Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
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=2.855324655771256
cohesive_energy=4.122759316663293
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: 0.015643617537498312
Energy: 0.5026690349524907
Energy: 0.015643617537885946
Energy: 0.5026690349524907
Energy: 0.015643617537885946
Energy: 0.5026690349524907
Energy: 0.015643617537885946
Energy: 0.01647275455237549
Energy: 0.5596076834514682
Energy: 0.01647275455237549
Energy: 0.5596076834522661
Energy: 0.01647275455196505
Energy: 0.5596076834522661
Energy: 0.01647275455237549
Energy: 1.0868396562827787
Energy: 0.5478988699643437
Energy: 0.01591900066464811
Energy: 0.5478988696169537
Energy: 0.015913597903964113
Energy: 0.5478988696739133
Energy: 0.015928206095795996
Energy: 0.01647275455237549
Energy: 0.5596076834518785
Energy: 0.01647275455237549
Energy: 0.5596076834518785
Energy: 0.01647275455237549
Energy: 0.5596076834518785
Energy: 0.01647275455237549
Energy: 0.015643617537498312
Energy: 0.5026690349528784
Energy: 0.015643617537885946
Energy: 0.502669034955683
Energy: 0.015643617537885946
Energy: 0.5026690349524907
Energy: 0.015643617537885946
Energy: 0.01647275455196505
Energy: 0.5596076834518785
Energy: 0.01647275455196505
Energy: 0.5596076834522661
Energy: 0.01647275455196505
Energy: 0.5596076834522661
Energy: 0.01647275455237549

minimum gb energy = 0.015643617537498312 eV
minimum distance =  2.46848324151565 Angstroms
sigma value = 5


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

Energy: 1.2708902937696602
Energy: 1.6735499240754845
Energy: 1.2708902937667186
Energy: 1.673549924075975
Energy: 1.2708902937681894
Energy: 1.673549924075975
Energy: 1.2708902937672089
Energy: 1.2422170458854815
Energy: 1.2035684505097646
Energy: 1.2422170458840107
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Energy: 1.2035684505097646
Energy: 1.2422170458869524
Energy: 1.167214802199442
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Energy: 1.2366016072216675
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Energy: 1.1413349935525585
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Energy: 1.2504812315587306
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Energy: 1.2469422585676189
Energy: 1.2954336217672406
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Energy: 1.2954336217672406
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Energy: 1.295433621768221
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Energy: 1.2016421899160665
Energy: 1.2991097973356425
Energy: 1.2016421899219498
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Energy: 1.2480348709971048
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Energy: 1.1658042124217265
Energy: 1.1577218150989201
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Energy: 1.1577218150979394
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Energy: 1.2963871569920682
Energy: 1.1842263196688436
Energy: 1.2963871569920682
Energy: 1.1842263196688436
Energy: 1.2963871569910874
Energy: 1.19722958558431
Energy: 1.2121321740076925
Energy: 1.1972295855848003
Energy: 1.2121321740057314
Energy: 1.1972295855848003
Energy: 1.2121321740062216
Energy: 1.19722958558382
Energy: 1.2429176462079161
Energy: 1.2927457948883005
Energy: 1.242917646207426
Energy: 1.2927457948878105
Energy: 1.2429176462079161
Energy: 1.2927457948883005
Energy: 1.242917646207426
Energy: 1.1743283315832878
Energy: 1.2604267847963395
Energy: 1.174328331582307
Energy: 1.2604267847968296
Energy: 1.1743283315832878
Energy: 1.2604267847963395
Energy: 1.174328331582307
Energy: 1.1598500101310374
Energy: 1.2560468260548847
Energy: 1.159850010130057
Energy: 1.2560468260558653
Energy: 1.1598500101320182
Energy: 1.256046826055375
Energy: 1.1598500101290763
Energy: 1.163783838315562
Energy: 1.226855896983002
Energy: 1.1637838383160524
Energy: 1.226855896981531
Energy: 1.1637838383145813
Energy: 1.2268558969820214
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Energy: 1.1900755588473528
Energy: 1.2387091172101705
Energy: 1.1900755588468626
Energy: 1.2387091172096802
Energy: 1.1900755588463723
Energy: 1.2387091172096802
Energy: 1.1900755588468626

minimum gb energy = 1.1413349935510877 eV
minimum distance =  2.26354371928652 Angstroms
sigma value = 401


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

Energy: 1.4260597439595402
Energy: 1.3458258038075877
Energy: 1.4260597439595402
Energy: 1.3458258038075877
Energy: 1.4260597439595402
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Energy: 1.2881266686523354
Energy: 1.2686043355288341
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Energy: 1.2881266686523354
Energy: 1.265344294889264
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Energy: 1.2653442948887073
Energy: 1.3239846109224305
Energy: 1.3139049791640585
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Energy: 1.313904979163502
Energy: 1.323984610922987
Energy: 1.3139049791640585
Energy: 1.3239846109218742
Energy: 1.2838530380483357
Energy: 1.311110377523023
Energy: 1.2838530379565087
Energy: 1.311110377523023
Energy: 1.28385303768118
Energy: 1.311110377523023
Energy: 1.2838530375804993
Energy: 1.2187342233177618
Energy: 1.2677395571240888
Energy: 1.2187342233183183
Energy: 1.2677395571246453
Energy: 1.2187342233183183
Energy: 1.267739557125202
Energy: 1.2187342233177618
Energy: 1.2321383230284921
Energy: 1.2696600267715958
Energy: 1.2321383230284921
Energy: 1.2696600267721523
Energy: 1.232138323027379
Energy: 1.269660026772709
Energy: 1.232138323027379
Energy: 1.1924052494411435
Energy: 1.2279775103097614
Energy: 1.1924052494405866
Energy: 1.2279775103092052
Energy: 1.1924052494405866
Energy: 1.2279775103092052
Energy: 1.1924052494417
Energy: 1.254187279323602
Energy: 1.2166998908394187
Energy: 1.2541872793230457
Energy: 1.2166998908388622
Energy: 1.254187279323602
Energy: 1.2166998908388622
Energy: 1.2541872793230457
Energy: 1.3532296764099985
Energy: 1.3717996902121157
Energy: 1.3532296764099985
Energy: 1.3717996902126723
Energy: 1.3532296764088854
Energy: 1.3717996902121157
Energy: 1.3532296764111116
Energy: 1.2553192532679385
Energy: 1.2388413983535247
Energy: 1.2553192532690514
Energy: 1.2388413983540814
Energy: 1.2553192532690514
Energy: 1.238841398349629
Energy: 1.2553192532679385

minimum gb energy = 1.176186589967895 eV
minimum distance =  2.25443173937666 Angstroms
sigma value = 311


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

Energy: 1.3171368738392433
Energy: 1.4298921560189297
Energy: 1.260914130582353
Energy: 1.3298090706210952
Energy: 1.3171368738392433
Energy: 1.4298921560189297
Energy: 1.260914130582353
Energy: 1.220675916922511
Energy: 1.227714409979737
Energy: 1.2000504452072467
Energy: 1.234487694720248
Energy: 1.2206759169237964
Energy: 1.227714409979737
Energy: 1.2000504452078895
Energy: 1.2288717116696135
Energy: 1.2846238307619327
Energy: 1.2288163451395313
Energy: 1.2848244495478658
Energy: 1.2288717116696135
Energy: 1.28462383076129
Energy: 1.2288163451388887
Energy: 1.2808165852617943
Energy: 1.301843201777982
Energy: 1.2850899837272514
Energy: 1.301843201777982
Energy: 1.2808165852617943
Energy: 1.301843201777982
Energy: 1.2850899837272514
Energy: 1.2982510519867314
Energy: 1.352047709890976
Energy: 1.2982661183417523
Energy: 1.3520477098916184
Energy: 1.2982510519880164
Energy: 1.3520477098922612
Energy: 1.2982661183411097
Energy: 1.2274526943975235
Energy: 1.3821305119383733
Energy: 1.2274526943975235
Energy: 1.3820651563219424
Energy: 1.22745269439691
Energy: 1.3821305119383733
Energy: 1.2274526943975235
Energy: 1.2377020762072126
Energy: 1.3728673355098513
Energy: 1.2377020762072126
Energy: 1.3717337935227643
Energy: 1.2377020762072126
Energy: 1.3728673355098513
Energy: 1.2377020762084978
Energy: 1.373897940122259
Energy: 1.3178281516547465
Energy: 1.373897940122259
Energy: 1.3178281516547465
Energy: 1.373897940122259
Energy: 1.3178281516547465
Energy: 1.3738979401216163
Energy: 1.3476592047392966
Energy: 1.3127997836718428
Energy: 1.3476592047392966
Energy: 1.3127997836712
Energy: 1.3476592047392966
Energy: 1.3127997836712
Energy: 1.3476592047392966
Energy: 1.2070923449796767
Energy: 1.3470869666047094
Energy: 1.2070928320856904
Energy: 1.3470512615524388
Energy: 1.2070923449796767
Energy: 1.347086966604067
Energy: 1.2070928320856904
Energy: 1.2215998385682
Energy: 1.3469117525991816
Energy: 1.2216009161745214
Energy: 1.3469895335386222
Energy: 1.2215998385688427
Energy: 1.3469117525985392
Energy: 1.2216009161738786
Energy: 1.3361493967776044
Energy: 1.3121819555699175
Energy: 1.3361493967776044
Energy: 1.3121819555699175
Energy: 1.3361493967769618
Energy: 1.3121819555699175
Energy: 1.3361493967763192
Energy: 1.2889807379599876
Energy: 1.3083589352984302
Energy: 1.2889807379599876
Energy: 1.308358935297145
Energy: 1.2889807379599876
Energy: 1.3083589352977878
Energy: 1.2889807379606304
Energy: 1.218278769516852
Energy: 1.2643735873665878
Energy: 1.218278769516852
Energy: 1.2643735873659452
Energy: 1.218278769516852
Energy: 1.2643735873659452
Energy: 1.218278769516852
Energy: 1.356798260456675
Energy: 1.2297873692212848
Energy: 1.276883956158712
Energy: 1.2296491020535674
Energy: 1.356798260461816
Energy: 1.229787369220642
Energy: 1.276883956158712
Energy: 1.2782253951824774
Energy: 1.3053070892251388
Energy: 1.2128679739961175
Energy: 1.305307089224496
Energy: 1.2782253951824774
Energy: 1.305307089224496
Energy: 1.2128679739961175
Energy: 1.2324361833345314
Energy: 1.2447235741618194
Energy: 1.2521191448208568
Energy: 1.246487983357289
Energy: 1.2324361833345314
Energy: 1.2447235741618194
Energy: 1.2521191448202142
Energy: 1.2640496749771823
Energy: 1.2567323972769833
Energy: 1.264096600804443
Energy: 1.2515018209508957
Energy: 1.2640496749771823
Energy: 1.2567323972756979
Energy: 1.264096600804443
Energy: 1.329480683057619
Energy: 1.4071231173176313
Energy: 1.335293626259672
Energy: 1.351108764146339
Energy: 1.3352936262609572
Energy: 1.4071231173176313
Energy: 1.3352936262615998
Energy: 1.2607379845530158
Energy: 1.3559669394571516
Energy: 1.2607379845530158
Energy: 1.3386013521328657
Energy: 1.2607379845530158
Energy: 1.3559669394565093
Energy: 1.2607379845523734
Energy: 1.2421559947084966
Energy: 1.2402894193747245
Energy: 1.2421559947084966
Energy: 1.240289419375367
Energy: 1.2421559947084966
Energy: 1.2402894193747245
Energy: 1.2421559947084966
Energy: 1.2584024979657489
Energy: 1.2940071418828618
Energy: 1.2584024979657489
Energy: 1.2940071418828618
Energy: 1.2584024979657489
Energy: 1.2940071418815766
Energy: 1.2584024979657489
Energy: 1.3335205510776211
Energy: 1.356842010707475
Energy: 1.280797559292156
Energy: 1.3277942471119146
Energy: 1.333520551076336
Energy: 1.356842010707475
Energy: 1.351637889603481
Energy: 1.378224409705504
Energy: 1.4428900725867777
Energy: 1.310892150661908
Energy: 1.3843893591036533
Energy: 1.378224409705504
Energy: 1.4428900725861353
Energy: 1.3108921506612654
Energy: 1.2271942749406115
Energy: 1.3386807034232362
Energy: 1.2277992240122468
Energy: 1.338814108118867
Energy: 1.2271942749406115
Energy: 1.3386807034225936
Energy: 1.2277992240122468
Energy: 1.3679930502959052
Energy: 1.3363249876177508
Energy: 1.3678868923310865
Energy: 1.335261848166711
Energy: 1.367993050296548
Energy: 1.3363249876177508
Energy: 1.3678868923317293
Energy: 1.2763930827922345
Energy: 1.3155093552394221
Energy: 1.276234444211045
Energy: 1.3155093552400647
Energy: 1.2763930827909493
Energy: 1.3155093552394221
Energy: 1.276234444211045
Energy: 1.3057069138534936
Energy: 1.381797087771284
Energy: 1.3057069138534936
Energy: 1.399401586279345
Energy: 1.3057069138534936
Energy: 1.3817970877725694
Energy: 1.3057069138534936
Energy: 1.2422940292740763
Energy: 1.2419090782891877
Energy: 1.2422940292740763
Energy: 1.241909078288545
Energy: 1.2422940292740763
Energy: 1.2419090782891877
Energy: 1.2422940292740763
Energy: 1.3445761824489204
Energy: 1.2720617361231057
Energy: 1.344576182449563
Energy: 1.2720617361218205
Energy: 1.344576182449563
Energy: 1.2720617361237485
Energy: 1.344576182449563
Energy: 1.3511188835556263
Energy: 1.3055943700325858
Energy: 1.3511188835556263
Energy: 1.3055943700319432
Energy: 1.3511188835556263
Energy: 1.3055943700319432
Energy: 1.3621691087173098
Energy: 1.2163714388522402
Energy: 1.336937506532323
Energy: 1.2164481988105074
Energy: 1.3366413072523964
Energy: 1.2163714388522402
Energy: 1.336937506532323
Energy: 1.2164481988111502
Energy: 1.2225470634122129
Energy: 1.2722048115367257
Energy: 1.222422377109092
Energy: 1.272485988962031
Energy: 1.2225470634128555
Energy: 1.2722048115367257
Energy: 1.2224223771097347
Energy: 1.3131609138499554
Energy: 1.352639436662057
Energy: 1.3131609138493125
Energy: 1.352639436662057
Energy: 1.313160913850598
Energy: 1.3526394366626997
Energy: 1.3131609138499554
Energy: 1.3475630649539379
Energy: 1.3796244191219664
Energy: 1.3372755506360683
Energy: 1.3719966950117162
Energy: 1.3475630649558656
Energy: 1.379624419122609
Energy: 1.3372755506354255
Energy: 1.2136917610088214
Energy: 1.2670544414633134
Energy: 1.2136917610088214
Energy: 1.2670544414633134
Energy: 1.2136917610088214
Energy: 1.267054441462671
Energy: 1.2136917610081788

minimum gb energy = 1.2000504452072467 eV
minimum distance =  2.2234350993794 Angstroms
sigma value = 39


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

Energy: 1.194119423720323
Energy: 1.2762656296424744
Energy: 1.194119423720323
Energy: 1.2762656296424744
Energy: 1.1941194237195647
Energy: 1.2762656296417156
Energy: 1.194119423720323
Energy: 1.2364441827817527
Energy: 1.123360301381406
Energy: 1.2364441827832697
Energy: 1.123360301381406
Energy: 1.2364441827825112
Energy: 1.123360301381406
Energy: 1.2364441827832697
Energy: 1.2157685402525835
Energy: 1.1407750450154381
Energy: 1.2157685402525835
Energy: 1.1407750450146799
Energy: 1.2157685402525835
Energy: 1.1407750450154381
Energy: 1.2157685402525835
Energy: 1.2830914240663345
Energy: 1.1313822535990545
Energy: 1.2830914240686098
Energy: 1.131382253599813
Energy: 1.2830914240670932
Energy: 1.131382253599813
Energy: 1.2830914240663345
Energy: 1.244008642584533
Energy: 1.123075612504863
Energy: 1.244008642584533
Energy: 1.123075612504863
Energy: 1.244008642584533
Energy: 1.123075612504863
Energy: 1.2440086425852914
Energy: 1.2674861928595977
Energy: 1.1674227130572083
Energy: 1.2674861928595977
Energy: 1.1674227130572083
Energy: 1.2674861928595977
Energy: 1.1674227130572083
Energy: 1.2674861928595977
Energy: 1.2999096355375077
Energy: 1.206395238658443
Energy: 1.276746114692167
Energy: 1.206395238658443
Energy: 1.2370343850595353
Energy: 1.206395238658443
Energy: 1.2370343850565018
Energy: 1.2485539846581186
Energy: 1.199506645457198
Energy: 1.2485539846603937
Energy: 1.199506645457198
Energy: 1.248553984658877
Energy: 1.1995066454556813
Energy: 1.2485539846603937
Energy: 1.3218925377797415
Energy: 1.1885902828984585
Energy: 1.3218925377797415
Energy: 1.188590282899217
Energy: 1.321892537778983
Energy: 1.1885902828977
Energy: 1.3218925377797415
Energy: 1.1935307684442795
Energy: 1.2764691999877753
Energy: 1.193530768445038
Energy: 1.2764691999885338
Energy: 1.1935307684442795
Energy: 1.2764691999877753
Energy: 1.193530768443521
Energy: 1.1945917147604352
Energy: 1.2462051323402021
Energy: 1.317883248404213
Energy: 1.246205132341719
Energy: 1.2366902163797409
Energy: 1.2462051323409604
Energy: 1.2366902163797409
Energy: 1.2303296937347181
Energy: 1.1382929157659027
Energy: 1.2303296937347181
Energy: 1.1382929157659027
Energy: 1.2303296937339596
Energy: 1.1382929157651442
Energy: 1.2303296937339596
Energy: 1.3410074645311878
Energy: 1.1306849096444693
Energy: 1.3410074645319463
Energy: 1.1306849096444693
Energy: 1.3410074645311878
Energy: 1.1306849096444693
Energy: 1.3410074645311878
Energy: 1.2061038782819886
Energy: 1.1384707014890862
Energy: 1.2061038782819886
Energy: 1.1384707014883277
Energy: 1.2061038782819886
Energy: 1.1384707014890862
Energy: 1.206103878282747
Energy: 1.2351083476651963
Energy: 1.272896844744827
Energy: 1.3629711140915435
Energy: 1.2728968447455853
Energy: 1.3096823838840532
Energy: 1.272896844744827
Energy: 1.2632884808677058
Energy: 1.2012931309050274
Energy: 1.1814141178032775
Energy: 1.2012931309050274
Energy: 1.181414117804036
Energy: 1.2012931309065442
Energy: 1.1814141178032775
Energy: 1.2012931309042691
Energy: 1.3393667862563967
Energy: 1.1873450532468013
Energy: 1.3393667862563967
Energy: 1.1873450532460428
Energy: 1.3393667862556387
Energy: 1.1873450532468013
Energy: 1.3393667862548801
Energy: 1.2629129677259245
Energy: 1.1973203048442371
Energy: 1.2629129677259245
Energy: 1.1973203048442371
Energy: 1.2629129677259245
Energy: 1.1973203048449956
Energy: 1.2629129677259245
Energy: 1.2369807349342203
Energy: 1.1988417308800714
Energy: 1.2369807349349786
Energy: 1.1988417308793131
Energy: 1.2369807349342203
Energy: 1.1988417308800714
Energy: 1.2369807349342203
Energy: 1.1935303596376579
Energy: 1.2763900501848178
Energy: 1.1935303596384161
Energy: 1.2763900501848178
Energy: 1.1935303596384161
Energy: 1.2763900501855763
Energy: 1.1935303596376579
Energy: 1.2860113510830045
Energy: 1.1230351745158906
Energy: 1.2860113510830045
Energy: 1.1230351745158906
Energy: 1.2860113510830045
Energy: 1.1230351745158906
Energy: 1.2860113510830045
Energy: 1.227182048031075
Energy: 1.1383101295820495
Energy: 1.227182048031075
Energy: 1.1383101295828078
Energy: 1.2271820480303166
Energy: 1.1383101295835663
Energy: 1.227182048031075
Energy: 1.2828574201452732
Energy: 1.1479655300794414
Energy: 1.2828574201452732
Energy: 1.1479655300801999
Energy: 1.2828574201429979
Energy: 1.1479655300794414
Energy: 1.2828574201437564
Energy: 1.2380110549072099
Energy: 1.1232097102111553
Energy: 1.2380110549072099
Energy: 1.123209710211914
Energy: 1.2380110549072099
Energy: 1.123209710211914
Energy: 1.2380110549072099
Energy: 1.2639226278474132
Energy: 1.1676179913740425
Energy: 1.2639226278474132
Energy: 1.1676179913740425
Energy: 1.2639226278595135
Energy: 1.1676179913740425
Energy: 1.2639226278489302
Energy: 1.236913606218349
Energy: 1.2053970111079684
Energy: 1.2369136062198656
Energy: 1.2053970111087267
Energy: 1.2369136062191075
Energy: 1.2053970111079684
Energy: 1.2369136062191075
Energy: 1.2432993675498563
Energy: 1.2084889723649705
Energy: 1.2432993675513733
Energy: 1.2084889723649705
Energy: 1.2432993675521316
Energy: 1.2084889723649705
Energy: 1.2432993675521316
Energy: 1.2364196664831884
Energy: 1.18568264772842
Energy: 1.23641966648243
Energy: 1.1856826477299365
Energy: 1.23641966648243
Energy: 1.1856826477291782
Energy: 1.23641966648243
Energy: 1.1941194237195647
Energy: 1.2762656296424744
Energy: 1.1941194237195647
Energy: 1.2762656296417156
Energy: 1.1941194237195647
Energy: 1.2762656296417156
Energy: 1.1941194237195647
Energy: 1.2364441827825112
Energy: 1.1233603013806477
Energy: 1.2364441827832697
Energy: 1.123360301381406
Energy: 1.2364441827817527
Energy: 1.1233603013806477
Energy: 1.2364441827817527

minimum gb energy = 1.1230351745158906 eV
minimum distance =  2.23408368035459 Angstroms
sigma value = 21


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

Energy: 1.248012256449389
Energy: 1.2769525374808093
Energy: 1.248012256449389
Energy: 1.2769525374808093
Energy: 1.248012256449389
Energy: 1.2769525374808093
Energy: 1.248012256449389
Energy: 1.1217059762848964
Energy: 1.0925368180757835
Energy: 1.1217059762876376
Energy: 1.0925368180757835
Energy: 1.1217059762848964
Energy: 1.0925368180767039
Energy: 1.1217059762867168
Energy: 1.2611344903395763
Energy: 1.162057464309641
Energy: 1.2611344903395763
Energy: 1.1620574643114823
Energy: 1.2611344903395763
Energy: 1.162057464309641
Energy: 1.2611344903386557
Energy: 1.1236039749713718
Energy: 1.0950477957062836
Energy: 1.1236039749713718
Energy: 1.0950477957062836
Energy: 1.1236039749713718
Energy: 1.0950477957062836
Energy: 1.1236039749713718
Energy: 1.0540435246085986
Energy: 1.1381293933684675
Energy: 1.0540435246085986
Energy: 1.1381293933684675
Energy: 1.0540435246085986
Energy: 1.1381293933693883
Energy: 1.0540435246085986
Energy: 1.0678262699680507
Energy: 1.0987675335649216
Energy: 1.0678262699671301
Energy: 1.0987675335649216
Energy: 1.0678262699671301
Energy: 1.0987675335640008
Energy: 1.0678262699680507
Energy: 1.0706930586643033
Energy: 1.15604176934755
Energy: 1.0706930586643033
Energy: 1.1560417693503122
Energy: 1.0706930586643033
Energy: 1.1560417693484708
Energy: 1.0706930586643033
Energy: 1.067837950651961
Energy: 1.081668953275505
Energy: 1.0678379506528815
Energy: 1.081668953275505
Energy: 1.067837950651961
Energy: 1.081668953275505
Energy: 1.067837950651961
Energy: 1.11534048668742
Energy: 1.081771453090087
Energy: 1.11534048668742
Energy: 1.081771453090087
Energy: 1.11534048668742
Energy: 1.081771453090087
Energy: 1.11534048668742
Energy: 1.071377518128886
Energy: 1.1361019975210818
Energy: 1.071377518128886
Energy: 1.1361019975072921
Energy: 1.071377518128886
Energy: 1.1361019975146367
Energy: 1.0713775181298069
Energy: 1.0603112370254104
Energy: 1.1013885767586526
Energy: 1.0603112370254104
Energy: 1.1013885767604938
Energy: 1.0603112370254104
Energy: 1.1013885767595732
Energy: 1.0603112370254104
Energy: 1.053349758157883
Energy: 1.1293202865241923
Energy: 1.053349758157883
Energy: 1.1293202865241923
Energy: 1.053349758157883
Energy: 1.1293202865241923
Energy: 1.053349758157883
Energy: 1.1068067872890297
Energy: 1.0854486638915244
Energy: 1.1068067872890297
Energy: 1.0854486638906038
Energy: 1.1068067872890297
Energy: 1.0854486638906038
Energy: 1.1068067872890297
Energy: 1.1631147927053769
Energy: 1.1625562941439185
Energy: 1.1631147927053769
Energy: 1.1625562941494423
Energy: 1.1631147927053769
Energy: 1.1625562941485217
Energy: 1.1631147927053769
Energy: 1.1199288163973855
Energy: 1.1005686663058714
Energy: 1.1199288163973855
Energy: 1.1005686663058714
Energy: 1.1199288163973855
Energy: 1.1005686663049719
Energy: 1.1199288163973855
Energy: 1.2388959213076745
Energy: 1.212057872723561
Energy: 1.2388959213094948
Energy: 1.2120578727244817
Energy: 1.2388959213104154
Energy: 1.2120578727254026
Energy: 1.238895921308574
Energy: 1.1453702524320726
Energy: 1.105838281351465
Energy: 1.1453702524329932
Energy: 1.1058382813505443
Energy: 1.1453702524348346
Energy: 1.105838281347782
Energy: 1.1453702524320726
Energy: 1.1631320730501498
Energy: 1.1624362913376685
Energy: 1.1631320730492292
Energy: 1.1624362913404305
Energy: 1.1631320730501498
Energy: 1.162436291341351
Energy: 1.1631320730483086
Energy: 1.1436010786367683
Energy: 1.1006640650680126
Energy: 1.1436010786367683
Energy: 1.100664065067092
Energy: 1.1436010786367683
Energy: 1.100664065067092
Energy: 1.1436010786367683
Energy: 1.0533330998126507
Energy: 1.0932484662118491
Energy: 1.05333309981173
Energy: 1.0932484662118491
Energy: 1.05333309981173
Energy: 1.0932484662109285
Energy: 1.0533330998135717
Energy: 1.1053614809403802
Energy: 1.1705796471985424
Energy: 1.1053614809394596
Energy: 1.170579647199463
Energy: 1.1053614809394596
Energy: 1.170579647199463
Energy: 1.1053614809413008
Energy: 1.0748686392763462
Energy: 1.1566815151850947
Energy: 1.0748686392772668
Energy: 1.1566815151850947
Energy: 1.0748686392763462
Energy: 1.1566815151860153
Energy: 1.0748686392726634
Energy: 1.13839065136822
Energy: 1.1006482802050914
Energy: 1.1383906513691406
Energy: 1.1006482802050914
Energy: 1.13839065136822
Energy: 1.1006482802041706
Energy: 1.13839065136822
Energy: 1.1177493039985085
Energy: 1.0921910012288052
Energy: 1.117749303999429
Energy: 1.0921910012288052
Energy: 1.117749303999429
Energy: 1.0921910012288052
Energy: 1.117749303999429
Energy: 1.1008821154149482
Energy: 1.1559459027314005
Energy: 1.100882115415869
Energy: 1.1559459027305008
Energy: 1.1008821154149482
Energy: 1.1559459027305008
Energy: 1.100882115415869

minimum gb energy = 1.05333309981173 eV
minimum distance =  2.28116252917977 Angstroms
sigma value = 113


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

Energy: 1.0524244322336112
Energy: 1.1025200110345978
Energy: 1.052424432236694
Energy: 1.1025200110330562
Energy: 1.0524244322361802
Energy: 1.1025200110402498
Energy: 1.0524244322351524
Energy: 1.014998909004142
Energy: 0.9570475531359511
Energy: 1.014998909003628
Energy: 0.957047553136979
Energy: 1.014998909003628
Energy: 0.9570475531374927
Energy: 1.0149989090031142
Energy: 1.02851680115184
Energy: 0.9936268158785404
Energy: 1.0285168011513262
Energy: 0.9936268158754573
Energy: 1.0285168011492707
Energy: 0.9936268158744297
Energy: 1.02851680115184
Energy: 0.972023136293016
Energy: 0.9709913488961844
Energy: 0.9720231362919881
Energy: 0.970991348897212
Energy: 0.972023136293016
Energy: 0.9709913488966981
Energy: 0.972023136289933
Energy: 0.9897643559543892
Energy: 1.0278541930758138
Energy: 0.9897643559543892
Energy: 1.0278541930583434
Energy: 0.9897643559543892
Energy: 1.0278541930732443
Energy: 0.9897643559538754
Energy: 0.9650563422612818
Energy: 0.9558451548371387
Energy: 0.9650563422607681
Energy: 0.9558451548381663
Energy: 0.9650563422617957
Energy: 0.9558451548371387
Energy: 0.9650563422617957
Energy: 0.9805135649146991
Energy: 0.9810042054762008
Energy: 0.9805135649152129
Energy: 0.9810042054849359
Energy: 0.9805135649146991
Energy: 0.981004205475687
Energy: 0.9805135649146991
Energy: 0.968046014254123
Energy: 0.9391542706581794
Energy: 0.9680460142530954
Energy: 0.9391542706586932
Energy: 0.9680460142525815
Energy: 0.9391542706581794
Energy: 0.9680460142530954
Energy: 0.9602029356671464
Energy: 0.9720683031639393
Energy: 0.9602029356656049
Energy: 0.9720683031623978
Energy: 0.960202935668688
Energy: 0.9720683031649671
Energy: 0.9602029356692018
Energy: 0.9728023821446039
Energy: 0.9223768126926531
Energy: 0.9728023821435764
Energy: 0.9223768126921393
Energy: 0.9728023821435764
Energy: 0.9223768126931672
Energy: 0.9728023821430624
Energy: 0.9519174102215298
Energy: 0.9390616583516784
Energy: 0.9519174102220435
Energy: 0.9390616583604137
Energy: 0.9519174102210158
Energy: 0.9390616583527063
Energy: 0.9519174102205019
Energy: 0.986891411951557
Energy: 0.9508639984850115
Energy: 0.9868914119525849
Energy: 0.9508639984850115
Energy: 0.986891411951557
Energy: 0.9508639984850115
Energy: 0.986891411951557
Energy: 0.901551324577212
Energy: 0.9879554271945827
Energy: 0.9015513245792673
Energy: 0.9879554271935552
Energy: 0.9015513245782398
Energy: 0.9879554271925274
Energy: 0.9015513245777261
Energy: 0.953741665292758
Energy: 0.9210505236799056
Energy: 0.9537416652917303
Energy: 0.9210505236804193
Energy: 0.9537416652922441
Energy: 0.9210505236793918
Energy: 0.953741665292758
Energy: 0.9409225977846204
Energy: 0.9123898014969823
Energy: 0.9409225977841066
Energy: 0.9123898015016069
Energy: 0.9409225977851343
Energy: 0.9123898015036622
Energy: 0.9409225977846204
Energy: 1.0066596449569518
Energy: 0.9901845578570793
Energy: 1.0066596449615761
Energy: 0.9901845578611899
Energy: 1.0066596449615761
Energy: 0.9901845578611899
Energy: 1.0066596449610623
Energy: 0.9010169317821011
Energy: 0.9205617055829112
Energy: 0.9010169317826151
Energy: 0.9205617055813698
Energy: 0.9010169317856981
Energy: 0.9205617055808557
Energy: 0.9010169317851842
Energy: 0.965098123911636
Energy: 0.9367189619803062
Energy: 0.96509812391215
Energy: 0.9367189619787647
Energy: 0.965098123911636
Energy: 0.9367189619797924
Energy: 0.9650981239111223
Energy: 0.9544147365355203
Energy: 0.9148377184348434
Energy: 0.9544147365360343
Energy: 0.9148377184338158
Energy: 0.9544147365350065
Energy: 0.9148377184348434
Energy: 0.9544147365339789
Energy: 0.9599851698085481
Energy: 0.9980100952870098
Energy: 0.9599851698064927
Energy: 0.9980100952885512
Energy: 0.9599851698064927
Energy: 0.9980100952834128
Energy: 0.9599851698059788
Energy: 0.9554126848726293
Energy: 0.9204286352040403
Energy: 0.9554126848746848
Energy: 0.9204286352040403
Energy: 0.9554126848551591
Energy: 0.9204286352040403
Energy: 0.9554126848618388
Energy: 0.9865004491934186
Energy: 0.9565699409587001
Energy: 0.9865004491934186
Energy: 0.9565699409587001
Energy: 0.9865004491929049
Energy: 0.9565699409592138
Energy: 0.9865004491934186
Energy: 0.9597251212633318
Energy: 0.9744902127566799
Energy: 0.9597251212638455
Energy: 0.974490212756166
Energy: 0.9597251212633318
Energy: 0.9744902127587352
Energy: 0.9597251212638455
Energy: 0.9623410164263869
Energy: 1.0239086511248443
Energy: 0.962341016428956
Energy: 1.023908651116109
Energy: 0.9623410164274144
Energy: 1.0239086511217614
Energy: 0.9623410164269006
Energy: 0.9446086867181432
Energy: 0.96825725309986
Energy: 0.9446086867042698
Energy: 0.9682572531003739
Energy: 0.9446086867356135
Energy: 0.96825725309986
Energy: 0.9446086867422935
Energy: 1.0199088599510764
Energy: 0.964432076510401
Energy: 1.019908859945938
Energy: 0.9644320765026932
Energy: 1.019908859945938
Energy: 0.9644320765032074
Energy: 1.0199088599454242
Energy: 1.018993303455308
Energy: 0.9568330682589428
Energy: 1.018993303454794
Energy: 0.9568330682666502
Energy: 1.0189933034522247
Energy: 0.9568330682584288
Energy: 1.0189933034532528
Energy: 1.0413384908043868
Energy: 1.06925235951323
Energy: 1.0413384908054144
Energy: 1.0692523595101469
Energy: 1.0413384908028454
Energy: 1.0692523595779262
Energy: 1.0413384908043868
Energy: 1.0776241651715392
Energy: 0.9576921576123012
Energy: 1.077624165179247
Energy: 0.9576921576081906
Energy: 1.0776241651648597
Energy: 0.9576921576081906
Energy: 1.0776241651756502
Energy: 1.0095707665841123
Energy: 0.9643202036687968
Energy: 1.0095707665856537
Energy: 0.9643202036682826
Energy: 1.0095707665830846
Energy: 0.9643202036703381
Energy: 1.0095707665841123
Energy: 0.9773123239841748
Energy: 1.1129345412870988
Energy: 0.9773123239964601
Energy: 1.1129345412870988
Energy: 0.97731232398623
Energy: 1.112934541287613
Energy: 0.9773123239990291
Energy: 0.9632804204067688
Energy: 0.9982370145839083
Energy: 0.9632804204077966
Energy: 0.9982370145669518
Energy: 0.9632804204041997
Energy: 0.9982370149768045
Energy: 0.9632804204088241
Energy: 1.0403635286380037
Energy: 0.9550153051838794
Energy: 1.0403635286292685
Energy: 0.9550153051833657
Energy: 1.0403635286308102
Energy: 0.9550153051833657
Energy: 1.040363528627727
Energy: 0.971701892477438
Energy: 0.9626323859503045
Energy: 0.9717018924784655
Energy: 0.9626323859497907
Energy: 0.9717018924779518
Energy: 0.9626323859497907
Energy: 0.9717018924779518
Energy: 0.9702274147358129
Energy: 1.0583820174836307
Energy: 0.9702274147363267
Energy: 1.0583820174841447
Energy: 0.9702274147358129
Energy: 1.0583820174831169
Energy: 0.9702274147363267
Energy: 0.9347574143833747
Energy: 0.9901710150928162
Energy: 0.9347574143833747
Energy: 0.9901710150958992
Energy: 0.9347574143864575
Energy: 0.9901710150948716
Energy: 0.9347574143859438
Energy: 0.9405131831803278
Energy: 0.9211434543359432
Energy: 0.9405131831808416
Energy: 0.9211434543354292
Energy: 0.9405131831772915
Energy: 0.9211434543354292
Energy: 0.940513183179814
Energy: 0.9605382766952428
Energy: 0.918053015696151
Energy: 0.9605382766957566
Energy: 0.9180530156976926
Energy: 0.9605382766926738
Energy: 0.918053015699234
Energy: 0.9605382766942153
Energy: 0.947313260560532
Energy: 0.9693582493945949
Energy: 0.9473132605610458
Energy: 0.9693582493945949
Energy: 0.9473132605625874
Energy: 0.9693582493945949
Energy: 0.947313260560532
Energy: 0.9013731301126733
Energy: 1.0021506641349645
Energy: 0.9013731301121596
Energy: 1.0021506641309004
Energy: 0.9013731301131872
Energy: 1.0021506641303866
Energy: 0.9013731301131872
Energy: 0.9405844062983514
Energy: 0.9199302755373144
Energy: 0.9405844062978373
Energy: 0.9199302755362866
Energy: 0.9405844062983514
Energy: 0.9199302755368006
Energy: 0.9405844062978373
Energy: 0.9454291202532492
Energy: 0.9125284149640955
Energy: 0.9454291202537631
Energy: 0.9125284149635815
Energy: 0.9454291202537631
Energy: 0.9125284149640955
Energy: 0.9454291202537631
Energy: 0.9332987562198014
Energy: 0.9881256821922723
Energy: 0.9332987562208291
Energy: 0.98812568218307
Energy: 0.9332987562192876
Energy: 0.9881256821922723
Energy: 0.9332987562198014
Energy: 0.9021957451930054
Energy: 0.9195864624172403
Energy: 0.9021957451930054
Energy: 0.9195864624177541
Energy: 0.9021957451914638
Energy: 0.9195864624177541
Energy: 0.90219574519095
Energy: 0.9322099913317135
Energy: 0.9342878670383205
Energy: 0.9322099913311997
Energy: 0.9342878670383205
Energy: 0.9322099913317135
Energy: 0.9342878670383205
Energy: 0.9322099913311997

minimum gb energy = 0.9010169317821011 eV
minimum distance =  2.26929433723111 Angstroms
sigma value = 365


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

Energy: 0.39983999447137214
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 1.8959703651017226
Energy: 1.0606792467644695
Energy: 1.8959614141217183
Energy: 1.060679246763311
Energy: 1.8959659230735344
Energy: 1.0606792467644695
Energy: 1.8959605129349082
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.39983999447137214
Energy: 1.998379856395461
Energy: 1.0606792467621526
Energy: 1.9983871280647088
Energy: 1.060679246763311
Energy: 1.8959746978308984
Energy: 1.060679246763311
Energy: 1.895963525906284
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 1.9293522590225873
Energy: 1.0606792467621526
Energy: 1.9983774336772293
Energy: 1.060679246765628
Energy: 1.895967954881652
Energy: 1.0606792467644695
Energy: 1.895967876173211
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 1.8959620148905623
Energy: 1.0606792467644695
Energy: 1.8959622701759609
Energy: 1.060679246760994
Energy: 1.8959642464793869
Energy: 1.0606792467644695
Energy: 1.8959645825147975
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 1.8959720075247892
Energy: 1.0606792467644695
Energy: 1.8959620704473337
Energy: 1.0606792467644695
Energy: 1.8959617904620583
Energy: 1.0606792467644695
Energy: 1.8959615252596425
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 1.8959758827155362
Energy: 1.0606792467644695
Energy: 1.895965718476722
Energy: 1.0606792467644695
Energy: 1.8959663270121925
Energy: 1.060679246763311
Energy: 1.895967371713092
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.3998399944702136
Energy: 1.895967014948546
Energy: 1.060679246765628
Energy: 1.895965133245791
Energy: 1.0606792467644695
Energy: 1.895971100981117
Energy: 1.060679246765628
Energy: 1.8959754562991673
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 0.3225676908447964
Energy: 0.3998399944702136
Energy: 1.8959648488960423
Energy: 1.0606792467644695
Energy: 1.8959607062366908
Energy: 1.0606792467644695
Energy: 1.8959668973155044
Energy: 1.0606792467644695
Energy: 1.8959647533168578
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.39983999447137214
Energy: 0.3225676908447964
Energy: 0.3998399944702136
Energy: 0.3225676908447964
Energy: 0.3998399944702136
Energy: 1.895962366895744
Energy: 1.0606792467621526
Energy: 1.8959675064206682
Energy: 1.0606792467621526
Energy: 1.895971410938613
Energy: 1.0606792467644695
Energy: 1.8959767460442523
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.3998399944702136
Energy: 0.32256769084363784
Energy: 0.39983999447137214
Energy: 0.32256769084363784
Energy: 0.39983999447137214
Energy: 1.8959724382129775
Energy: 1.0606792467644695
Energy: 1.8959752975586963
Energy: 1.0606792467644695
Energy: 1.8959771109436443
Energy: 1.0606792467644695
Energy: 1.8959850008719366

minimum gb energy = 0.32256769084363784 eV
minimum distance =  2.25549529189344 Angstroms
sigma value = 23