025
Energy: 0.9288836952432227
Energy: 0.9175968677480685
Energy: 0.9288836952452659
Energy: 0.917596867746025
Energy: 0.9288836952437335
Energy: 0.9175968677475574

minimum gb energy = 0.8611199356862602 eV
minimum distance =  2.30833310798389 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510893187079
Energy: 1.0754567493099751
Energy: 1.9347510892162518
Energy: 1.0754567493088234
Energy: 1.9347510892162518
Energy: 1.0754567493099751
Energy: 1.9347510894511102
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.3250754262178525
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510892058857
Energy: 1.0754567493088234
Energy: 1.9347510893463242
Energy: 1.0754567493088234
Energy: 1.9347510899588092
Energy: 1.0754567493088234
Energy: 1.9347510891978235
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.33804350589243626
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510893037345
Energy: 1.0754567493088234
Energy: 1.934751090240864
Energy: 1.0754567493088234
Energy: 1.934751089194368
Energy: 1.0754567493088234
Energy: 1.9347510897757547
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.934751089224288
Energy: 1.0754567493088234
Energy: 1.934751089200127
Energy: 1.0754567493088234
Energy: 1.9347510898241032
Energy: 1.0754567493088234
Energy: 1.9347510898505942
Energy: 0.32507542621900426
Energy: 0.33804350589243626
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.33804350589243626
Energy: 0.32507542621900426
Energy: 1.9347510896042182
Energy: 1.0754567493088234
Energy: 1.934751089476423
Energy: 1.0754567493088234
Energy: 1.9347510895270752
Energy: 1.0754567493088234
Energy: 1.9347510892311985
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.3250754262178525
Energy: 0.33804350589243626
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510892139483
Energy: 1.0754567493088234
Energy: 1.9347510893094932
Energy: 1.0754567493099751
Energy: 1.9347510894983067
Energy: 1.0754567493088234
Energy: 1.934751089805701
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510892104929
Energy: 1.0754567493099751
Energy: 1.934751089219707
Energy: 1.0754567493088234
Energy: 1.9347510892933684
Energy: 1.0754567493099751
Energy: 1.934751089209341
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510892254398
Energy: 1.0754567493088234
Energy: 1.9347510895040658
Energy: 1.0754567493088234
Energy: 1.9347510894303779
Energy: 1.0754567493088234
Energy: 1.9347510895846378
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.33804350589243626
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510892231625
Energy: 1.0754567493088234
Energy: 1.9347510892150999
Energy: 1.0754567493099751
Energy: 1.9347510895915485
Energy: 1.0754567493088234
Energy: 1.9347510892899131
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 0.338043505893588
Energy: 0.32507542621900426
Energy: 1.9347510891966715
Energy: 1.0754567493088234
Energy: 1.9347510895927
Energy: 1.0754567493088234
Energy: 1.93475108924502
Energy: 1.0754567493088234
Energy: 1.9347510892162518

minimum gb energy = 0.3250754262178525 eV
minimum distance =  2.31478475109155 Angstroms
sigma value = 23