Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.176897808909416
cohesive_energy=7.38391435376031
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: 0.02618527727073193
Energy: 0.6449628827279116
Energy: 0.37625862125120757
Energy: 0.6449680512785416
Energy: 0.02618527727073193
Energy: 0.6449628827279116
Energy: 0.37625862125120757
Energy: 0.6945788328152617
Energy: 0.027084399165003794
Energy: 0.31323468587374237
Energy: 0.027045970739778203
Energy: 0.6945788328171371
Energy: 0.02708439916312841
Energy: 0.31323468587374237
Energy: 0.02618527727073193
Energy: 0.6449628827279116
Energy: 0.37625862125120757
Energy: 0.6449680512785416
Energy: 0.02618527727073193
Energy: 0.6449628827279116
Energy: 0.37625862125120757
Energy: 0.6945788328152617
Energy: 0.027084399165003794
Energy: 0.31323468587374237
Energy: 0.027045970739778203
Energy: 0.6945788328190123
Energy: 0.02708439916312841
Energy: 0.31323468587561776
Energy: 0.02618527727073193
Energy: 0.6449628827279116
Energy: 0.3762586212493322
Energy: 0.6449680512785416
Energy: 0.026185277268856545
Energy: 0.6449628827279116
Energy: 0.37625862125120757
Energy: 0.6945788328152617
Energy: 0.027084399165003794
Energy: 0.31323468587374237
Energy: 0.027045970737902814
Energy: 0.6945788328190123
Energy: 0.02708439916312841
Energy: 0.31323468587374237

minimum gb energy = 0.026185277268856545 eV
minimum distance =  2.92586937832107 Angstroms
sigma value = 5


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

Energy: 1.29678749794592
Energy: 1.2831695741865607
Energy: 1.1953556142127966
Energy: 1.2827414473089749
Energy: 1.2967874979436704
Energy: 1.2831695741865607
Energy: 1.2105087095882119
Energy: 1.1590134927159779
Energy: 1.1537600985099796
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Energy: 1.2587863719952612
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Energy: 1.153760098500815
Energy: 1.201674519150036
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Energy: 1.2570904902073896
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Energy: 1.2202237741052229
Energy: 1.3211384983125505
Energy: 1.1781912519441948
Energy: 1.1565137092995261
Energy: 1.129615154667148
Energy: 1.3211384983057188
Energy: 1.1781912519419455
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Energy: 1.1667537518001099
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Energy: 0.7320888132624138
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Energy: 1.226003988653657
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Energy: 1.2831139123981796
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Energy: 1.320955837770404
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Energy: 1.2112089790457308
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Energy: 1.2485517666189003
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Energy: 1.351286794404796
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Energy: 1.2231670675691668
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Energy: 1.1748523514451437
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Energy: 1.2231670675645843
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Energy: 1.2731101917646936
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Energy: 1.2666923471957456
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Energy: 1.2597198097261162
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Energy: 1.2597198097283657
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Energy: 1.1843175488983368
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Energy: 1.2176159042699108
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Energy: 1.2511130088074058
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Energy: 1.2176159042767427
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Energy: 1.0832102933488637
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Energy: 1.251148095870819
Energy: 1.250390088286863
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Energy: 1.2292135877051407
Energy: 1.211713926273983
Energy: 1.1637948533504887
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Energy: 1.2292135877096395
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Energy: 1.1637948533573206
Energy: 1.2270659811599298
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Energy: 1.1978931796428516
Energy: 1.1508198055101078
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Energy: 1.2279588724911619
Energy: 1.257973075807283
Energy: 1.2095470986606294
Energy: 1.235051253718125
Energy: 1.227958872495744
Energy: 1.2579730758027006
Energy: 1.3166903438874566
Energy: 0.756944595762557
Energy: 1.1697619905304038
Energy: 1.3409587302312511
Energy: 1.3166903438897892
Energy: 0.7569445957717217
Energy: 1.1697619905304038
Energy: 1.1814469543456476
Energy: 1.2229653154524847
Energy: 1.1724676999304497
Energy: 1.1588874776743643
Energy: 1.1814469543478971
Energy: 1.2229653154433202
Energy: 1.172467699935032
Energy: 1.258437365555982
Energy: 1.2218598609191196
Energy: 1.2018543299161013
Energy: 1.2193564220355908
Energy: 1.258437365560564
Energy: 1.2218598609214524
Energy: 1.201854329904687
Energy: 1.2898940368060525
Energy: 1.1517778132493144
Energy: 1.1327334448204014
Energy: 1.1765086361337271
Energy: 1.2898940367992204
Energy: 1.1517778132561463
Energy: 1.1327334448273165
Energy: 1.2337012660989441
Energy: 1.1959908772669303
Energy: 1.235429228089351
Energy: 1.1796583641541514
Energy: 1.2337012660943618
Energy: 1.1959908772715124
Energy: 1.2354292280618573

minimum gb energy = 0.7320888132624138 eV
minimum distance =  2.58028224301276 Angstroms
sigma value = 401


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

Energy: 1.1840692896495364
Energy: 1.3187250551499095
Energy: 1.2029911524956403
Energy: 1.339466761882111
Energy: 1.1840692896469829
Energy: 1.3187250551473562
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Energy: 1.2983720106053458
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Energy: 1.3046876397520601
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Energy: 1.2321328532010234
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Energy: 1.2963190394559758
Energy: 1.2984933863951584
Energy: 1.2646507470176593
Energy: 1.3243734520373571
Energy: 1.3205680496982652
Energy: 1.2212276290722077
Energy: 1.2646507470176593
Energy: 1.3243734520373571
Energy: 1.3205680496982652
Energy: 1.3026755598391901
Energy: 1.2659745901684245
Energy: 1.2885718750422648
Energy: 1.2214078005107787
Energy: 1.3026755598365425
Energy: 1.2659745901268136
Energy: 1.2885718750422648
Energy: 1.1906125872929552
Energy: 1.208521074400751
Energy: 1.2979977503700173
Energy: 1.224754329179331
Energy: 1.1906125872929552
Energy: 1.208521074400751
Energy: 1.2979977503726654
Energy: 1.333426842194828
Energy: 1.1832588119271825
Energy: 1.2236977286727964
Energy: 1.1973166922463856
Energy: 1.333426842194828
Energy: 1.183258811924629
Energy: 1.2236977286779978
Energy: 1.213363443801348
Energy: 1.3476563632142466
Energy: 1.210492450235603
Energy: 1.1512758978864523
Energy: 1.2133634437961467
Energy: 1.3476563632142466
Energy: 1.210492450235603
Energy: 1.1719788089807828
Energy: 1.3187250551499095
Energy: 1.2029911524981936
Energy: 1.339466761884759
Energy: 1.1719788089834309
Energy: 1.3187250551473562
Energy: 1.2029911524981936
Energy: 1.2253647629007727
Energy: 1.132540610584429
Energy: 1.1157571767482248
Energy: 1.3103791323361673
Energy: 1.2253647628982194
Energy: 1.1325406105869822
Energy: 1.115757176745577

minimum gb energy = 1.1153223947059372 eV
minimum distance =  2.63996749020064 Angstroms
sigma value = 311


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

Energy: 1.2513984516408923
Energy: 1.3597105614995963
Energy: 1.2185440101438667
Energy: 1.3595277712777547
Energy: 1.2513984516402914
Energy: 1.3597105614980676
Energy: 1.2048128602744468
Energy: 1.3574219694219047
Energy: 1.3064632170014014
Energy: 1.1805360177857542
Energy: 1.2681979171879383
Energy: 1.3574219694210312
Energy: 1.3064632170044042
Energy: 1.1805360177848263
Energy: 1.1921754260140507
Energy: 1.1224410449590707
Energy: 1.193570023405378
Energy: 1.210273104245699
Energy: 1.1921754260182547
Energy: 1.1224410449624016
Energy: 1.19649577185964
Energy: 1.1911524274703387
Energy: 1.1857419482718015
Energy: 1.3072902748985769
Energy: 1.2522517652415504
Energy: 1.1911524274670078
Energy: 1.1857419482708735
Energy: 1.3072902748989046
Energy: 1.198062574769334
Energy: 1.254921666769964
Energy: 1.2330258674089518
Energy: 1.121356140610637
Energy: 1.1980625749014122
Energy: 1.254921666768763
Energy: 1.1952490782347969
Energy: 1.2597308660667155
Energy: 1.2338698532198134
Energy: 1.2552447275448646
Energy: 1.2843818847924577
Energy: 1.2597308660682445
Energy: 1.2338698532200862
Energy: 1.255244727544264
Energy: 1.2411001528642676
Energy: 1.3113051930342208
Energy: 1.2104728291325664
Energy: 1.212739609471877
Energy: 1.2411001528675984
Energy: 1.3113051930342208
Energy: 1.2104728291355693
Energy: 1.1508296255151347
Energy: 1.16886322163474
Energy: 1.277751410995348
Energy: 1.2541215699058104
Energy: 1.1508296255121315
Energy: 1.1688632216350676
Energy: 1.2777514109929458
Energy: 1.2648964164397685
Energy: 1.2529465619136446
Energy: 1.270543616994771
Energy: 1.1670125649449188
Energy: 1.2648964164406418
Energy: 1.252946561912771
Energy: 1.2705436169950988
Energy: 1.195581151571327
Energy: 1.1663279726973221
Energy: 1.2915151825395124
Energy: 1.3110037143783804
Energy: 1.195581151569853
Energy: 1.1663279726955205
Energy: 1.2915151825487947
Energy: 1.4990327933611531
Energy: 1.3372960522419137
Energy: 1.2818581278516705
Energy: 1.2037233377828398
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Energy: 1.281858127849268
Energy: 1.2302168811203111
Energy: 1.2803818212214675
Energy: 1.2463356744975411
Energy: 1.3053569874886468
Energy: 1.2302168811229863
Energy: 1.280381821222068
Energy: 1.2463356744951386
Energy: 1.2681675314751675
Energy: 1.2492904739923854
Energy: 1.2991660911253853
Energy: 1.1851222301397224
Energy: 1.268167531482648
Energy: 1.2492904739908566
Energy: 1.2991660911203076
Energy: 1.3526934947683875
Energy: 1.1222480231005456
Energy: 1.2297174895408005
Energy: 1.1447138638832377
Energy: 1.3526934947687153
Energy: 1.1222480231026752
Energy: 1.2297174895389986
Energy: 1.257883105774591
Energy: 1.1851177153306516
Energy: 1.3000612051591658
Energy: 1.2492766451202781
Energy: 1.2578831057769386
Energy: 1.1851177153309793
Energy: 1.3000612051609675
Energy: 1.2366913856474437
Energy: 1.3053998621053704
Energy: 1.246345140782189
Energy: 1.2806504960805698
Energy: 1.2366913856441133
Energy: 1.3053998621056435
Energy: 1.2463451407797865
Energy: 1.4990262832447716
Energy: 1.236439386159983
Energy: 1.2817162445155024
Energy: 1.348508393929044
Energy: 1.4990262832471744
Energy: 1.2364393861623855
Energy: 1.2817162445155024
Energy: 1.2744791328271035
Energy: 1.3109455240104928
Energy: 1.1836901847177361
Energy: 1.118304486609233
Energy: 1.2744791328265028
Energy: 1.3109455240092915
Energy: 1.1836901847177361
Energy: 1.2746011734032867
Energy: 1.1675843084118127
Energy: 1.3291710033627873
Energy: 1.252721134234934
Energy: 1.2746011734032867
Energy: 1.1675843084115396
Energy: 1.3291710033621864
Energy: 1.15370488587964
Energy: 1.2540481049641437
Energy: 1.2837395765225408
Energy: 1.1683605348099406
Energy: 1.153704885882643
Energy: 1.2540481049632701
Energy: 1.2837395765207391
Energy: 1.2407679036011976
Energy: 1.212828388371849
Energy: 1.397924630266333
Energy: 1.3102963745106955
Energy: 1.2407679036029995
Energy: 1.2128283883733229
Energy: 1.397924630268135
Energy: 1.269120394952808
Energy: 1.2841289963448559
Energy: 1.2580215050876336
Energy: 1.2041173586544702
Energy: 1.2691203949516068
Energy: 1.2841289963451834
Energy: 1.2580215050843575
Energy: 1.1981750839881087
Energy: 1.1214725028107766
Energy: 1.206562574224281
Energy: 1.3110744182029854
Energy: 1.1981750839949883
Energy: 1.121472502810449
Energy: 1.2065625742239532
Energy: 1.2336351990222776
Energy: 1.2521285699321933
Energy: 1.3073060909410064
Energy: 1.1862227066946849
Energy: 1.2336351990234788
Energy: 1.2521285699343228
Energy: 1.3073060909442824
Energy: 1.1969231797201578
Energy: 1.2155780141618413
Energy: 1.2258491969280416
Energy: 1.1460835875209956
Energy: 1.1969231797177553
Energy: 1.2155780141624422
Energy: 1.2258491969235645
Energy: 1.3801128292665015
Energy: 1.2681713104409906
Energy: 1.1806510464480844
Energy: 1.306336574101038
Energy: 1.380112829266174
Energy: 1.26817131044039
Energy: 1.180651046451688
Energy: 1.2513984516393633
Energy: 1.3597105614983953
Energy: 1.223862659429825
Energy: 1.3595277712756797
Energy: 1.2513984516390906
Energy: 1.3597105614983953
Energy: 1.2238626594271498
Energy: 1.3152130349345748
Energy: 1.3249824265187695
Energy: 1.1805360177854267
Energy: 1.2681979171864095
Energy: 1.3152130349343016
Energy: 1.3249824265187695
Energy: 1.1805360177848263
Energy: 1.2304629644207095
Energy: 1.1224410449636024
Energy: 1.19649577185964
Energy: 1.215808948713234
Energy: 1.2304629644137752
Energy: 1.1224410449632751
Energy: 1.196495771858111
Energy: 1.1911524274685368
Energy: 1.185741948272402
Energy: 1.3072902749009794
Energy: 1.2522517652415504
Energy: 1.1911524274676086
Energy: 1.1857419482744769
Energy: 1.3072902748985769
Energy: 1.1980625747618538
Energy: 1.2549216667555498
Energy: 1.1952490782795147
Energy: 1.121356140610637
Energy: 1.1980625747294211
Energy: 1.2549216667552767
Energy: 1.195249078278914
Energy: 1.2597308660781272
Energy: 1.2041661739008913
Energy: 1.2552447275430625
Energy: 1.2760611668680928
Energy: 1.2597308660763251
Energy: 1.204166173900564
Energy: 1.2552447275439362
Energy: 1.241100152860391
Energy: 1.3092136566296249
Energy: 1.2104728291328393
Energy: 1.212739609480613
Energy: 1.2411001528600636
Energy: 1.3092136566317543
Energy: 1.2104728291310374
Energy: 1.1508296255130053
Energy: 1.1688632216449506
Energy: 1.277751410986066
Energy: 1.2541215699091408
Energy: 1.1508296255145338
Energy: 1.1688632216446773
Energy: 1.2777514109854653
Energy: 1.3377854647704657
Energy: 1.2529465619145728
Energy: 1.3290739514248824
Energy: 1.1670125649469938
Energy: 1.3377854647695375
Energy: 1.2529465619130438
Energy: 1.3290739514224799
Energy: 1.1955811515701256
Energy: 1.1663279726981959
Energy: 1.1841652350188223
Energy: 1.3110037143789812
Energy: 1.1955811515710542
Energy: 1.1663279726955205
Energy: 1.1841652350233538

minimum gb energy = 1.118304486609233 eV
minimum distance =  2.65737633224524 Angstroms
sigma value = 39


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

Energy: 1.2018675257811182
Energy: 1.3903061135992407
Energy: 1.1665766348962685
Energy: 1.3876817258867755
Energy: 1.201867525781505
Energy: 1.390306113597823
Energy: 1.175195766907421
Energy: 1.3818337347457792
Energy: 1.1447025679756846
Energy: 0.9743279582077471
Energy: 1.1448712677710693
Energy: 1.3818337347535765
Energy: 1.1447025679749756
Energy: 0.9743279582098736
Energy: 1.201907656593683
Energy: 1.335591210625963
Energy: 0.9750667408880455
Energy: 1.4107310049344646
Energy: 1.2019076565908478
Energy: 1.3355912106245453
Energy: 0.9750667408884321
Energy: 1.4493317650464155
Energy: 1.144764658212713
Energy: 0.9748970295216013
Energy: 1.0540461504553527
Energy: 1.449331765048542
Energy: 1.1447646582155482
Energy: 0.9748970295226967
Energy: 1.3671351180365323
Energy: 1.163224798370186
Energy: 1.1700845823198511
Energy: 1.4105594559885888
Energy: 1.3671351180403988
Energy: 1.1632247983708948
Energy: 1.1700845823209465
Energy: 1.4495089134982193
Energy: 0.9715801906299144
Energy: 1.4517751288367167
Energy: 1.050676173587324
Energy: 1.4495089135017634
Energy: 0.9715801906256614
Energy: 1.451775128835299
Energy: 1.4666952360566083
Energy: 1.4109240972042567
Energy: 1.4251330339248696
Energy: 1.4095054296571206
Energy: 1.4666952360526773
Energy: 1.4109240972031616
Energy: 1.235468665000183
Energy: 1.449830273647636
Energy: 1.129536912745099
Energy: 1.5967319072921882
Energy: 1.1290387563260416
Energy: 1.4498302736490536
Energy: 1.1295369127475476
Energy: 1.596731907290384
Energy: 1.4666498879347643
Energy: 1.4095823022281357
Energy: 1.1874595611835805
Energy: 1.4109567367920266
Energy: 1.4666498879301249
Energy: 1.4095823022281357
Energy: 1.1874595611860292
Energy: 1.4495004517530048
Energy: 1.0503856616333866
Energy: 1.3639799649785653
Energy: 0.9713910715998599
Energy: 1.4495004517537136
Energy: 1.050385661630165
Energy: 1.3639799649743123
Energy: 1.3667806125929474
Energy: 1.4107910563834434
Energy: 1.081517494238037
Energy: 1.1632302124298033
Energy: 1.3667806125918516
Energy: 1.4107910563827346
Energy: 1.037963230426358
Energy: 1.4493454001775767
Energy: 1.053823604567981
Energy: 0.9747444351933678
Energy: 1.1445933631993586
Energy: 1.449345400184343
Energy: 1.0538236045690763
Energy: 0.9747444351876972
Energy: 1.2020382585964842
Energy: 1.4109421869114784
Energy: 1.124205975316853
Energy: 1.3355737394961313
Energy: 1.2020382585982883
Energy: 1.4109421869147005
Energy: 1.0495318185836648
Energy: 1.3815566896288212
Energy: 1.144899663834848
Energy: 0.9743252025164345
Energy: 1.1452446597258898
Energy: 1.3815566896266946
Energy: 1.1448996638341393
Energy: 0.974325202519592
Energy: 1.201867525781827
Energy: 1.3903061135989183
Energy: 1.1751957669052946
Energy: 1.3876817258871625
Energy: 1.201867525781827
Energy: 1.3903061135992407
Energy: 1.175195766908452
Energy: 1.3818337347461658
Energy: 1.1447025679760712
Energy: 0.9743279582137401
Energy: 1.1448712677516084
Energy: 1.3818337347518364
Energy: 1.1447025679771021
Energy: 0.9743279582087783
Energy: 1.2019076565932965
Energy: 1.3355912106277672
Energy: 0.9750667408930073
Energy: 1.4107310049347868
Energy: 1.2019076565911697
Energy: 1.335591210625254
Energy: 0.9750667408898498
Energy: 1.4493317650467379
Energy: 1.1447646582116822
Energy: 0.9748970295237277
Energy: 1.0540461504553527
Energy: 1.4493317650481556
Energy: 1.1447646582155482
Energy: 0.9748970295208924
Energy: 1.3671351180365323
Energy: 1.1632247983712172
Energy: 1.17008458232056
Energy: 1.4105594559892978
Energy: 1.3671351180411075
Energy: 1.1632247983708948
Energy: 1.1700845823219777
Energy: 1.4495089134985415
Energy: 0.971580190627079
Energy: 1.4517751288370389
Energy: 1.0506761735862284
Energy: 1.4495089135020858
Energy: 0.9715801906246303
Energy: 1.4517751288409697
Energy: 1.4666952360566083
Energy: 1.4109240972049657
Energy: 1.235468665003727
Energy: 1.4095054296564116
Energy: 1.466695236053773
Energy: 1.4109240972028392
Energy: 1.2354686649984428
Energy: 1.4498302736479582
Energy: 1.1295369127454213
Energy: 1.5967319072921882
Energy: 1.129038756324624
Energy: 1.4498302736490536
Energy: 1.1295369127447124
Energy: 1.5967319072896753
Energy: 1.4666498879350864
Energy: 1.4095823022285223
Energy: 1.1874595611828718
Energy: 1.4109567367909956
Energy: 1.4666498879301249
Energy: 1.409582302230971
Energy: 1.187459561187447
Energy: 1.4495004517541001
Energy: 1.0503856616312603
Energy: 1.3639799649788875
Energy: 0.9713910715981201
Energy: 1.4495004517541001
Energy: 1.0503856616298428
Energy: 1.3639799649746347
Energy: 1.3667806125918516
Energy: 1.4107910563830566
Energy: 1.01537957807158
Energy: 1.1632302124280633
Energy: 1.3667806125961046
Energy: 1.4107910563837656
Energy: 1.01537957807332
Energy: 1.449345400176868
Energy: 1.0538236045665634
Energy: 0.9747444351933678
Energy: 1.1445933632003897
Energy: 1.4493454001832473
Energy: 1.0538236045686897
Energy: 0.974744435188406
Energy: 1.2020382585975795
Energy: 1.4109421869107697
Energy: 1.049531818582247
Energy: 1.3355737394961313
Energy: 1.202038258599706
Energy: 1.4109421869157315
Energy: 1.0495318185815383
Energy: 1.3815566896298521
Energy: 1.1448996638331084
Energy: 0.974325202515339
Energy: 1.1452446597301427
Energy: 1.381556689625599
Energy: 1.1448996638369746
Energy: 0.9743252025117948
Energy: 1.2018675257846623
Energy: 1.390306113597823
Energy: 1.1751957669041988
Energy: 1.3876817258864536
Energy: 1.2018675257807963
Energy: 1.3903061135971142
Energy: 1.175195766906712
Energy: 1.3818337347461658
Energy: 1.1447025679728493
Energy: 0.9743279582120001
Energy: 1.1448712677384631
Energy: 1.3818337347528675
Energy: 1.1447025679763934
Energy: 0.9743279582063296

minimum gb energy = 0.9713910715981201 eV
minimum distance =  2.60563660587063 Angstroms
sigma value = 21


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

Energy: 1.198698469256534
Energy: 1.408792496248001
Energy: 1.1222623248119517
Energy: 1.4059964013742834
Energy: 1.1986984692539522
Energy: 1.4087924962471403
Energy: 1.1200629981282564
Energy: 1.2696037311251112
Energy: 1.1773855576070467
Energy: 1.4211468207590547
Energy: 1.1772999390340553
Energy: 1.2696037311238204
Energy: 1.1773855576074768
Energy: 1.4211468207607756
Energy: 1.1987059906628457
Energy: 1.2378694437016844
Energy: 1.0445119576403266
Energy: 1.3693134207549045
Energy: 1.1987059906628457
Energy: 1.2378694437042657
Energy: 1.0445119576411872
Energy: 1.4260524505579821
Energy: 1.1763797198361472
Energy: 1.1571266822006774
Energy: 1.1269373642029175
Energy: 1.4260524505584125
Energy: 1.176379719837438
Energy: 1.1571266822006774
Energy: 1.1354829986153956
Energy: 1.2521818804462492
Energy: 1.1614012671854022
Energy: 1.14962956829479
Energy: 1.1354829986149653
Energy: 1.2521818804488305
Energy: 1.1614012671849723
Energy: 1.4268961962465416
Energy: 1.1633363544996753
Energy: 1.2347597478748797
Energy: 1.1459889284989249
Energy: 1.4268961962465416
Energy: 1.1633363544975241
Energy: 1.234759747871868
Energy: 1.178718316858033
Energy: 1.2474325957694328
Energy: 1.1701730571810707
Energy: 1.2993508864887338
Energy: 1.1787183168601845
Energy: 1.2474325957698629
Energy: 1.1623481630585952
Energy: 1.2311934850038042
Energy: 1.2791984763206004
Energy: 1.2928222262921405
Energy: 1.1453205736616796
Energy: 1.2311934850029436
Energy: 1.2791984763223214
Energy: 1.2928222262942919
Energy: 1.170363572627128
Energy: 1.146923490519487
Energy: 1.3048883163516085
Energy: 1.2000628194058192
Energy: 1.1703635726275583
Energy: 1.1469234905190568
Energy: 1.304888316349027
Energy: 1.1953746237694238
Energy: 1.1636249084679526
Energy: 1.1562717388062214
Energy: 1.1449778647971955
Energy: 1.1953746237694238
Energy: 1.163624908467092
Energy: 1.1562717388053612
Energy: 1.2027067615119373
Energy: 1.042077201834751
Energy: 1.2666097450925233
Energy: 1.0432813137497148
Energy: 1.2027067615106466
Energy: 1.04207720183303
Energy: 1.266609745093384
Energy: 1.1116965877050013
Energy: 1.2102115929128854
Energy: 1.064619917370201
Energy: 1.1288607939538773
Energy: 1.1116965877067222
Energy: 1.210211592912455
Energy: 1.0646199173482587
Energy: 1.3315959213802206
Energy: 1.0429424357197736
Energy: 1.202681870652069
Energy: 1.0323063566103683
Energy: 1.3315959213802206
Energy: 1.042942435719343
Energy: 1.202681870651639
Energy: 1.1325447540258329
Energy: 1.210574358744194
Energy: 1.2153915468812369
Energy: 1.1812443287670065
Energy: 1.1325447540254028
Energy: 1.210574358748066
Energy: 1.2153915468825276
Energy: 1.2742191556246387
Energy: 1.0921971562853063
Energy: 1.202667564911492
Energy: 1.036651796883352
Energy: 1.2742191556211968
Energy: 1.0921971562857367
Energy: 1.202667564911492
Energy: 1.1323660635941837
Energy: 1.2390815101646588
Energy: 1.1541865605277721
Energy: 1.2401702303718902
Energy: 1.1323660635920325
Energy: 1.2390815101676702
Energy: 1.1541865605286323
Energy: 1.2744532756023077
Energy: 1.2480503994598997
Energy: 1.2680861537821513
Energy: 1.1232928268253577
Energy: 1.2744532756023077
Energy: 1.2480503994590393
Energy: 1.2680861537821513
Energy: 1.1319195216393512
Energy: 1.2673960804128812
Energy: 1.100585124341979
Energy: 1.147507119467097
Energy: 1.131919521638921
Energy: 1.2673960804137416
Energy: 1.1005851243411187
Energy: 1.3196206731002345
Energy: 1.3153603941465006
Energy: 1.192145937365746
Energy: 1.1234723846112404
Energy: 1.3196206731002345
Energy: 1.31536039414521
Energy: 1.1921459373691878
Energy: 1.1407747692240195
Energy: 1.112852260756696
Energy: 1.3379006193742649
Energy: 1.1125019584370954
Energy: 1.1407747692244499
Energy: 1.1128522607549753
Energy: 1.3379006193742649
Energy: 1.3198247911752115
Energy: 1.1242689502892593
Energy: 1.1914946048534116
Energy: 1.3154547750023449
Energy: 1.3198247911752115
Energy: 1.1242689502858174
Energy: 1.1914946048534116
Energy: 1.1322410933894838
Energy: 1.1476662808562819
Energy: 1.1005761158633125
Energy: 1.2672868075628525
Energy: 1.1322410933890537
Energy: 1.1476662808562819
Energy: 1.1005761158628824
Energy: 1.274147340095998
Energy: 1.041537921206779
Energy: 1.26796961966526
Energy: 1.2480502729617804
Energy: 1.2741473400972887
Energy: 1.0415379212054883
Energy: 1.2679696196648298
Energy: 1.1325067926114534
Energy: 1.2826847184491403
Energy: 1.1541779392754028
Energy: 1.239161302620372
Energy: 1.1325067926105927
Energy: 1.282684718450001
Energy: 1.1541779392736822
Energy: 1.2743691571313918
Energy: 1.0341878501412873
Energy: 1.2028232909473133
Energy: 1.2276811910637317
Energy: 1.274369157126659
Energy: 1.034187850138706
Energy: 1.2028232909451617

minimum gb energy = 1.0323063566103683 eV
minimum distance =  2.61362354553225 Angstroms
sigma value = 113


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

Energy: 1.1334781800919647
Energy: -1.4209591358191747
Energy: 0.9211878788653021
Energy: -1.373804406578989
Energy: 1.1334781800944094
Energy: -1.3684798712516026
Energy: 0.9803478184377294
Energy: 1.270465307374476
Energy: 1.2613850606473105
Energy: 1.4258332071408308
Energy: 1.1714042772897881
Energy: 1.2704653073792782
Energy: 1.2613850606569155
Energy: 1.4258332071432755
Energy: 1.1323109586773883
Energy: -1.3209274319080069
Energy: 1.1174686049951308
Energy: 1.1150611550703806
Energy: 1.1323109586773883
Energy: -1.3045336109959786
Energy: 1.1174686049903282
Energy: 1.066762925419994
Energy: 1.2626470682518118
Energy: 1.1150826209700702
Energy: 1.177243580500363
Energy: 1.0667629254151914
Energy: 1.262647068256614
Energy: 1.1150826161218557
Energy: 1.1310662598672248
Energy: 1.1562442125857981
Energy: 1.1735617155000768
Energy: 1.1124807592211854
Energy: 1.1310662598768295
Energy: 1.1562442125857981
Energy: 1.1735617155000768
Energy: 1.0651566978663511
Energy: 1.1968844960454181
Energy: 1.3699478570208163
Energy: 1.1118771962207012
Energy: 1.065156697868796
Energy: 1.1968844960454181
Energy: 1.369947856840771
Energy: 1.1100963674831754
Energy: 0.8236888821404044
Energy: 1.148407398534147
Energy: 1.0476250979533572
Energy: 1.1100963674760156
Energy: 0.8236890407331092
Energy: 1.1484073985365917
Energy: 1.064163007363711
Energy: 1.1006168257151885
Energy: 1.4011108764095077
Energy: 1.0966946726348206
Energy: 1.0641630073685133
Energy: 1.100616825717546
Energy: 1.4011108764095077
Energy: 1.1120222552405272
Energy: 1.1604227379529273
Energy: 1.10868775160735
Energy: 1.0889290067243051
Energy: 1.1120222557013804
Energy: 1.1604227379457672
Energy: 1.1086877516025473
Energy: 1.062513483035814
Energy: 1.1004298780760835
Energy: 1.0961601989905003
Energy: 1.1222170829606428
Energy: 1.0625134830333691
Energy: 1.100429878073726
Energy: 1.0961601989496366
Energy: 1.112624029176275
Energy: 1.1331766423120402
Energy: 1.0348030078124377
Energy: 1.060973105239949
Energy: 1.1126240291786327
Energy: 1.1331766423120402
Energy: 1.0348030078076353
Energy: 1.0621879218427452
Energy: 1.045224720446146
Energy: 1.3381828977250438
Energy: 1.0578540736822377
Energy: 1.0621879218427452
Energy: 1.045224720455751
Energy: 1.3381828977274888
Energy: 1.1044435969163577
Energy: 1.19809255361051
Energy: 1.0340233143705986
Energy: 1.1531979307895552
Energy: 1.1044435969259625
Energy: 1.1980925536081526
Energy: 1.0340233143682411
Energy: 1.0511172932696762
Energy: 1.0537846638910413
Energy: 1.4860017207647094
Energy: 1.068160178114408
Energy: 1.0511172932744783
Energy: 1.0537846638933988
Energy: 1.4860017207622644
Energy: 1.1172624591258644
Energy: 1.1747959413171012
Energy: 1.0687329385299622
Energy: 1.0547658760537615
Energy: 1.1172624591282219
Energy: 1.174795941324261
Energy: 1.0687329386763909
Energy: 1.0574395738154863
Energy: 1.10598941575113
Energy: 1.30849262638261
Energy: 1.0489737562801058
Energy: 1.0574395738058813
Energy: 1.1059894157607346
Energy: 1.3084926263994618
Energy: 1.0769951327995944
Energy: 1.1984752772595042
Energy: 1.0584382698224584
Energy: 1.1239888846572146
Energy: 1.076995132794792
Energy: 1.1984752772643064
Energy: 1.0584382713513594
Energy: 1.0622209323216254
Energy: 1.0307113756989368
Energy: 0.9644936865784969
Energy: 1.0902507689716712
Energy: 1.062220932319268
Energy: 1.0307113757037394
Energy: 0.9644936865809417
Energy: 1.076633476336559
Energy: 1.1277486957885654
Energy: 1.280820468395676
Energy: 1.1897908232921108
Energy: 1.0766334763269543
Energy: 1.1277486957862082
Energy: 1.3318848046986445
Energy: 1.110882648292191
Energy: 1.0716598148670011
Energy: 0.9063196204017141
Energy: 1.0621260632057146
Energy: 1.1108826482969933
Energy: 1.0716598148789636
Energy: 0.9063196203945542
Energy: 1.1322279149898367
Energy: 1.0591150669593852
Energy: 1.3008543068139664
Energy: 1.0944706890509177
Energy: 1.1322279149874792
Energy: 1.0591150669617426
Energy: 1.3008543068211265
Energy: 1.1111754577129396
Energy: 1.0740287791365988
Energy: 1.1555068759994438
Energy: 1.0667028645204366
Energy: 1.1111754577081374
Energy: 1.0740287791390435
Energy: 1.155506875996999
Energy: 1.0536582729440673
Energy: 1.103984201962458
Energy: 1.2239668671434256
Energy: 1.254782008865515
Energy: 1.053658272939265
Energy: 1.1039842019552106
Energy: 1.223966867140981
Energy: 1.0816110393620764
Energy: 1.153974254104413
Energy: 0.9446959983622427
Energy: 1.1448140675698673
Energy: 1.0816110393501142
Energy: 1.1539742540972528
Energy: 0.9446959983453906
Energy: 1.0532133384759041
Energy: 1.1720510515333835
Energy: 1.3846698870411713
Energy: 1.357220015312276
Energy: 1.0532133384830642
Energy: 1.1720510515309388
Energy: 1.3846698870411713
Energy: 1.1473124687265868
Energy: 1.0254944042487824
Energy: 1.1126649604372714
Energy: 1.0107533558170245
Energy: 1.1473124687241418
Energy: 1.0254944042535847
Energy: 1.112664960432469
Energy: 1.1063175977394877
Energy: 1.156738315796833
Energy: 1.090568978927428
Energy: 1.1915719925049857
Energy: 1.1063175977563395
Energy: 1.156738315801635
Energy: 1.0905689789153785
Energy: 1.1800619751565047
Energy: 1.2084115523599033
Energy: 1.081158644073426
Energy: 1.1013599790904538
Energy: 1.1800619751588624
Energy: 1.2084115523647057
Energy: 1.0811586440686238
Energy: 1.1920773573049697
Energy: 1.148297949809191
Energy: 1.1574142602693118
Energy: 1.356951037418771
Energy: 1.1920773573049697
Energy: 1.148297949830758
Energy: 1.1574142602549047
Energy: 1.1406723707105089
Energy: 1.184042271342242
Energy: 1.0589117486178892
Energy: 1.0116548818967674
Energy: 1.1406723707032618
Energy: 1.1840422713470444
Energy: 1.0589117486155317
Energy: 1.2341478112947752
Energy: 1.2054051412713163
Energy: 1.3130133027492048
Energy: 1.3387196716571363
Energy: 1.2341478112851705
Energy: 1.2054051412569093
Energy: 1.3130133027468476
Energy: 1.1807272423438417
Energy: 1.155871787429595
Energy: 1.0048614237148856
Energy: 1.0555358735944913
Energy: 1.1807272423438417
Energy: 1.1558717874416446
Energy: 1.004861423719688
Energy: 1.0922235071885817
Energy: 1.031174372147602
Energy: 1.373299500133673
Energy: 1.128637932590668
Energy: 1.0922235071861368
Energy: 1.031174372140442
Energy: 1.373299500133673
Energy: 1.2398945611236516
Energy: 1.0470067954506408
Energy: 1.1391929227457718
Energy: 1.1345418158011982
Energy: 1.2398945611236516
Energy: 1.0470067954433937
Energy: 1.139192922743327
Energy: 1.0391472437612415
Energy: 1.0761900022568651
Energy: 1.182184898446138
Energy: 1.14256716177895
Energy: 1.0391472437684013
Energy: 1.0761900022472606
Energy: 1.1821848984413355
Energy: 1.2397850049875034
Energy: 1.1553295109373989
Energy: 1.2810633471874089
Energy: 1.071756641418073
Energy: 1.2397850049803434
Energy: 1.1553295109350414
Energy: 1.2810633471874089
Energy: 1.0324665628112224
Energy: 1.1655792803782923
Energy: 1.1263644254235106
Energy: 1.1621538395455935
Energy: 1.032466562808865
Energy: 1.16557928037349
Energy: 1.1263644253658822
Energy: 1.0985515365093843
Energy: 1.1474142928314426
Energy: 1.0996454326278187
Energy: 1.1526707891445014
Energy: 1.0985515364998668
Energy: 1.1474142928314426
Energy: 1.0996454326230163
Energy: 1.1644659495261673
Energy: 1.2151189131040299
Energy: 1.1239309059212814
Energy: 1.2197221259517588
Energy: 1.1644659495213652
Energy: 1.2151189130967825
Energy: 1.1239309063965417
Energy: 1.0979392809949884
Energy: 1.1182573547645427
Energy: 1.0813547817987759
Energy: 1.184462329973805
Energy: 1.0979392809805815
Energy: 1.1182573547620978
Energy: 1.0813547817987759
Energy: 1.1427402544206164
Energy: 1.2316450292405332
Energy: 1.225313442086747
Energy: 1.2202514916398348
Energy: 1.1427402544302212
Energy: 1.2316450292380883
Energy: 1.2253134420747847
Energy: 1.09785805540741
Energy: 1.1776299161455155
Energy: 1.4609835072304185
Energy: 1.2018852569222187
Energy: 1.0978580553953603
Energy: 1.177629916140713
Energy: 1.4609835072352206
Energy: 1.0166037433654875
Energy: 1.231774215034341
Energy: 1.0536140497692885
Energy: 1.2185670249542948
Energy: 1.0166037433606852
Energy: 1.2317742150439457
Energy: 1.0536140495028876
Energy: 1.1923165292190052
Energy: 1.17718447944305
Energy: 1.408368170255674
Energy: 1.124099847556872
Energy: 1.1923165292190052
Energy: 1.1771844794454074
Energy: 1.4083681702581188
Energy: 1.0581491428597747
Energy: 1.1973165558076795
Energy: 1.1092672561079384
Energy: 1.2112291919074472
Energy: 1.05814914285017
Energy: 1.1973165558076795
Energy: 1.1092672542070718

minimum gb energy = -1.4209591358191747 eV
minimum distance =  2.52601533088406 Angstroms
sigma value = 365


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

Energy: 1.0873638274494977
Energy: 0.7133891324864324
Energy: 0.2521037386546399
Energy: 0.7133891324864324
Energy: 1.087363827446791
Energy: 0.713389132484267
Energy: 0.5749855124167844
Energy: 1.0873638274473323
Energy: 0.7133891324875153
Energy: 0.9480987514005493
Energy: 0.7133891324858912
Energy: 1.0873638274478739
Energy: 0.7133891324858912
Energy: 0.5749849290773849
Energy: 1.0873638274462496
Energy: 0.7133891324853497
Energy: 1.3862410295998018
Energy: 0.7133891324853497
Energy: 1.0873638274478739
Energy: 0.7133891324869739
Energy: 0.5749841773015096
Energy: 1.0873638274489563
Energy: 0.7133891324864324
Energy: 1.3644244494765516
Energy: 0.7133891324864324
Energy: 1.0873638274478739
Energy: 0.7133891324853497
Energy: 0.5749845445161117
Energy: 1.0873638274462496
Energy: 0.7133891324864324
Energy: 0.9481008468075679
Energy: 0.7133891324864324
Energy: 1.087363827446791
Energy: 0.7133891324869739
Energy: 0.5749854885704826
Energy: 1.087363827446791
Energy: 0.7133891324858912
Energy: 1.5093112223504186
Energy: 0.7133891324853497
Energy: 1.087363827446791
Energy: 0.7133891324869739
Energy: 0.574984194701777
Energy: 1.0873638274494977
Energy: 0.7133891324869739
Energy: 0.574984268469583
Energy: 0.7133891324869739
Energy: 1.087363827446791
Energy: 0.7133891324837257
Energy: 0.5749854867149358
Energy: 1.0873638274478739
Energy: 0.7133891324875153
Energy: 0.9480970169980407
Energy: 0.7133891324858912
Energy: 1.0873638274473323
Energy: 0.7133891324858912
Energy: 0.5749852805822447
Energy: 1.087363827446791
Energy: 0.7133891324864324
Energy: 0.5749842160950972
Energy: 0.7133891324858912
Energy: 1.0873638274473323
Energy: 0.7133891324869739
Energy: 0.5749843612551446
Energy: 1.0873638274500392
Energy: 0.7133891324869739
Energy: 0.5749853172632297
Energy: 0.7133891324864324
Energy: 1.0873638274473323
Energy: 0.713389132484267
Energy: 0.5749855199158475
Energy: 1.087363827446791
Energy: 0.7133891324875153
Energy: 0.9481003233872419
Energy: 0.7133891324864324
Energy: 1.0873638274478739
Energy: 0.7133891324869739
Energy: 0.5749842340781328
Energy: 1.087363827446791
Energy: 0.7133891324853497
Energy: 0.5749840913056095
Energy: 0.7133891324853497
Energy: 1.087363827446791
Energy: 0.7133891324869739
Energy: 0.5749840961552692
Energy: 1.0873638274500392
Energy: 0.7133891324864324
Energy: 0.5749842538762104
Energy: 0.7133891324864324
Energy: 1.0873638274473323
Energy: 0.713389132484267
Energy: 1.000807703721416
Energy: 1.087363827446791
Energy: 0.7133891324869739
Energy: 0.5749851188369001
Energy: 0.7133891324858912
Energy: 1.0873638274473323
Energy: 0.7133891324858912
Energy: 0.5749850605288183
Energy: 1.087363827446791
Energy: 0.7133891324858912
Energy: 0.5749849430230237
Energy: 0.7133891324853497
Energy: 1.0873638274473323
Energy: 0.7133891324869739
Energy: 0.5749844059941894
Energy: 1.0873638274494977
Energy: 0.7133891324869739
Energy: 0.574983348033151
Energy: 0.7133891324864324
Energy: 1.0873638274478739
Energy: 0.713389132484267
Energy: 0.5749851197665438
Energy: 1.087363827448415
Energy: 0.7133891324864324
Energy: 0.5749849250984077
Energy: 0.7133891324864324
Energy: 1.0873638274473323
Energy: 0.7133891324864324
Energy: 0.5749847724311766
Energy: 1.087363827446791
Energy: 0.7133891324858912
Energy: 0.574984819660558
Energy: 0.7133891324853497
Energy: 1.0873638274473323
Energy: 0.7133891324864324
Energy: 0.5749843023978107
Energy: 1.0873638274505804
Energy: 0.7133891324869739
Energy: 0.5749851194007695
Energy: 0.7133891324869739
Energy: 1.0873638274478739
Energy: 0.7133891324848084
Energy: 0.5749843544465348
Energy: 1.0873638274478739
Energy: 0.7133891324875153
Energy: 0.5749829842439429
Energy: 0.7133891324858912
Energy: 1.087363827446791
Energy: 0.7133891324864324
Energy: 0.5749850290952581

minimum gb energy = 0.2521037386546399 eV
minimum distance =  2.78098666347825 Angstroms
sigma value = 23