Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645777106285
cohesive_energy=4.290547094651004
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.014950823580275567
Energy: 0.01542128772093356
Energy: 0.015241298149250583
Energy: 1.9340111035807594
Energy: 0.015241297849238212
Energy: 0.015421288138846264
Energy: 0.014950823580039978
Energy: 0.015421288630891684
Energy: 0.015241298150637954
Energy: 1.5265250869530902
Energy: 0.6970711731305428
Energy: 0.015702442081614115
Energy: 0.01712860658363811
Energy: 0.6927408994408126
Energy: 0.01712860658363811
Energy: 0.0156983012495523
Energy: 0.6970711731305428
Energy: 0.01570425971011569
Energy: 0.017128606584109293
Energy: 0.6927408994408126
Energy: 0.014950823580039978
Energy: 0.015421300453724576
Energy: 0.015241297959049912
Energy: 1.9340111035809948
Energy: 0.015241298000042789
Energy: 0.015421296576259033
Energy: 0.014950823579804385
Energy: 0.015421297348527159
Energy: 0.015241297924287115
Energy: 1.5265250869528544
Energy: 0.6970711731305428
Energy: 0.015697832888147602
Energy: 0.017128606584109293
Energy: 0.6927408994408126
Energy: 0.017128606584344883
Energy: 0.015697572382884422
Energy: 0.6970711731307784
Energy: 0.01569759654868334
Energy: 0.017128606583873704
Energy: 0.6927408994403677
Energy: 0.014950823580039978
Energy: 0.015421312271269753
Energy: 0.015241298213724054
Energy: 1.9340111035807594
Energy: 0.015241298022371605
Energy: 0.015421288073692195
Energy: 0.014950823580275567
Energy: 0.015421294694853465
Energy: 0.015241298127602363
Energy: 1.5265250869528544
Energy: 0.6970711731305428
Energy: 0.01569863436508661
Energy: 0.017128606584109293
Energy: 0.6927408994408126
Energy: 0.01712860658363811
Energy: 0.015701915581157154
Energy: 0.6970711731305428
Energy: 0.01569817496004985
Energy: 0.01712860658478989
Energy: 0.6927408994408126
Energy: 0.014950823580039978
Energy: 0.01542128937161676
Energy: 0.015241297939705252
Energy: 2.0169415655405554
Energy: 0.015241297881226268
Energy: 0.015421288271012959
Energy: 0.014950823579804385
Energy: 0.0154212954429604
Energy: 0.015241297842091942
Energy: 1.5265250869528544

minimum gb energy = 0.014950823579804385 eV
minimum distance =  2.33496886033917 Angstroms
sigma value = 3


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

Energy: 1.408814260789279
Energy: 1.2308031951984981
Energy: 1.281060658228424
Energy: 1.358513254493786
Energy: 1.2762926095416949
Energy: 1.264289875145379
Energy: 1.4088142607898435
Energy: 1.2308031951984981
Energy: 1.2810606582301167
Energy: 1.358513254493786
Energy: 1.3234007754807853
Energy: 1.2803981688429351
Energy: 1.3110760281812446
Energy: 1.2999579235908412
Energy: 1.2813968713948511
Energy: 1.2680404335928643
Energy: 1.3234007754790926
Energy: 1.2803981688440635
Energy: 1.3110760281806804
Energy: 1.2999579235891483
Energy: 1.3146212233672063
Energy: 1.214693148957215
Energy: 1.2363960894864965
Energy: 1.224320269603822
Energy: 1.2392683594241762
Energy: 1.205288367548529
Energy: 1.314621223366642
Energy: 1.214693148957215
Energy: 1.236396089487625
Energy: 1.2243202696055149
Energy: 1.2468880624932628
Energy: 1.1965129876946963
Energy: 1.20441701721154
Energy: 1.2133367092148424
Energy: 1.2384572821845605
Energy: 1.2255625814804874
Energy: 1.2468880624926983
Energy: 1.1965129876980816
Energy: 1.2044170172098474
Energy: 1.213336709215971
Energy: 1.2584595615289496
Energy: 1.2232369180114697
Energy: 1.2476341081090838
Energy: 1.2137223870038958
Energy: 1.198969563318701
Energy: 1.22726759867026
Energy: 1.2584595615289496
Energy: 1.2232369180109053
Energy: 1.2476341081113407
Energy: 1.2137223870016385
Energy: 1.2449076654034223
Energy: 1.2619946772812054
Energy: 1.2227186652544109
Energy: 1.2677022482771572
Energy: 1.2386467806268302
Energy: 1.2696109454471582
Energy: 1.2449076654011655
Energy: 1.2619946772817696
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Energy: 1.2677022482765927
Energy: 1.2364574522938063
Energy: 1.2042480805945452
Energy: 1.3308193289517474
Energy: 1.2656543443165618
Energy: 1.211085769133524
Energy: 1.2382073535034543
Energy: 1.2364574522921137
Energy: 1.2042480805939813
Energy: 1.330819328950619
Energy: 1.2656543443143045
Energy: 1.290641887330308
Energy: 1.3142177531193393
Energy: 1.2806981195213119
Energy: 1.2265565626977848
Energy: 1.2688725033791413
Energy: 1.3290355149736433
Energy: 1.290641887330308
Energy: 1.3142177531204677
Energy: 1.280698119523569
Energy: 1.2265565626977848
Energy: 1.2802561873282838
Energy: 1.3113578116141655
Energy: 1.2564000751117028
Energy: 1.3167443037598165
Energy: 1.2682911989510004
Energy: 1.296662100087083
Energy: 1.2802561873294123
Energy: 1.3113578116164226
Energy: 1.2564000751105742
Energy: 1.3167443037564308
Energy: 1.228330290087027
Energy: 1.2674189599917733
Energy: 1.353376717685593
Energy: 1.3140001296312007
Energy: 1.2837510012830817
Energy: 1.3805480943901252
Energy: 1.2283302900820001
Energy: 1.2674189599917733
Energy: 1.3533767176878504
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Energy: 1.2017409647539303
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Energy: 1.265557295684164
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Energy: 1.2497083925286285
Energy: 1.2116919416718768
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Energy: 1.208182290541881
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Energy: 1.2212455107372215
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Energy: 1.2081822905447022
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Energy: 1.2139729380260509
Energy: 1.2131964495823344
Energy: 1.2237425109638829
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Energy: 1.2081652242013223
Energy: 1.237279978036901
Energy: 1.2674577778925094
Energy: 1.213196449581206
Energy: 1.2237425109633182
Energy: 1.2394912806117138
Energy: 1.2081652242041436
Energy: 1.2430660940350748
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Energy: 1.2318348823746648
Energy: 1.2376300384567742
Energy: 1.2843042908561315
Energy: 1.2365007607303402
Energy: 1.2430660940350748
Energy: 1.2113361148295068
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Energy: 1.2376300384567742
Energy: 1.2638959713730373
Energy: 1.29975147093562
Energy: 1.2813860908707528
Energy: 1.2025776949736176
Energy: 1.2933607893257404
Energy: 1.2140646654288203
Energy: 1.2638959713724731
Energy: 1.2997514709333629
Energy: 1.2813860908690602
Energy: 1.2025776949736176
Energy: 1.2949372487815902
Energy: 1.259985105177741
Energy: 1.2711935118926836
Energy: 1.2233515365984506
Energy: 1.380654125824378
Energy: 1.2338223608187202
Energy: 1.2949372487844117
Energy: 1.2599851051771769
Energy: 1.2711935118949402
Energy: 1.2596804847616037
Energy: 1.3411132300139064
Energy: 1.2659934316399548
Energy: 1.3168095152933545
Energy: 1.2278891493649673
Energy: 1.310522485092543
Energy: 1.2840226855626828
Energy: 1.341113230014471
Energy: 1.2659934316427763
Energy: 1.31680951529674
Energy: 1.227889149363839
Energy: 1.2408659548214767
Energy: 1.2464321418432553
Energy: 1.276446940873273
Energy: 1.2684538249626083
Energy: 1.3287320691675177
Energy: 1.2683651155899796
Energy: 1.2408659548220409
Energy: 1.246432141842691
Energy: 1.2764469408704517
Energy: 1.268453824966558
Energy: 1.2643141778723306
Energy: 1.272052514840784
Energy: 1.2664389117261092
Energy: 1.2374879702541814
Energy: 1.2467790668393994
Energy: 1.2120614145767867
Energy: 1.2643141778728948
Energy: 1.2720525148396553
Energy: 1.2664389117266737
Energy: 1.2374879702519246
Energy: 1.2603884781370198
Energy: 1.2226680101259058
Energy: 1.2213903653324978
Energy: 1.2476306254168863
Energy: 1.280110979739101
Energy: 1.211914658875911
Energy: 1.260388478137584
Energy: 1.222668010128163
Energy: 1.2213903653308051
Energy: 1.2322090953174314
Energy: 1.2129853388336653
Energy: 1.2577279931704541
Energy: 1.2234697358814355
Energy: 1.2108984855750284
Energy: 1.227738890316644
Energy: 1.1992099558871183
Energy: 1.2129853388325367
Energy: 1.2577279931715826
Energy: 1.223469735879743
Energy: 1.2108984855739
Energy: 1.265127569767644
Energy: 1.2603322610888401
Energy: 1.1966174784530519
Energy: 1.2253492630102276
Energy: 1.226306623478715
Energy: 1.2017571808891008
Energy: 1.2651275697682085
Energy: 1.2603322610888401
Energy: 1.1966174784547445
Energy: 1.2253492630107918
Energy: 1.2865727664108577
Energy: 1.2291763390258819
Energy: 1.2054855331823433
Energy: 1.314692593402742
Energy: 1.2137722893752854
Energy: 1.2747013227428825
Energy: 1.2865727664074724
Energy: 1.2291763390224961
Energy: 1.2055130986423572
Energy: 1.3146925934049989
Energy: 1.2997806813980133
Energy: 1.31644140529143
Energy: 1.2284802032017543
Energy: 1.280692693770739
Energy: 1.2052955211925553
Energy: 1.27696575598565
Energy: 1.2997806813957564
Energy: 1.316441405293687
Energy: 1.2284802032000617
Energy: 1.2806926937729963
Energy: 1.3586684371994253
Energy: 1.2763130487145824
Energy: 1.2165081133015982
Energy: 1.3729835440858675
Energy: 1.2308031951984981
Energy: 1.2810606582312452
Energy: 1.358668437198297
Energy: 1.2763130487151464
Energy: 1.2165081133010338
Energy: 1.3729835440858675
Energy: 1.2999579235908412
Energy: 1.28139687139203
Energy: 1.2680404335911717
Energy: 1.3234007754790926
Energy: 1.2803981688418065
Energy: 1.3110760281575975
Energy: 1.2999579235880196
Energy: 1.2813968713942872
Energy: 1.268040433593429
Energy: 1.3234007754790926
Energy: 1.2865727664102935
Energy: 1.2392683594264333
Energy: 1.265006489443687
Energy: 1.3146212233688992
Energy: 1.2146931489583435
Energy: 1.2363960894881891
Energy: 1.286572766409165
Energy: 1.2392683594264333
Energy: 1.2052883675502222
Energy: 1.3146212233683352
Energy: 1.213336709215971
Energy: 1.2384572821873818
Energy: 1.226121661956006
Energy: 1.2468880624932628
Energy: 1.1965129876969531
Energy: 1.2044170172087187
Energy: 1.2133367092148424
Energy: 1.238457282185689
Energy: 1.226121661956006
Energy: 1.2468880624932628

minimum gb energy = 1.1965129876946963 eV
minimum distance =  2.2673595902191 Angstroms
sigma value = 75


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

Energy: 1.4400458935217268
Energy: 1.2547906771609927
Energy: 1.312013401556589
Energy: 1.2990508163728438
Energy: 1.2455329510247402
Energy: 1.297740753043036
Energy: 1.4400458935233793
Energy: 1.2547906771615431
Energy: 1.3120134015557632
Energy: 1.2990508156848244
Energy: 1.218205594338374
Energy: 1.2393781121190948
Energy: 1.222352659223489
Energy: 1.283649377174113
Energy: 1.198562882532194
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Energy: 1.23968002098798
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Energy: 1.3194108988646358
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Energy: 1.2305260035043442
Energy: 1.2386395603749074
Energy: 1.3194108988638098
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Energy: 1.2738821173074653
Energy: 1.249603845828748
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Energy: 1.2301679154474843
Energy: 1.1989741415231026
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Energy: 1.1985880958090973
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Energy: 1.2386688700604718
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Energy: 1.2953557677298577
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Energy: 1.2931551662686411
Energy: 1.2810495754336992
Energy: 1.383820621792709
Energy: 1.3859586724895658
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Energy: 1.2530221050154473
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Energy: 1.290621052897337
Energy: 1.4506583828039705
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Energy: 1.377005860535872
Energy: 1.19933132528235
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minimum gb energy = 1.1848411689737137 eV
minimum distance =  2.21831279401554 Angstroms
sigma value = 105


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

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Energy: 1.155964636933356
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Energy: 1.4675010759761407
Energy: 1.1258464622360955
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Energy: 1.2783239029826745
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Energy: 1.255752166452936
Energy: 1.2659086842393854
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Energy: 1.288652938549026
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Energy: 1.4496569216221897
Energy: 1.242643315695494
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Energy: 1.2659104275038682
Energy: 1.2623795184390445
Energy: 1.1697594748176545
Energy: 1.4496569216215685
Energy: 1.2426433156942513
Energy: 1.2896150936322575
Energy: 1.2506516808329327
Energy: 1.2358609093234387
Energy: 1.240560761293983
Energy: 1.3298638116969297
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Energy: 1.2896150936328785
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Energy: 1.2358609093237494
Energy: 1.2405607612949152
Energy: 1.3267779167824012
Energy: 1.278531734135756
Energy: 1.4259546606760825
Energy: 1.3313968900113133
Energy: 1.240348522379746
Energy: 1.2733663146170136
Energy: 1.3267779167836438
Energy: 1.2785317341348241
Energy: 1.4259546606767037
Energy: 1.3313968900103814
Energy: 1.3162875751624792
Energy: 1.090812142532531
Energy: 1.3303242368602748
Energy: 1.1421412052044202
Energy: 1.3192486181000607
Energy: 1.1186879855702014
Energy: 1.3162875751631005
Energy: 1.0908121425371902
Energy: 1.330324236860896
Energy: 1.1421412052047308
Energy: 1.0656135551280086
Energy: 1.09056819994217
Energy: 1.1728764198280905
Energy: 1.242610066598833
Energy: 1.4496585930395884
Energy: 1.1095423998508867
Energy: 1.0656135551283192
Energy: 1.0905681999443446
Energy: 1.17287641982778
Energy: 1.24261006659728
Energy: 1.2631830107270416
Energy: 1.2076160829475149
Energy: 1.1088197285575774
Energy: 1.1727268505002255
Energy: 1.2652524871459903
Energy: 1.2626611592871753
Energy: 1.2631830107254884
Energy: 1.2076160829484466
Energy: 1.108819728556335
Energy: 1.1727268504999153
Energy: 1.2733145324790498
Energy: 1.3503099208233478
Energy: 1.215660695605564
Energy: 1.3310613398033844
Energy: 1.1874128428553141
Energy: 1.3295399049208367
Energy: 1.273314532480603
Energy: 1.3503099208236582
Energy: 1.2156606956071168
Energy: 1.3310613398021423

minimum gb energy = 1.0656135551280086 eV
minimum distance =  2.24711380823964 Angstroms
sigma value = 165


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

Energy: 1.2798034394701814
Energy: 1.3551086422924772
Energy: 1.1980561113066428
Energy: 1.2586860790205496
Energy: 1.1978430438048258
Energy: 1.3551463874171887
Energy: 1.2798034394701814
Energy: 1.3551086422924772
Energy: 1.1980561113077093
Energy: 1.2586860788745093
Energy: 1.1895937270166907
Energy: 1.2180259228447554
Energy: 1.1969696147626394
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Energy: 1.2149203744900423
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Energy: 1.218025922843689
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Energy: 1.2134244429838241
Energy: 1.2144432406726127
Energy: 1.3745214411688316
Energy: 1.279451104510956
Energy: 1.223991511501209
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Energy: 1.2146914956293677
Energy: 1.184565454578428
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Energy: 1.1970325228287544
Energy: 1.2522066667391827
Energy: 1.2240814037761583
Energy: 1.2146914956283015
Energy: 1.184565454578428
Energy: 1.2139009152569888
Energy: 1.2226925874746966
Energy: 1.1964425391347695
Energy: 1.189271934644401
Energy: 1.2089291587102566
Energy: 1.1970017612155137
Energy: 1.1864323670678927
Energy: 1.2226925874746966
Energy: 1.1964425391358355
Energy: 1.1892719346454672
Energy: 1.2089291587091902
Energy: 1.1881166071768323
Energy: 1.1968736057726743
Energy: 1.2558811356941932
Energy: 1.3741830314662165
Energy: 1.2157044916475006
Energy: 1.2156366672734342
Energy: 1.1881166071757658
Energy: 1.196873605771608
Energy: 1.2558811356931268
Energy: 1.3741830314662165
Energy: 1.214487298176965
Energy: 1.2095414272656368
Energy: 1.212357236559042
Energy: 1.215173921115888
Energy: 1.1848484532184844
Energy: 1.2144309453834856
Energy: 1.2144872981790977
Energy: 1.2095414272656368
Energy: 1.2123572365601085
Energy: 1.215173921115888
Energy: 1.223959300772282
Energy: 1.2794511045098895
Energy: 1.374515041973218
Energy: 1.2144529969009665
Energy: 1.279343581260704
Energy: 1.2163242918524728
Energy: 1.223959300772282
Energy: 1.2794511045098895
Energy: 1.374515041973218
Energy: 1.214452996902033
Energy: 1.2135623182719133
Energy: 1.1969887008171383
Energy: 1.218052542806337
Energy: 1.1897475410390366
Energy: 1.214920453316264
Energy: 1.1848319412502175
Energy: 1.2135623182708468
Energy: 1.1969887008171383
Energy: 1.218052542806337
Energy: 1.1897475410390366
Energy: 1.2778441130825222
Energy: 1.1978430438048258
Energy: 1.3551463874171887
Energy: 1.2798034394712476
Energy: 1.3551086422924772
Energy: 1.1980561113077093
Energy: 1.2778441131038492
Energy: 1.1978430438058922
Energy: 1.3551463874171887
Energy: 1.2798034394712476

minimum gb energy = 1.1845513099671763 eV
minimum distance =  2.27974336132012 Angstroms
sigma value = 41


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

Energy: 1.2503962843114658
Energy: 1.2012715273132297
Energy: 1.1202874623230281
Energy: 1.2741381250677373
Energy: 1.1319058060004956
Energy: 1.1491331333241894
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Energy: 1.2012715276213093
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Energy: 1.312120239818663
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Energy: 1.1204707056632763
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Energy: 1.12047070566369
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Energy: 1.1364888854348099
Energy: 1.1361522160800652
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Energy: 1.1299935935342365
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Energy: 1.1299935935284444
Energy: 1.226618581595789
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Energy: 1.126831781435157
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Energy: 1.1215135234509148
Energy: 1.226618581599099
Energy: 1.1422823018411596
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Energy: 1.1268317814363982
Energy: 1.1456019605055077
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Energy: 1.1943738355937674
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Energy: 1.1216324487912936
Energy: 1.1456019605042669
Energy: 1.1402134610647412
Energy: 1.1943738355954225
Energy: 1.1316383598557163
Energy: 1.1874130832670313
Energy: 1.2410638962801126
Energy: 1.2695279583063044
Energy: 1.119991611331365
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Energy: 1.2695279583058907
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Energy: 1.3118895066212213
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Energy: 1.1216143177448545
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Energy: 1.312570220853182
Energy: 1.1213985330066225
Energy: 1.1386389185944998
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Energy: 1.121398533009105
Energy: 1.1386389185911898
Energy: 1.1371412607289908
Energy: 1.136180303950101
Energy: 1.1888821956143125
Energy: 1.1584140054173675
Energy: 1.1379220884949734
Energy: 1.209111765839209
Energy: 1.1371412607294045
Energy: 1.1361803039488598
Energy: 1.1888821956180362
Energy: 1.158414005410748
Energy: 1.2000170937586019
Energy: 1.2391232434667103
Energy: 1.1883692216440436
Energy: 1.1268589842250036
Energy: 1.1418077760104806
Energy: 1.1202866432835092
Energy: 1.2000170938061812
Energy: 1.2391232434642274
Energy: 1.1883692216461124
Energy: 1.1268589842241763
Energy: 1.133901273566832
Energy: 1.1688854344265465
Energy: 1.3617813123007436
Energy: 1.1219094737249447
Energy: 1.3099876565500799
Energy: 1.1265047354008115
Energy: 1.133901273570142
Energy: 1.1688854344182715
Energy: 1.3617813122990885
Energy: 1.1219094737257722
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Energy: 1.2393975430564317
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Energy: 1.2393975430543631
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Energy: 1.121011005333887
Energy: 1.2323433974005265
Energy: 1.1359926321147982
Energy: 1.1362897124473532
Energy: 1.2317439169180942
Energy: 1.130003254896598
Energy: 1.1375387339904848
Energy: 1.2323433973980442
Energy: 1.1359926321131433
Energy: 1.1362897124465257
Energy: 1.2317439169156117
Energy: 1.1213481143973554
Energy: 1.1449857654776512
Energy: 1.2213779665884457
Energy: 1.1393898346501503
Energy: 1.126518174254436
Energy: 1.2424992184443078
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Energy: 1.1449857654607258
Energy: 1.221377966588032
Energy: 1.1393898346518052
Energy: 1.12204905193727
Energy: 1.143354456004742
Energy: 1.1426005547353204
Energy: 1.1874397624659194
Energy: 1.1206332390875724
Energy: 1.283782784889295
Energy: 1.122049051932719
Energy: 1.143354456077935
Energy: 1.1426005547394575
Energy: 1.187439762465506
Energy: 1.127397307702493
Energy: 1.1717983410388932
Energy: 1.2206502222086935
Energy: 1.1845454282153671
Energy: 1.120150785199567
Energy: 1.141127710046381
Energy: 1.127397307704148
Energy: 1.171798341040962
Energy: 1.2206502222095208
Energy: 1.1845454282149535
Energy: 1.1578150389871662
Energy: 1.2399782967942528
Energy: 1.1365975433342848
Energy: 1.136380881448561
Energy: 1.2312336140057578
Energy: 1.129809411453552
Energy: 1.1578150389875796
Energy: 1.2399782967913564
Energy: 1.1365975433346984
Energy: 1.1363808814481475
Energy: 1.16452430593401
Energy: 1.1222590419519347
Energy: 1.1371179736255694
Energy: 1.137387445593334
Energy: 1.1444016983141096
Energy: 1.1269447981560035
Energy: 1.1645243059319412
Energy: 1.1222590419519347
Energy: 1.1371179736259829
Energy: 1.1373874455929203
Energy: 1.1367332737957825
Energy: 1.1210374781475327
Energy: 1.228914082469298
Energy: 1.1516425432001767
Energy: 1.2331005205482697
Energy: 1.2514605762417477
Energy: 1.1367332737966098
Energy: 1.1210374781475327
Energy: 1.2289140824688844
Energy: 1.1516425432001767
Energy: 1.1434015692247577
Energy: 1.12864169963856
Energy: 1.182954981662681
Energy: 1.222397383694255
Energy: 1.1395068511481772
Energy: 1.119772293167511
Energy: 1.143401569225999
Energy: 1.1286416996426971
Energy: 1.1829549816651632
Energy: 1.2223973836950823

minimum gb energy = 1.1172187154652877 eV
minimum distance =  2.23833136053081 Angstroms
sigma value = 185


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

Energy: 1.2011642652026402
Energy: 1.1923859573575053
Energy: 1.3687767799190158
Energy: 1.3819047584594613
Energy: 1.3690774415585767
Energy: 1.1937033422926835
Energy: 1.201164265201658
Energy: 1.1923859573579965
Energy: 1.368776779920489
Energy: 1.5153170584440119
Energy: 1.3854816879697238
Energy: 1.272591017407233
Energy: 1.1670006331573568
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Energy: 1.3696965750092738
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Energy: 1.369696575010747
Energy: 1.37867854177292
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Energy: 1.156357470818071
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Energy: 1.1227604571980119
Energy: 1.1563574708190532
Energy: 1.1670547700641425
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Energy: 1.4236640213861722
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Energy: 1.3691720466690263
Energy: 1.3367062414620188
Energy: 1.20514151260629
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Energy: 1.2804260660641817
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Energy: 1.1881420342042537
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Energy: 1.2239688443795154
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Energy: 1.219468187205795
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Energy: 1.4629939663110199
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Energy: 1.1560642498469935
Energy: 1.1791384372594256
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Energy: 1.4629939663076266
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Energy: 1.1883950185696321
Energy: 1.1648120263256367
Energy: 1.1646052414657604
Energy: 1.1872660366793133
Energy: 1.369040649913739
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Energy: 1.1648120263261281
Energy: 1.1907045740136502
Energy: 1.1669755347700033
Energy: 1.310204376494874
Energy: 1.418717844986018
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Energy: 1.187932909666385
Energy: 1.1907045740136502
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Energy: 1.3102043764934006
Energy: 1.418717844986018
Energy: 1.4671140816106891
Energy: 1.368881980640555
Energy: 1.1777172747950526
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Energy: 1.1588226221475866
Energy: 1.368776779920489
Energy: 1.5096944777465326
Energy: 1.3688819806425194
Energy: 1.1588358370620568
Energy: 1.3839662088088003
Energy: 1.1904745840727946
Energy: 1.1870284028864064
Energy: 1.2672312168717645
Energy: 1.4187354707937148
Energy: 1.2725910174077242
Energy: 1.1670006331568656
Energy: 1.1904745840742679
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Energy: 1.4187354707937148
Energy: 1.3690220208866555
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Energy: 1.1871184050508143
Energy: 1.401000242015394
Energy: 1.369022020884691
Energy: 1.1876777137378014
Energy: 1.1647167549349853
Energy: 1.163306334478535
Energy: 1.1791346524149775
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Energy: 1.1911023459744123
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Energy: 1.1874733457954505
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Energy: 1.1911023459749035
Energy: 1.3843075814058343
Energy: 1.4236640213861722
Energy: 1.4174942855770196
Energy: 1.140262346967929
Energy: 1.156357470818071
Energy: 1.1670547700646337
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Energy: 1.4174942855780022
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Energy: 1.2051415126048166
Energy: 1.1882516032932156
Energy: 1.303060802074956
Energy: 1.1854280154249628
Energy: 1.3691720466690263
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Energy: 1.2051415126038345
Energy: 1.1882516032917423
Energy: 1.3030608020739736
Energy: 1.2804260660631996
Energy: 1.1881420342042537
Energy: 1.3708917318841456
Energy: 1.1922595714193855
Energy: 1.2051411815181796
Energy: 1.3369833982490955
Energy: 1.368898469838954
Energy: 1.1881420342062183
Energy: 1.370891731885128
Energy: 1.1922595714223323
Energy: 1.2051411815186706
Energy: 1.2957827425885218
Energy: 1.122958866620461
Energy: 1.4183560524324776
Energy: 1.4188395687124529
Energy: 1.1940630097608846
Energy: 1.1671768556931454
Energy: 1.295782742589995
Energy: 1.1229588666180055
Energy: 1.418356052431495
Energy: 1.4188395687104884
Energy: 1.4566782834705785
Energy: 1.123123746544854
Energy: 1.15606424984552
Energy: 1.179138437260899
Energy: 1.2194681872067776
Energy: 1.1872742977178312
Energy: 1.456678283471561
Energy: 1.1231237465468185
Energy: 1.156064249844538
Energy: 1.17913843726139
Energy: 1.1900614450123326
Energy: 1.1646052414671888
Energy: 1.187033689652078
Energy: 1.3690406499142302
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Energy: 1.188395018570123
Energy: 1.190061445013315
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Energy: 1.3745852923237583
Energy: 1.2827494145212646
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Energy: 1.368776779920489
Energy: 1.5153170584435207
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Energy: 1.272591017406742
Energy: 1.1670006331573568
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Energy: 1.2827494145212646
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Energy: 1.2725910174077242
Energy: 1.1670006331563745
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Energy: 1.1633063344795174
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Energy: 1.3696965750102559
Energy: 1.378678541773902
Energy: 1.187324619233774
Energy: 1.1906425850763718
Energy: 1.1789067512670914
Energy: 1.2280228725913442
Energy: 1.1229879135368022
Energy: 1.3786785417719374
Energy: 1.1873246192323008
Energy: 1.1906425850768627
Energy: 1.1789067512680738
Energy: 1.1563574708170887
Energy: 1.167054770066107
Energy: 1.2207360080230698
Energy: 1.4236640213866634
Energy: 1.4180348149692572
Energy: 1.1227604571980119
Energy: 1.1563574708200353
Energy: 1.1670547700646337
Energy: 1.2207360080220875
Energy: 1.4236640213861722
Energy: 1.2804260660627085
Energy: 1.3691720466690263
Energy: 1.3241648439782727
Energy: 1.2051415126048166
Energy: 1.1651354688113207
Energy: 1.371038949135602
Energy: 1.2804260660641817
Energy: 1.369172046668535
Energy: 1.336706241459563
Energy: 1.2051415126048166
Energy: 1.2052861879569075
Energy: 1.406265909464142
Energy: 1.3687538694285342
Energy: 1.1881420342057272
Energy: 1.3107407228929093
Energy: 1.1922595714203679
Energy: 1.2052861879559253
Energy: 1.4105986371409704
Energy: 1.3687538694295163
Energy: 1.188142034205236
Energy: 1.4188395687124529
Energy: 1.2239688443795154
Energy: 1.166692273156424
Energy: 1.2227737764276194
Energy: 1.164662894890232
Energy: 1.4376481957247018
Energy: 1.4188395687114708
Energy: 1.2239688443790242
Energy: 1.1666922731574063
Energy: 1.2227737764271283
Energy: 1.179138437260899
Energy: 1.2194681872062865
Energy: 1.1872742977188133
Energy: 1.4629939663124931
Energy: 1.1913979299776862
Energy: 1.156064249848958
Energy: 1.1791384372599165
Energy: 1.2194681872062865
Energy: 1.1872742977178312
Energy: 1.4629939663090998
Energy: 1.3690406499147214
Energy: 1.401000242014903
Energy: 1.188395018569141
Energy: 1.1648120263261281
Energy: 1.1646052414662513
Energy: 1.1872660366783312
Energy: 1.369040649912757
Energy: 1.4010002420158851
Energy: 1.188395018570123
Energy: 1.1648120263261281
Energy: 1.1907045740141413
Energy: 1.1669755347690207
Energy: 1.3102043764938918
Energy: 1.4187178449855269
Energy: 1.2672312168727469
Energy: 1.1879329096673672
Energy: 1.1907045740136502
Energy: 1.1669755347695119
Energy: 1.3102043764953653
Energy: 1.4187178449865092

minimum gb energy = 1.1227604571980119 eV
minimum distance =  2.22856901114915 Angstroms
sigma value = 33


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

Energy: 1.2218959825306472
Energy: 1.257231538703
Energy: 1.3017401422497252
Energy: 1.3908920450927482
Energy: 1.2305979837538148
Energy: 1.2572616400984895
Energy: 1.22189598252876
Energy: 1.257231538704348
Energy: 1.3017401422494557
Energy: 1.3908920450916697
Energy: 1.3190214399979683
Energy: 1.263727688720507
Energy: 1.1536393396547224
Energy: 1.2133164753529664
Energy: 1.2111841642879375
Energy: 1.276166236202267
Energy: 1.3190214399944633
Energy: 1.2637276887202373
Energy: 1.1536393396555313
Energy: 1.2133164753529664
Energy: 1.224314788214411
Energy: 1.189668227541899
Energy: 1.2100137825068855
Energy: 1.299765584435965
Energy: 1.2112939965539413
Energy: 1.1919141153888801
Energy: 1.2243147882138719
Energy: 1.189668227541629
Energy: 1.2100137825076946
Energy: 1.299765584436774
Energy: 1.1866796781121571
Energy: 1.190326693465733
Energy: 1.1917946325548554
Energy: 1.1686949836779044
Energy: 1.26885269575338
Energy: 1.32742626692719
Energy: 1.186679678110809
Energy: 1.1903266934654635
Energy: 1.1917946325570123
Energy: 1.1686949836765563
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Energy: 1.1899301034909264
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Energy: 1.2153329644384185
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Energy: 1.189930103492544
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Energy: 1.3156907762095638
Energy: 1.1900618116855555
Energy: 1.2326797936761251
Energy: 1.2055592354793156
Energy: 1.2115151280705891
Energy: 1.3098516206730335
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Energy: 1.191817074942791
Energy: 1.3562943687312399
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Energy: 1.189156308855602
Energy: 1.2999346432708483
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Energy: 1.2782773897546154
Energy: 1.3229392105805473
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Energy: 1.322939210581626
Energy: 1.1905612642857457
Energy: 1.2477375863166191
Energy: 1.1708928636172222
Energy: 1.1920167021891366
Energy: 1.1895363311998937
Energy: 1.1973540807533436
Energy: 1.3097900960700433
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Energy: 1.1708928636180311
Energy: 1.1920167021896757
Energy: 1.1895363311985456
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Energy: 1.315745075473085
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Energy: 1.2570254225546278
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Energy: 1.315745075473085
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Energy: 1.2072921632801346
Energy: 1.1522340435142864
Energy: 1.3302951778326968
Energy: 1.3560705715606398
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Energy: 1.2072921632795952
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Energy: 1.2059309735575106
Energy: 1.2589095904843643
Energy: 1.243434617656489
Energy: 1.2490227447848574
Energy: 1.3035515167320122
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Energy: 1.205930973555893
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Energy: 1.15326462437105
Energy: 1.2361565933679108
Energy: 1.2112583147698686
Energy: 1.2042007043092327
Energy: 1.1293119806402414
Energy: 1.1884088589604038
Energy: 1.153264624371859
Energy: 1.2361565933665628
Energy: 1.2112583147709468
Energy: 1.204200704308963
Energy: 1.2625644878907774
Energy: 1.3094560440330894
Energy: 1.211052845655627
Energy: 1.1924935845620648
Energy: 1.1794356081013087
Energy: 1.1893165834594548
Energy: 1.2625644878923952
Energy: 1.3094560440336287
Energy: 1.2110528456572447
Energy: 1.1924935845626041
Energy: 1.1916653752458848
Energy: 1.1947160447919387
Energy: 1.2885409183426961
Energy: 1.2790424479055533
Energy: 1.307673065739661
Energy: 1.190884519206232
Energy: 1.1916653752475026
Energy: 1.1947160447927474
Energy: 1.288540918339461
Energy: 1.2790424479047446
Energy: 1.226873198412043
Energy: 1.3239609378935606
Energy: 1.2462450610214264
Energy: 1.1675595348830117
Energy: 1.2381507377748469
Energy: 1.189320625543251
Energy: 1.2268731984093468
Energy: 1.3239609378941
Energy: 1.246245061019539
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Energy: 1.183240976956053
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Energy: 1.2337392993393892
Energy: 1.2742258728373197
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Energy: 1.183240976957401
Energy: 1.1917710383731386
Energy: 1.281671474228115
Energy: 1.2397507474204574
Energy: 1.1351611947114317
Energy: 1.1917022015266383
Energy: 1.2268542170326031
Energy: 1.240049247154891
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Energy: 1.1351611947127798
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Energy: 1.3303998906615295
Energy: 1.1920127055839178
Energy: 1.170898761096762
Energy: 1.2895286371846868
Energy: 1.1687128114163345

minimum gb energy = 1.1293119806402414 eV
minimum distance =  2.26225004105491 Angstroms
sigma value = 219


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

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Energy: 1.1516054634605848
Energy: 1.1334140332257558
Energy: 1.2282556087742622
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Energy: 1.121781446958526
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Energy: 1.088424617653504
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Energy: 1.1200491987882089
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Energy: 1.1336308766081098
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Energy: 1.1520179857513237
Energy: 1.1336308766081098
Energy: 1.1333314516788704
Energy: 1.1334237942019814
Energy: 1.3432350216002114

minimum gb energy = 1.0883742758932968 eV
minimum distance =  2.33987306967395 Angstroms
sigma value = 15


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

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minimum gb energy = 1.2962946167101925 eV
minimum distance =  2.25898426064672 Angstroms
sigma value = 293


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

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Energy: 1.3887614379770974
Energy: 1.3587571294538507
Energy: 1.3869214961112226
Energy: 1.3587162713514649
Energy: 1.3891466497018488
Energy: 1.3565790991838695
Energy: 1.3887614379770974
Energy: 1.3587571294538507
Energy: 1.3869214961164622
Energy: 1.2960795186660263
Energy: 1.5344572707800834
Energy: 1.3576498698443011
Energy: 1.3516430527860173
Energy: 1.3626817028986717
Energy: 1.446708589349466
Energy: 1.2960795186664291
Energy: 1.5344572707792774
Energy: 1.3576498698443011
Energy: 1.351643052785211
Energy: 1.391128628700388
Energy: 1.2956602568628752
Energy: 1.3743471717053235
Energy: 1.3688377946140482
Energy: 1.3862327642331977
Energy: 1.3085222264339695
Energy: 1.3911286286999849
Energy: 1.2956602568640845
Energy: 1.3743471717057267
Energy: 1.3688377946128392
Energy: 1.4090349712412205
Energy: 1.2956649163325764
Energy: 1.3356423940420998
Energy: 1.3176284076372233
Energy: 1.3138475169336175
Energy: 1.3963618078830617
Energy: 1.4090349712408177
Energy: 1.2956649163325764
Energy: 1.3356423940420998
Energy: 1.3176284076364175
Energy: 1.329751227212134
Energy: 1.4681967391156059
Energy: 1.3706446689682927
Energy: 1.2985402820145535
Energy: 1.5499292222719632
Energy: 1.3250501129205734
Energy: 1.3297512272137462
Energy: 1.4681967391160091
Energy: 1.370644668969502
Energy: 1.2985402820145535
Energy: 1.3294113484021635
Energy: 1.3306085737887663
Energy: 1.3541784305780136
Energy: 1.468582096023599
Energy: 1.346827870835675
Energy: 1.3159167281223392
Energy: 1.3294113484017605
Energy: 1.3306085737887663
Energy: 1.3541784305780136
Energy: 1.468582096023599
Energy: 1.3675863429895088
Energy: 1.3373599431641032
Energy: 1.308862648367959
Energy: 1.4391096775682337
Energy: 1.2969762411265766
Energy: 1.3881005616714277
Energy: 1.367586342990315
Energy: 1.3373599431645062
Energy: 1.308862648368765
Energy: 1.439109677568637
Energy: 1.3685898827913734
Energy: 1.3839859105435965
Energy: 1.384003012849723
Energy: 1.3687147288750583
Energy: 1.3146197524226437
Energy: 1.314829399190265
Energy: 1.3685898827921794
Energy: 1.3839859105435965
Energy: 1.384003012849723
Energy: 1.3687147288746555
Energy: 1.4382610172826027
Energy: 1.3088879079472073
Energy: 1.3373910115751795
Energy: 1.3675961621101296
Energy: 1.3880261690675413
Energy: 1.2971173809177121
Energy: 1.4382610172826027
Energy: 1.3088879079472073
Energy: 1.3373910115751795
Energy: 1.3675961621101296
Energy: 1.468342945314329
Energy: 1.3540479964015306
Energy: 1.3306531720413588
Energy: 1.3294013311486321
Energy: 1.3160054043653353
Energy: 1.3467081190219468
Energy: 1.46834294531312
Energy: 1.3540479964019336
Energy: 1.330653172040956
Energy: 1.3294013311490354
Energy: 1.2985593876543877
Energy: 1.3706978843581508
Energy: 1.4681967391168151
Energy: 1.3297600156820943
Energy: 1.3249591128075462
Energy: 1.5499292222723662
Energy: 1.2985593876539847
Energy: 1.3706978843557325
Energy: 1.468196739116412
Energy: 1.3297600156812885
Energy: 1.3173676236487535
Energy: 1.3362624408372525
Energy: 1.2956869206534478
Energy: 1.409111922897468
Energy: 1.3963483147976625
Energy: 1.3519986276968465
Energy: 1.3173676236479472
Energy: 1.3362624408368498
Energy: 1.2956869206526418
Energy: 1.409111922896259

minimum gb energy = 1.295570048624977 eV
minimum distance =  2.22255304001367 Angstroms
sigma value = 293


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

Energy: 1.1182203737367429
Energy: 1.1696903239090608
Energy: 1.1688222740015375
Energy: 1.604928069486535
Energy: 1.1688195881475858
Energy: 1.1696774161988617
Energy: 1.1182203737367429
Energy: 1.169690323909789
Energy: 1.1688222740015375
Energy: 1.4797413037850902
Energy: 1.1689356308092334
Energy: 1.7271991129788848
Energy: 1.168841878330558
Energy: 1.5132352292705655
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.1689356308085046
Energy: 1.4995281883814526
Energy: 1.1688418783298296
Energy: 1.5132352292705655
Energy: 1.1942006588484628
Energy: 1.1164729880018571
Energy: 1.6290514116190975
Energy: 1.1162604171881965
Energy: 1.2006037269980765
Energy: 1.169314080102154
Energy: 1.1942006588491914
Energy: 1.1164729880025857
Energy: 1.629051411619826
Energy: 1.116260417187468
Energy: 1.6290894153781084
Energy: 1.1164190289959748
Energy: 1.194211844521296
Energy: 1.1693170915528728
Energy: 1.2006680108580026
Energy: 1.1162011845318964
Energy: 1.6290894153781084
Energy: 1.1164190289959748
Energy: 1.1942118445227528
Energy: 1.1693170915521445
Energy: 1.1688426570080486
Energy: 1.7418062073554812
Energy: 1.1689496655701797
Energy: 1.1699782532221605
Energy: 1.6825238225320243
Energy: 1.3795091346938193
Energy: 1.1688426570080486
Energy: 1.7418062073554812
Energy: 1.1689496655709082
Energy: 1.1699782532214322
Energy: 1.1688195881483143
Energy: 1.1696774161988617
Energy: 1.1182203737367429
Energy: 1.1696903239090608
Energy: 1.1688222740015375
Energy: 1.4811248909293244
Energy: 1.1688195881475858
Energy: 1.1696774161981334
Energy: 1.1182203737367429
Energy: 1.169690323909789
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.1689356308092334
Energy: 1.7271991129788848
Energy: 1.168841878330558
Energy: 1.5132352292705655
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.1689356308085046
Energy: 1.6300891542014253
Energy: 1.2006037269973482
Energy: 1.169314080102154
Energy: 1.1942006588484628
Energy: 1.1164729880018571
Energy: 1.6290514116190975
Energy: 1.1162604171881965
Energy: 1.2006037269973482
Energy: 1.169314080102154
Energy: 1.1942006588491914
Energy: 1.1164729880025857
Energy: 1.2006680108587309
Energy: 1.116201184531168
Energy: 1.6290894153788371
Energy: 1.116419028996703
Energy: 1.194211844521296
Energy: 1.1693170915528728
Energy: 1.2006680108580026
Energy: 1.116201184531168
Energy: 1.6290894153781084
Energy: 1.1164190289959748
Energy: 1.6825238225320243
Energy: 1.4602582646220326
Energy: 1.1688426570080486
Energy: 1.6067995867222178
Energy: 1.1689496655701797
Energy: 1.1699782532221605
Energy: 1.6825238225320243
Energy: 1.3795091346945476
Energy: 1.1688426570080486
Energy: 1.7418062073547527
Energy: 1.1688222740015375
Energy: 1.6223229383755637
Energy: 1.1688195881483143
Energy: 1.1696774161988617
Energy: 1.1182203737367429
Energy: 1.1696903239090608
Energy: 1.1688222740015375
Energy: 1.4805752330230662
Energy: 1.1688195881475858
Energy: 1.1696774161981334
Energy: 1.1688418783298296
Energy: 1.5132352292705655
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.1689356308092334
Energy: 1.7271991129781565
Energy: 1.168841878330558
Energy: 1.5132352292705655
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.629051411619826
Energy: 1.116260417187468
Energy: 1.2006037269973482
Energy: 1.169314080101426
Energy: 1.1942006588484628
Energy: 1.1164729880018571
Energy: 1.6290514116190975
Energy: 1.1162604171881965
Energy: 1.2006037269973482
Energy: 1.169314080102154
Energy: 1.1942118445227528
Energy: 1.1693170915521445
Energy: 1.2006680108587309
Energy: 1.116201184531168
Energy: 1.6290894153788371
Energy: 1.116419028996703
Energy: 1.194211844521296
Energy: 1.1693170915528728
Energy: 1.2006680108580026
Energy: 1.116201184531168
Energy: 1.1689496655709082
Energy: 1.1699782532214322
Energy: 1.6825238225320243
Energy: 1.3795091346945476
Energy: 1.1688426570080486
Energy: 1.51735716224092
Energy: 1.1689496655701797
Energy: 1.1699782532228562
Energy: 1.6825238225320243
Energy: 1.3795091346945476
Energy: 1.1182203737367429
Energy: 1.169690323909789
Energy: 1.1688222740015375
Energy: 1.5163315094808958
Energy: 1.1688195881483143
Energy: 1.1696774161988617
Energy: 1.1182203737367429
Energy: 1.1696903239090608
Energy: 1.1688222740015375
Energy: 1.622322938374835
Energy: 1.1689356308085046
Energy: 1.8380764927070006
Energy: 1.1688418783298296
Energy: 1.5132352292705655
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.1689356308092334
Energy: 1.838076492707729
Energy: 1.168841878330558
Energy: 1.5132352292705655
Energy: 1.1942006588491914
Energy: 1.1164729880025857
Energy: 1.629051411619826
Energy: 1.116260417187468
Energy: 1.2006037269973482
Energy: 1.169314080102154
Energy: 1.1942006588484628
Energy: 1.1164729880018571
Energy: 1.6290514116190975
Energy: 1.116260417187468
Energy: 1.6290894153781084
Energy: 1.1164190289959748
Energy: 1.1942118445227528
Energy: 1.1693170915521445
Energy: 1.2006680108587309
Energy: 1.116201184531168
Energy: 1.6290894153788371
Energy: 1.1164190289959748
Energy: 1.194211844521296
Energy: 1.1693170915521445
Energy: 1.16884265700732
Energy: 1.5173571622401918
Energy: 1.1689496655709082
Energy: 1.1699782532214322
Energy: 1.6825238225320243
Energy: 1.3795091346945476
Energy: 1.1688426570080486
Energy: 1.51735716224092
Energy: 1.1689496655701797
Energy: 1.1699782532221605
Energy: 1.1688195881475858
Energy: 1.1696774161981334
Energy: 1.1182203737367429
Energy: 1.169690323909789
Energy: 1.1688222740015375
Energy: 1.5163315094808958
Energy: 1.1688195881483143
Energy: 1.1696774161988617
Energy: 1.1182203737367429
Energy: 1.1696903239090608
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.1689356308085046
Energy: 1.8380764927070006
Energy: 1.1688418783298296
Energy: 1.5132352292705655
Energy: 1.682508602858312
Energy: 1.1699612129971237
Energy: 1.1689356308092334
Energy: 1.838076492707729

minimum gb energy = 1.116201184531168 eV
minimum distance =  2.27970426993554 Angstroms
sigma value = 15


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

Energy: 1.5350709599926744
Energy: 1.2809917726357534
Energy: 1.305493110323627
Energy: 1.333020024333579
Energy: 1.3085358743375184
Energy: 1.2807986898730628
Energy: 1.535070959994325
Energy: 1.2809917726380646
Energy: 1.3054931103232967
Energy: 1.333020024333579
Energy: 1.366985013005609
Energy: 1.3523677422867566
Energy: 1.305735015324318
Energy: 1.315908100662678
Energy: 1.315399249697162
Energy: 1.2745881892858806
Energy: 1.3669850130069294
Energy: 1.3523677422877471
Energy: 1.3057350153249783
Energy: 1.3159081006606967
Energy: 1.3003501919832239
Energy: 1.2662748552038479
Energy: 1.4310436071091621
Energy: 1.3171130148609551
Energy: 1.3131000776166522
Energy: 1.447725050365451
Energy: 1.300350191983554
Energy: 1.266274855202527
Energy: 1.4310436071091621
Energy: 1.3171130148629364
Energy: 1.3894622397811685
Energy: 1.267774307478049
Energy: 1.2883667088399293
Energy: 1.3343524375002898
Energy: 1.3572993864150278
Energy: 1.274193079642488
Energy: 1.3894622397795173
Energy: 1.2677743074806904
Energy: 1.2883667088425708
Energy: 1.334352437502241
Energy: 1.2875499578148064
Energy: 1.3912547522712224
Energy: 1.2695217994845378
Energy: 1.3175311797832812
Energy: 1.3173332572950958
Energy: 1.2745386632764868
Energy: 1.2875499578134855
Energy: 1.3912547522722132
Energy: 1.2695217994871792
Energy: 1.3175311797822904
Energy: 1.288179614176333
Energy: 1.2689263672259896
Energy: 1.3008218904302633
Energy: 1.3006486944607536
Energy: 1.2985278098265314
Energy: 1.392166678990493
Energy: 1.2881796141773236
Energy: 1.2689263672273106
Energy: 1.300821890433565
Energy: 1.3006486944594327
Energy: 1.3466515355670332
Energy: 1.2532720828368422
Energy: 1.2691224477256855
Energy: 1.3462175661906182
Energy: 1.3366974850711966
Energy: 1.3135828830273895
Energy: 1.346651535565052
Energy: 1.253272082834861
Energy: 1.2691224477276664
Energy: 1.3462175661919387
Energy: 1.2825962723261748
Energy: 1.2758767778862783
Energy: 1.2646374920515586
Energy: 1.3017572038282064
Energy: 1.3400554538322036
Energy: 1.31369222771974
Energy: 1.2825962723255147
Energy: 1.2758767778885896
Energy: 1.264637492052219
Energy: 1.3017572038282064
Energy: 1.298146640046363
Energy: 1.3518161562685111
Energy: 1.3917971297158693
Energy: 1.3040327267945004
Energy: 1.278552509856475
Energy: 1.2848076028269766
Energy: 1.2981466400490047
Energy: 1.3518161562668602
Energy: 1.3917971297132277
Energy: 1.3040327267954908
Energy: 1.3035900462207919
Energy: 1.284156040541755
Energy: 1.2709861428960554
Energy: 1.2902307439725818
Energy: 1.3061262443220687
Energy: 1.3047593532957618
Energy: 1.3035900462231034
Energy: 1.2841560405401038
Energy: 1.2709861428917628
Energy: 1.29023074397027
Energy: 1.2844729525515057
Energy: 1.3424685545452824
Energy: 1.2840848690577567
Energy: 1.4634476845210997
Energy: 1.298843794692557
Energy: 1.3148796747087705
Energy: 1.284472952554808
Energy: 1.342468554543331
Energy: 1.2840848690597377
Energy: 1.4634476845217603
Energy: 1.2923513338209354
Energy: 1.3001435855381192
Energy: 1.4061583753138387
Energy: 1.2664362807606986
Energy: 1.3551378966647014
Energy: 1.3250093548121125
Energy: 1.2923513338199446
Energy: 1.300143585537789
Energy: 1.4061583753138387
Energy: 1.2664362807616893
Energy: 1.3767666917571857
Energy: 1.2870366310673593
Energy: 1.27206812614958
Energy: 1.2883123179349314
Energy: 1.2840557468616787
Energy: 1.2897514244406747
Energy: 1.3767666917571857
Energy: 1.28703663106802
Energy: 1.2720681261489195
Energy: 1.2883123179372429
Energy: 1.3069837423168928
Energy: 1.3992880450091576
Energy: 1.2675464363333786
Energy: 1.3841508806367975
Energy: 1.3536261439890291
Energy: 1.3184833013696773
Energy: 1.3069837423175534
Energy: 1.3992880450104785
Energy: 1.2675464363337088
Energy: 1.3841508806344862
Energy: 1.315152322201329
Energy: 1.274066363985986
Energy: 1.292534717854673
Energy: 1.266947329210396
Energy: 1.3007283113350196
Energy: 1.3024606573654451
Energy: 1.315152322200008
Energy: 1.2740663639823535
Energy: 1.292534717856324
Energy: 1.2669473292130375
Energy: 1.2642914864017898
Energy: 1.3106681391417554
Energy: 1.3847498787127013
Energy: 1.3128678330919359
Energy: 1.292215908050092
Energy: 1.3150065119283183
Energy: 1.2642914864014596
Energy: 1.310668139142416
Energy: 1.3847498787127013
Energy: 1.3128678330942471
Energy: 1.3481028358047047
Energy: 1.3059611002287532
Energy: 1.268266638435411
Energy: 1.2808132332846067
Energy: 1.2694798089120631
Energy: 1.3119731646433155
Energy: 1.3481028358066858
Energy: 1.3059611002297438
Energy: 1.268266638432109
Energy: 1.280813233283286
Energy: 1.3189429708974423
Energy: 1.315026685146369
Energy: 1.3506104728331967
Energy: 1.240740969850213
Energy: 1.3271105442103939
Energy: 1.3055513349939343
Energy: 1.318942970897112
Energy: 1.3150266851466992
Energy: 1.3506104728328665
Energy: 1.240740969852194
Energy: 1.2689379369793101
Energy: 1.3116648614230886
Energy: 1.3005641318051502
Energy: 1.2724539856056605
Energy: 1.266281883756512
Energy: 1.3937302568137717
Energy: 1.2689379369803007
Energy: 1.3116648614240793
Energy: 1.3005641318084522
Energy: 1.272453985605
Energy: 1.3350715321509574
Energy: 1.3568518495698572
Energy: 1.2916105746207467
Energy: 1.4471857734978766
Energy: 1.2922273904985855
Energy: 1.2719924466370403
Energy: 1.3350715321512876
Energy: 1.3568518495724986
Energy: 1.291610574619756
Energy: 1.4471857734975464
Energy: 1.3256558961736076
Energy: 1.2899391818720491
Energy: 1.3635914762981258
Energy: 1.2656804689606913
Energy: 1.4210783360122805
Energy: 1.2581974393884798
Energy: 1.325655896170966
Energy: 1.289939181870398
Energy: 1.3635914762974655
Energy: 1.2656804689646537
Energy: 1.3021017406921152
Energy: 1.3061740560387043
Energy: 1.279425541753618
Energy: 1.287979787940924
Energy: 1.2668952780229117
Energy: 1.300910620593509
Energy: 1.3021017406878226
Energy: 1.3061740560403554
Energy: 1.279425541751637
Energy: 1.2879797879399333
Energy: 1.3475563703307551
Energy: 1.2985522700283454
Energy: 1.3128430061241767
Energy: 1.3602722247322705
Energy: 1.3570477011403514
Energy: 1.270280356996017
Energy: 1.3475563703314157
Energy: 1.2985522700266943
Energy: 1.3128430061215353
Energy: 1.3602722247306192
Energy: 1.3031823287087203
Energy: 1.329620297376788
Energy: 1.3014600557439806
Energy: 1.2701876885572478
Energy: 1.2739835581953192
Energy: 1.28228107410598
Energy: 1.3031823287093809
Energy: 1.3296202973774487
Energy: 1.3014600557433202
Energy: 1.2701876885569179
Energy: 1.3035395148684261
Energy: 1.3255150964737208
Energy: 1.2800651105231153
Energy: 1.3012203793725177
Energy: 1.2750578900861071
Energy: 1.3197797358005683
Energy: 1.3035395148704072
Energy: 1.3255150964730604
Energy: 1.280065110522455
Energy: 1.3012203793705364
Energy: 1.3648314323611708
Energy: 1.295059995172406
Energy: 1.3168830023740223
Energy: 1.302240130139418
Energy: 1.287309000963286
Energy: 1.2723052615234958
Energy: 1.3648314323631519
Energy: 1.295059995172406
Energy: 1.3168830023746827
Energy: 1.3022401301407387
Energy: 1.2998596669666018
Energy: 1.357594155611573
Energy: 1.3580222763189367
Energy: 1.2984203273339125
Energy: 1.3694243247719557
Energy: 1.271291509253302
Energy: 1.2998596669656113
Energy: 1.357594155608601
Energy: 1.3580222763172858
Energy: 1.2984203273332524
Energy: 1.2522397860595085
Energy: 1.3265183366793596
Energy: 1.3231366874669706
Energy: 1.296442034134182
Energy: 1.287619377556307
Energy: 1.4143972969209873
Energy: 1.2522397860578574
Energy: 1.3265183366790294
Energy: 1.3231366874669706
Energy: 1.2964420341358331
Energy: 1.4966160116941827
Energy: 1.28504443351401
Energy: 1.3173256926835524
Energy: 1.3413078791594872
Energy: 1.2873680378868446
Energy: 1.3008979860280931
Energy: 1.4966160116958338
Energy: 1.28504443351368
Energy: 1.3173256926809105
Energy: 1.341307879157176
Energy: 1.2528274871668572
Energy: 1.43309741849193
Energy: 1.318275273159321
Energy: 1.3061796714237222
Energy: 1.4152994388800186
Energy: 1.3408900428624289
Energy: 1.2528274871681782
Energy: 1.4330974184929206
Energy: 1.318275273160312
Energy: 1.3061796714227314
Energy: 1.2877084555498377
Energy: 1.2995405780846003
Energy: 1.340219032989964
Energy: 1.3069067282451672
Energy: 1.2783946535099253
Energy: 1.499758510765649
Energy: 1.2877084555504978
Energy: 1.2995405780826188
Energy: 1.3402190329886432
Energy: 1.3069067282428555
Energy: 1.3485256254891305
Energy: 1.2994567849697627
Energy: 1.3050604422598968
Energy: 1.2662937492544055
Energy: 1.3106663064772919
Energy: 1.3231133773124448
Energy: 1.348525625492102
Energy: 1.2994567849684417
Energy: 1.3050604422605572
Energy: 1.2662937492544055
Energy: 1.2780331355775232
Energy: 1.3655293741409973
Energy: 1.3129053518691332
Energy: 1.333423896619889
Energy: 1.4003784148455876
Energy: 1.2848483939852087
Energy: 1.2780331355785135
Energy: 1.3655293741436392
Energy: 1.312905351870454
Energy: 1.3334238966195588
Energy: 1.288172006613176
Energy: 1.2857217074851497
Energy: 1.3066178549114895
Energy: 1.3254337900505413
Energy: 1.2830130299935936
Energy: 1.2831395752902996
Energy: 1.288172006613176
Energy: 1.2857217074818479
Energy: 1.3066178549111591
Energy: 1.325433790053153
Energy: 1.332373547085089
Energy: 1.2508654771942267
Energy: 1.333440750993412
Energy: 1.2658636160308019
Energy: 1.3058583832438437
Energy: 1.2996659587494679
Energy: 1.3323735470857496
Energy: 1.2508654771978591
Energy: 1.3334407509940724
Energy: 1.2658636160321226
Energy: 1.268841481147197
Energy: 1.2926962137910376
Energy: 1.2780165231539309
Energy: 1.3093962380751591
Energy: 1.3183850779461619
Energy: 1.2992698139072667
Energy: 1.2688414811465365
Energy: 1.2926962137916982
Energy: 1.27801652315228
Energy: 1.3093962380758195
Energy: 1.2677910597557867
Energy: 1.3024827689446592
Energy: 1.4162459963348424
Energy: 1.3251302245985304
Energy: 1.318818803695835
Energy: 1.4322382088468875
Energy: 1.2677910597561173
Energy: 1.3024827689453193
Energy: 1.416245996332531
Energy: 1.3251302245985304
Energy: 1.2883439268619619
Energy: 1.264639337729668
Energy: 1.3001220592341658
Energy: 1.4039211401603242
Energy: 1.3154161019732837
Energy: 1.2855059368001476
Energy: 1.288343926861301
Energy: 1.264639337728677
Energy: 1.3001220592335054
Energy: 1.4039211401583431
Energy: 1.3284756327159832
Energy: 1.392534866942433
Energy: 1.2873073237633152
Energy: 1.2860813829930717
Energy: 1.3003307106621576
Energy: 1.3245427489896437
Energy: 1.3284756327166436
Energy: 1.3925348669437538
Energy: 1.2873073237636454
Energy: 1.2860813829950528
Energy: 1.2790291470257313
Energy: 1.2710039282257604
Energy: 1.4061932944544104
Energy: 1.3028909955199781
Energy: 1.3573556847375672
Energy: 1.2994993127402035
Energy: 1.2790291470250708
Energy: 1.2710039282270813
Energy: 1.4061932944554012
Energy: 1.302890995521629
Energy: 1.3733289689225543
Energy: 1.2841155338087618
Energy: 1.4786587768074415
Energy: 1.3021192469328422
Energy: 1.309356627492619
Energy: 1.2963306538048238
Energy: 1.3733289689215638
Energy: 1.2841155338100827
Energy: 1.4786587768054602
Energy: 1.302119246932182
Energy: 1.3016684353531163
Energy: 1.3270207797090934
Energy: 1.2532679930028496
Energy: 1.291376004721057
Energy: 1.2815305930239511
Energy: 1.3269689968636178
Energy: 1.3016684353534465
Energy: 1.3270207797074423
Energy: 1.2532679930008686
Energy: 1.2913760047217173
Energy: 1.304039216883763
Energy: 1.2826734926021601
Energy: 1.271421375702998
Energy: 1.2989823774591933
Energy: 1.2991769452869657
Energy: 1.3441992424202454
Energy: 1.3040392168827721
Energy: 1.2826734926021601
Energy: 1.2714213757010167
Energy: 1.2989823774569118
Energy: 1.348102998515304
Energy: 1.2892938032931247
Energy: 1.377428087546925
Energy: 1.40194923522664
Energy: 1.314848806194801
Energy: 1.2985517362877441
Energy: 1.3481029985162947
Energy: 1.2892938032911434
Energy: 1.377428087547255
Energy: 1.4019492352286211
Energy: 1.2996056649462269
Energy: 1.3003496678914208
Energy: 1.2667520869319857
Energy: 1.2878710406078926
Energy: 1.275912636696719
Energy: 1.3152259450299004
Energy: 1.2996056649468872
Energy: 1.3003496678927413
Energy: 1.2667520869319857
Energy: 1.2878710406078926
Energy: 1.3271247879556107
Energy: 1.3390842218798156
Energy: 1.3158075749959435
Energy: 1.2664965857033423
Energy: 1.4062292537147751
Energy: 1.2876186594731729
Energy: 1.3271247879549504
Energy: 1.3390842218811365
Energy: 1.3158075749959435
Energy: 1.2664965857016912
Energy: 1.3067798117958938
Energy: 1.277246796827232
Energy: 1.2920908151708983
Energy: 1.2616844646646306
Energy: 1.2906372511170636
Energy: 1.359775474096652
Energy: 1.306779811794573
Energy: 1.2772467968265717
Energy: 1.2920908151712285
Energy: 1.2616844646649608
Energy: 1.2671732772675914
Energy: 1.331429103753227
Energy: 1.2675302224792375
Energy: 1.2948007694112567
Energy: 1.3000117786494005
Energy: 1.3114034800554553
Energy: 1.2671732772679216
Energy: 1.3314291037538872
Energy: 1.2675302224792375
Energy: 1.2948007694135681
Energy: 1.3400376182256797
Energy: 1.3060049201542465
Energy: 1.3684938495938634
Energy: 1.2588747189632268
Energy: 1.3442211773929367
Energy: 1.254131703674709
Energy: 1.3400376182253495
Energy: 1.306004920155237
Energy: 1.3684938495941936
Energy: 1.2588747189652076

minimum gb energy = 1.240740969850213 eV
minimum distance =  2.29436688331356 Angstroms
sigma value = 437


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

Energy: 1.4219335995425142
Energy: 1.3876171585340473
Energy: 1.2517687689854742
Energy: 1.2674002654241827
Energy: 1.2517116943909032
Energy: 1.3466294690653444
Energy: 1.421933599543717
Energy: 1.3876171585340473
Energy: 1.2517687689842714
Energy: 1.2674002654025287
Energy: 1.2740976470179664
Energy: 1.4642483441792915
Energy: 1.2509089375290507
Energy: 1.217301781273274
Energy: 1.3798422964389598
Energy: 1.2890654238663637
Energy: 1.2740976470167635
Energy: 1.4642483441780885
Energy: 1.2509089375278477
Energy: 1.2173017812744773
Energy: 1.1523279904738308
Energy: 1.2325456892652913
Energy: 1.2513008333597777
Energy: 1.1971615486779377
Energy: 1.2518017940083708
Energy: 1.3900619652219415
Energy: 1.1523279904738308
Energy: 1.2325456892628852
Energy: 1.2513008333597777
Energy: 1.1971615486779377
Energy: 1.291089873359827
Energy: 1.2322066489782997
Energy: 1.2511837650959543
Energy: 1.253449721091264
Energy: 1.2520620577499575
Energy: 1.3432225260263737
Energy: 1.2910898733610299
Energy: 1.2322066489782997
Energy: 1.2511837650959543
Energy: 1.253449721091264
Energy: 1.1483609202709801
Energy: 1.2290455681674874
Energy: 1.252146731249662
Energy: 1.258845288843152
Energy: 1.2832695192704486
Energy: 1.2125957615357839
Energy: 1.1483609202685747
Energy: 1.2290455681674874
Energy: 1.252146731249662
Energy: 1.258845288843152
Energy: 1.2417688693329214
Energy: 1.2652734797940832
Energy: 1.2244965749668182
Energy: 1.2116100463651414
Energy: 1.2288412919516896
Energy: 1.2453360682311687
Energy: 1.2417688693317182
Energy: 1.2652734797916774
Energy: 1.224496574965615
Energy: 1.2116100463651414
Energy: 1.2921640479886958
Energy: 1.233557405539642
Energy: 1.3496223067536037
Energy: 1.2957405026948088
Energy: 1.2516388897937045
Energy: 1.232739627856223
Energy: 1.2921640479874927
Energy: 1.2335574055408451
Energy: 1.3496223067536037
Energy: 1.295740502696012
Energy: 1.149086545565209
Energy: 1.2325675726119882
Energy: 1.2511922866531753
Energy: 1.2545160289458241
Energy: 1.2525188001332088
Energy: 1.2321280737812956
Energy: 1.149086545564006
Energy: 1.232567572613191
Energy: 1.251192286654378
Energy: 1.2545160289470272
Energy: 1.3376821380331303
Energy: 1.2890276686280042
Energy: 1.5350305545964298
Energy: 1.183626212797311
Energy: 1.2514733672685976
Energy: 1.2845727400141413
Energy: 1.3376821380331303
Energy: 1.289027668629207
Energy: 1.5350305545988354
Energy: 1.183626212797311
Energy: 1.2271986998106283
Energy: 1.227260971997825
Energy: 1.2239415838143892
Energy: 1.2120182711860354
Energy: 1.2514560533925398
Energy: 1.346526368759647
Energy: 1.2271986998118316
Energy: 1.2272609719966219
Energy: 1.223941583816795
Energy: 1.2120182711848324
Energy: 1.248342776359437
Energy: 1.3405540535610287
Energy: 1.2523633949660593
Energy: 1.2538647037679167
Energy: 1.3398909897170643
Energy: 1.233137484558092
Energy: 1.248342776503742
Energy: 1.3405540535622318
Energy: 1.2523633949660593
Energy: 1.2538647037667139
Energy: 1.1482002734410912
Energy: 1.2320556534435316
Energy: 1.4072235415837653
Energy: 1.1963735206128912
Energy: 1.2525806122807432
Energy: 1.2323514898258012
Energy: 1.1482002734410912
Energy: 1.2320556534435316
Energy: 1.4072235415837653
Energy: 1.196373520615297
Energy: 1.2529952996381264
Energy: 1.2339668546670843
Energy: 1.3649044636028254
Energy: 1.2537870275567138
Energy: 1.2522328424482025
Energy: 1.3400155545076937
Energy: 1.2529952996393294
Energy: 1.2339668546670843
Energy: 1.3649044636040282
Energy: 1.2537870275591194
Energy: 1.184400914797441
Energy: 1.3567530245173118
Energy: 1.2514047747215176
Energy: 1.2128665522572755
Energy: 1.2246085689515593
Energy: 1.233021691789596
Energy: 1.184400914797441
Energy: 1.356753024516109
Energy: 1.2514047747203145
Energy: 1.2128665522560724

minimum gb energy = 1.1482002734410912 eV
minimum distance =  2.28975746906108 Angstroms
sigma value = 33