Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000368356705
cohesive_energy=4.450349990424746
mass=58.6934
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: 0.022237457661597505
Energy: 0.5251991139556758
Energy: 0.29826597806681493
Energy: 0.5253479568344585
Energy: 0.022237457661597505
Energy: 0.5251991139556758
Energy: 0.29826597806681493
Energy: 0.5312727812336369
Energy: 0.022482053069904282
Energy: 0.33567431375365026
Energy: 0.022479166331973093
Energy: 0.5312727812336369
Energy: 0.022482053069904282
Energy: 0.33567431375365026
Energy: 0.022237457661597505
Energy: 0.5251991139556758
Energy: 0.29826597806681493
Energy: 0.5253479568344585
Energy: 0.022237457661597505
Energy: 0.5251991139556758
Energy: 0.29826597806681493
Energy: 0.5312727812336369
Energy: 0.022482053069904282
Energy: 0.33567431375365026
Energy: 0.022479166331973093
Energy: 0.5312727812336369
Energy: 0.022482053069904282
Energy: 0.33567431375365026
Energy: 0.022237457661597505
Energy: 0.5251991139556758
Energy: 0.29826597806681493
Energy: 0.5253479568344585
Energy: 0.022237457661597505
Energy: 0.5251991139556758
Energy: 0.29826597806681493
Energy: 0.5312727812336369
Energy: 0.022482053069904282
Energy: 0.33567431375365026
Energy: 0.022479166331973093
Energy: 0.5312727812336369
Energy: 0.022482053069904282
Energy: 0.33567431375365026

minimum gb energy = 0.022237457661597505 eV
minimum distance =  2.46975089441583 Angstroms
sigma value = 5


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

Energy: 1.2742382385218134
Energy: 1.2750079136707668
Energy: 1.2878260561994264
Energy: 1.2748250548173317
Energy: 1.2742382385282653
Energy: 1.275007913677219
Energy: 1.279031225443912
Energy: 1.1982137768462513
Energy: 1.204189653150636
Energy: 1.268705206413049
Energy: 1.2147631499931877
Energy: 1.1982137768462513
Energy: 1.2041896531409577
Energy: 1.268705206406597
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Energy: 1.2046553526034005
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Energy: 1.2046553526001744
Energy: 1.3114368660253066
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Energy: 1.2718332076281191
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Energy: 1.223489999264443
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Energy: 1.1909591359825051
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Energy: 1.215815350846012
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Energy: 1.2542115187096563
Energy: 1.215479010787199
Energy: 1.2158153508395597
Energy: 1.2161272715708156
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Energy: 1.2349254552718365
Energy: 1.2066279361068353
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Energy: 1.23598207683902
Energy: 1.2349254552718365
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Energy: 1.2609301660747345
Energy: 1.2010353868943862
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Energy: 1.261340760423287
Energy: 1.2609301660715082
Energy: 1.2010353868911603
Energy: 1.2307459848531355
Energy: 1.2398016726026488
Energy: 1.1872358048969582
Energy: 1.2286298246905587
Energy: 1.2063029090594177
Energy: 1.2398016725994228
Energy: 1.1872358048969582
Energy: 1.2286298246905587
Energy: 1.2917459435986978
Energy: 1.199728960147139
Energy: 1.297506960592218
Energy: 1.2460681390950301
Energy: 1.2917459435955303
Energy: 1.1997289601439132
Energy: 1.297506960588992
Energy: 1.2599678555059923
Energy: 1.187415033912736
Energy: 1.2828166495386508
Energy: 1.2042644715302073
Energy: 1.2599678555188967
Energy: 1.187415033919188
Energy: 1.2828166495321986
Energy: 1.1655733451294226
Energy: 1.210206419505963
Energy: 1.2604984776774915
Energy: 1.2049359761930123
Energy: 1.1655733451326487
Energy: 1.2102064195124154
Energy: 1.2604984776774915
Energy: 1.1916470001938975
Energy: 1.2617963504190826
Energy: 1.2450605381182835
Energy: 1.2711073170519798
Energy: 1.1916470001906712
Energy: 1.2617963504158567
Energy: 1.2450605381246769
Energy: 1.1656807260797202
Energy: 1.2002068253640643
Energy: 1.2393903889299562
Energy: 1.1929540687467621
Energy: 1.165680726076494
Energy: 1.200206825357612
Energy: 1.2393903889267301

minimum gb energy = 1.1653810516211447 eV
minimum distance =  2.21460028006674 Angstroms
sigma value = 401


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

Energy: 1.2846076303633365
Energy: 1.2388956193522993
Energy: 1.290542719948028
Energy: 1.223127810918206
Energy: 1.2846076303596747
Energy: 1.2388956193522993
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Energy: 1.1897073659992738
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Energy: 1.2015881609746168
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Energy: 1.2225620651145868
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Energy: 1.2000483269140285
Energy: 1.2694311558728835
Energy: 1.2089785598420384
Energy: 1.1832094200866239
Energy: 1.2000483269103666
Energy: 1.2545591514943557
Energy: 1.2113065247108574
Energy: 1.245465805128505
Energy: 1.2367712285670702
Energy: 1.2088491717554548
Energy: 1.2113065247035337
Energy: 1.245465805128505
Energy: 1.2367712285634083
Energy: 1.2104890495600171
Energy: 1.2645927429550536
Energy: 1.193424069315348
Energy: 1.2086859773147922
Energy: 1.2104890495600171
Energy: 1.2645927429623778
Energy: 1.193424069315348
Energy: 1.182316597566208
Energy: 1.20460914554242
Energy: 1.205952790438614
Energy: 1.2280065606138684
Energy: 1.1823165975698702
Energy: 1.20460914554242
Energy: 1.331779591835941
Energy: 1.216806157102102
Energy: 1.194224030098788
Energy: 1.1970112652568805
Energy: 1.2279094082744668
Energy: 1.21680615709844
Energy: 1.19422403010245
Energy: 1.1970112652605422
Energy: 1.2270312580413727
Energy: 1.2388956193486373
Energy: 1.239594509515533
Energy: 1.223127810918206
Energy: 1.2270312580523586
Energy: 1.2388956193522993
Energy: 1.239594509511871
Energy: 1.1897073659992738
Energy: 1.200515914312763
Energy: 1.230737221087673
Energy: 1.2093936866146262
Energy: 1.18970736599195
Energy: 1.200515914312763
Energy: 1.230737221094997

minimum gb energy = 1.1814951496546546 eV
minimum distance =  2.27436506485117 Angstroms
sigma value = 311


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

Energy: 1.266802270345649
Energy: 1.211557899067866
Energy: 1.3195285902948484
Energy: 1.211329909434812
Energy: 1.266802270345649
Energy: 1.211557899067866
Energy: 1.3250809390512759
Energy: 1.2785239262182133
Energy: 1.2346876646366811
Energy: 1.2595602631413563
Energy: 1.223229537503029
Energy: 1.2785239262156765
Energy: 1.2346876646358356
Energy: 1.2595602631392422
Energy: 1.2379303561100146
Energy: 1.2712456377846717
Energy: 1.3876369105413517
Energy: 1.2456428544543001
Energy: 1.2379303561108606
Energy: 1.2712456377825576
Energy: 1.3698145258724166
Energy: 1.2536254914020535
Energy: 1.2210489034676721
Energy: 1.345594168142131
Energy: 1.2252121638775473
Energy: 1.2536254914007852
Energy: 1.2210489034668266
Energy: 1.3455941681412855
Energy: 1.2648897477182484
Energy: 1.2206936936228818
Energy: 1.3519769009541533
Energy: 1.2576195571785425
Energy: 1.2648897477165573
Energy: 1.2206936936216133
Energy: 1.3519769009528846
Energy: 1.2078496211881569
Energy: 1.2298695411217277
Energy: 1.2839770532069645
Energy: 1.1965763245893286
Energy: 1.2078496211856198
Energy: 1.229869541121305
Energy: 1.2839770532065418
Energy: 1.254485159614363
Energy: 1.2320209535143356
Energy: 1.2737508107554576
Energy: 1.2419228548538934
Energy: 1.2544851596147857
Energy: 1.2320209535131057
Energy: 1.2437205056761762
Energy: 1.2063177304746349
Energy: 1.2178797612761865
Energy: 1.3265739619979278
Energy: 1.2274085023881325
Energy: 1.2063177304746349
Energy: 1.2178797612766092
Energy: 1.3265739619983503
Energy: 1.2526149973573208
Energy: 1.2192180818577232
Energy: 1.3688739969351555
Energy: 1.235829021391717
Energy: 1.2526149973556293
Energy: 1.219218081860222
Energy: 1.368873996936424
Energy: 1.2395363854781118
Energy: 1.2645864655730312
Energy: 1.2568778325812715
Energy: 1.2208889592947276
Energy: 1.2395363854798032
Energy: 1.264586465570917
Energy: 1.25687783258254
Energy: 1.2844131289264933
Energy: 1.2236366425975274
Energy: 1.3277371426594364
Energy: 1.202885305652344
Energy: 1.2844131289235332
Energy: 1.2236366425971048
Energy: 1.3277371426607052
Energy: 1.2573189861007663
Energy: 1.260633770643804
Energy: 1.2889708718984152
Energy: 1.2494353869988037
Energy: 1.257318986098652
Energy: 1.2606337706425352
Energy: 1.2889708718967239
Energy: 1.2657585012906585
Energy: 1.242490046258753
Energy: 1.322478603378126
Energy: 1.2233756046031676
Energy: 1.2657585012902357
Energy: 1.2424900462583301
Energy: 1.3224786033777027
Energy: 1.2322857426023355
Energy: 1.2484161549564157
Energy: 1.2905809914295765
Energy: 1.2616571812368158
Energy: 1.2322857426023355
Energy: 1.2484161549564157
Energy: 1.2905809914274622
Energy: 1.2653447336772228
Energy: 1.2234755597314713
Energy: 1.3258667934697015
Energy: 1.1979740633090192
Energy: 1.265344733679337
Energy: 1.2234755597310485
Energy: 1.3258667934697015
Energy: 1.2573355732492895
Energy: 1.236055571304529
Energy: 1.288509563488379
Energy: 1.247158260330479
Energy: 1.2573355732501352
Energy: 1.236055571304529
Energy: 1.2885095634866877
Energy: 1.2743663031842856
Energy: 1.2290945253293595
Energy: 1.276727646862437
Energy: 1.2151896229160823
Energy: 1.27436630318344
Energy: 1.2290945253293595
Energy: 1.2767276468637054
Energy: 1.2485234631934727
Energy: 1.310991304889945
Energy: 1.2031113698195395
Energy: 1.2645568464351082
Energy: 1.248523463192627
Energy: 1.3109913048907906
Energy: 1.203111369820808
Energy: 1.2553952472262553
Energy: 1.2184745616547932
Energy: 1.2591473630397367
Energy: 1.2315291301160511
Energy: 1.2553952472262553
Energy: 1.2184745616526793
Energy: 1.2591473630413896
Energy: 1.2062968724119587
Energy: 1.2187165567264433
Energy: 1.2899460592686798
Energy: 1.2349793983228656
Energy: 1.2062968724140728
Energy: 1.2187165567251748
Energy: 1.2899460592674497
Energy: 1.2521631589952489
Energy: 1.2418396457094334
Energy: 1.3190144530706518
Energy: 1.2166623898213373
Energy: 1.2521631589944031
Energy: 1.2418396457119318
Energy: 1.305889570807401
Energy: 1.2260821132830635
Energy: 1.2163357809568724
Energy: 1.327893454077347
Energy: 1.203888265119744
Energy: 1.2260821132851778
Energy: 1.2163357809572954
Energy: 1.3278934540756557
Energy: 1.2800898842994028
Energy: 1.2575157165501276
Energy: 1.2538668420382633
Energy: 1.2208999298554604
Energy: 1.28008988429898
Energy: 1.2575157165475903
Energy: 1.237140455183735
Energy: 1.2258250883585038
Energy: 1.2328616641302919
Energy: 1.3462828863853118
Energy: 1.2214541239781613
Energy: 1.2258250883568123
Energy: 1.2328616641307146
Energy: 1.346282886384889
Energy: 1.23625940164448
Energy: 1.241502400769063
Energy: 1.308158076595155
Energy: 1.253775829037015
Energy: 1.2362594016432116
Energy: 1.241502400769486
Energy: 1.309820614833077
Energy: 1.2507299776171774
Energy: 1.2216078281199205
Energy: 1.288944466337072
Energy: 1.2064784781266105
Energy: 1.2507299776171774
Energy: 1.2216078281194975
Energy: 1.288944466336226
Energy: 1.2882201107725255
Energy: 1.2269084508823145
Energy: 1.3701090854307434
Energy: 1.211409459021001
Energy: 1.2882201107708342
Energy: 1.226908450885697
Energy: 1.3701090854311662
Energy: 1.2807370024393023
Energy: 1.2303863543891833
Energy: 1.2579483233533093
Energy: 1.2361194969045033
Energy: 1.2807370024363425
Energy: 1.230386354389606
Energy: 1.2579483233541167
Energy: 1.2498960069207539
Energy: 1.2691737877975564
Energy: 1.3618673333579536
Energy: 1.2526588481525278
Energy: 1.2498960069228682
Energy: 1.2691737877967109
Energy: 1.361867333364296
Energy: 1.2075643753790803
Energy: 1.2166245631345867
Energy: 1.31396820482882
Energy: 1.2038110215922575
Energy: 1.2075643753824632
Energy: 1.216624563136701
Energy: 1.3139682048292427
Energy: 1.2667430406671953
Energy: 1.2209189985388649
Energy: 1.3121322274564255
Energy: 1.2574922144346574
Energy: 1.2667430406659268
Energy: 1.220918998541402
Energy: 1.3141048732117315
Energy: 1.2132031000133574
Energy: 1.2038495562498142
Energy: 1.3000789143477254
Energy: 1.2208080742383733
Energy: 1.2132031000133574
Energy: 1.2038495562502372
Energy: 1.3000789143473024
Energy: 1.2520182627997187
Energy: 1.2188022020359779
Energy: 1.308884323321174
Energy: 1.2417976321451722
Energy: 1.2520182628005645
Energy: 1.2188022020385147
Energy: 1.300436281925432
Energy: 1.2063226053769092
Energy: 1.2410459589924592
Energy: 1.3223799647208097
Energy: 1.218696229216077
Energy: 1.2063226053735265
Energy: 1.2410459589937277
Energy: 1.3223799647182723
Energy: 1.2526569389172915
Energy: 1.2613392750816999
Energy: 1.3417920491434954
Energy: 1.2208385616913633
Energy: 1.252656938916869
Energy: 1.2613392750821228
Energy: 1.3417920491422268
Energy: 1.2395396087644341
Energy: 1.2575636386408022
Energy: 1.3008068186385822
Energy: 1.2175331948242913
Energy: 1.23953960876528
Energy: 1.2575636386403795
Energy: 1.3008068186398507

minimum gb energy = 1.1965763245893286 eV
minimum distance =  2.26969265161097 Angstroms
sigma value = 39


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

Energy: 1.221400974170394
Energy: 1.2548692897009432
Energy: 1.325656161742853
Energy: 1.254816884826218
Energy: 1.2214009741644054
Energy: 1.254869289709427
Energy: 1.3076614610263968
Energy: 1.2020086973725552
Energy: 1.2389129113342154
Energy: 1.1917566789193659
Energy: 1.2399482372561919
Energy: 1.2020086973775
Energy: 1.2389129113367108
Energy: 1.1917566789213623
Energy: 1.2212479084128613
Energy: 1.1539227583181484
Energy: 1.252678916906474
Energy: 1.2205035947686351
Energy: 1.2212479084028809
Energy: 1.153922758312659
Energy: 1.2526789169114645
Energy: 1.2143186652675422
Energy: 1.2916885018278552
Energy: 1.1915958462932532
Energy: 1.2386449756026006
Energy: 1.2143186652730318
Energy: 1.291688501822865
Energy: 1.1915958462907579
Energy: 1.2998295444552657
Energy: 1.222886067507707
Energy: 1.2212955060129127
Energy: 1.2207588263419336
Energy: 1.2998295444587589
Energy: 1.2228860675052116
Energy: 1.2212955060174042
Energy: 1.2142668280321292
Energy: 1.2383340478477838
Energy: 1.3230184211808205
Energy: 1.2533412219251416
Energy: 1.2142668280351234
Energy: 1.2383340478447897
Energy: 1.3230184211783254
Energy: 1.3976264277823403
Energy: 1.2227088738513625
Energy: 1.2845472784530219
Energy: 1.2204588229229778
Energy: 1.3976264277818413
Energy: 1.2227088738533587
Energy: 1.2774094254337334
Energy: 1.226852071435725
Energy: 1.1803485820248014
Energy: 1.3730574507053144
Energy: 1.18063089269082
Energy: 1.226852071433275
Energy: 1.1803485820233046
Energy: 1.3730574507013218
Energy: 1.3976303909348204
Energy: 1.2204452867967335
Energy: 1.2822459154540025
Energy: 1.2226872261699642
Energy: 1.3976303909393115
Energy: 1.2204452868022229
Energy: 1.2473745400341947
Energy: 1.2142747810921803
Energy: 1.25287681066602
Energy: 1.323059550125964
Energy: 1.2383005377682226
Energy: 1.2142747810961727
Energy: 1.2528768106720085
Energy: 1.3230595501279603
Energy: 1.3000020604431497
Energy: 1.2206693296780176
Energy: 1.2732685539118205
Energy: 1.2228886680113806
Energy: 1.3000020604436489
Energy: 1.2206693296840059
Energy: 1.2479997442560709
Energy: 1.2143235705556592
Energy: 1.2387938477636649
Energy: 1.1917069100177076
Energy: 1.2919475563725662
Energy: 1.21432357055516
Energy: 1.2387938477611697
Energy: 1.1917069100192044
Energy: 1.2212467164836516
Energy: 1.220757332322132
Energy: 1.2654528763534962
Energy: 1.1536790223683573
Energy: 1.2212467164826533
Energy: 1.220757332315145
Energy: 1.254982783229663
Energy: 1.2018357377846614
Energy: 1.240135656666673
Energy: 1.1916640963210836
Energy: 1.239185713944582
Energy: 1.2018357377826652
Energy: 1.240135656665675
Energy: 1.1916640963245768
Energy: 1.221400974170394
Energy: 1.2548692896994462
Energy: 1.319205797462294
Energy: 1.2548168848277153
Energy: 1.2214009741634073
Energy: 1.254869289708928
Energy: 1.3076614610258976
Energy: 1.2020086973730542
Energy: 1.2389129113352135
Energy: 1.191756678918867
Energy: 1.239948237255194
Energy: 1.202008697378498
Energy: 1.23891291133721
Energy: 1.1917566789218612
Energy: 1.2212479084128613
Energy: 1.1539227583181484
Energy: 1.252678916906474
Energy: 1.2205035947691343
Energy: 1.2212479084038788
Energy: 1.153922758313158
Energy: 1.2526789169114645
Energy: 1.2143186652670432
Energy: 1.291688501827356
Energy: 1.191595846292754
Energy: 1.2386449756040976
Energy: 1.2143186652740299
Energy: 1.2916885018233641
Energy: 1.1915958462907579
Energy: 1.2998295444592578
Energy: 1.2228860675082058
Energy: 1.2212955060119148
Energy: 1.220758826293527
Energy: 1.2998295444572618
Energy: 1.2228860675057105
Energy: 1.2212955060179032
Energy: 1.2142668280311308
Energy: 1.2383340478472848
Energy: 1.3230184211793232
Energy: 1.2533412219256406
Energy: 1.2142668280341253
Energy: 1.2383340478452889
Energy: 1.3230184211798226
Energy: 1.397626427781342
Energy: 1.2227088738513625
Energy: 1.241483614363007
Energy: 1.220458822923976
Energy: 1.397626427780843
Energy: 1.2227088738538576
Energy: 1.24148361436151
Energy: 1.226852071437222
Energy: 1.1803485820262987
Energy: 1.3730574507053144
Energy: 1.180630892692816
Energy: 1.2268520714352256
Energy: 1.1803485820233046
Energy: 1.3730574507008226
Energy: 1.3976303909353194
Energy: 1.2204452867972324
Energy: 1.247374540037189
Energy: 1.2226872261714614
Energy: 1.3976303909393115
Energy: 1.220445286803221
Energy: 1.2473745400341947
Energy: 1.2142747810916814
Energy: 1.252876810665022
Energy: 1.3230595501284592
Energy: 1.2383005377677234
Energy: 1.2142747810961727
Energy: 1.2528768106695134
Energy: 1.3230595501289584
Energy: 1.3000020604436489
Energy: 1.2206693296879985
Energy: 1.193440958665663
Energy: 1.2228886680093844
Energy: 1.3000020604436489
Energy: 1.2206693296840059
Energy: 1.1934409586681582
Energy: 1.2143235705571562
Energy: 1.238793847765661
Energy: 1.1917069100187054
Energy: 1.2919475563740634
Energy: 1.214323570556657
Energy: 1.2387938477626668
Energy: 1.1917069100197035
Energy: 1.2212467164831524
Energy: 1.220757332325126
Energy: 1.2387488967020068
Energy: 1.1536790223688564
Energy: 1.2212467164831524
Energy: 1.220757332315145
Energy: 1.2387488966970168
Energy: 1.2018357377846614
Energy: 1.240135656666673
Energy: 1.1916640963210836
Energy: 1.239185713942087
Energy: 1.201835737782166
Energy: 1.240135656665675
Energy: 1.1916640963220817
Energy: 1.2214009741698948
Energy: 1.2548692897004443
Energy: 1.3076614610258976
Energy: 1.254816884825719
Energy: 1.2214009741649046
Energy: 1.254869289709926
Energy: 1.3076614610263968
Energy: 1.2020086973725552
Energy: 1.2389129113342154
Energy: 1.1917566789203642
Energy: 1.2399482372561919
Energy: 1.202008697377001
Energy: 1.2389129113362118
Energy: 1.1917566789223604

minimum gb energy = 1.1536790223683573 eV
minimum distance =  2.27376423162017 Angstroms
sigma value = 21


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

Energy: 1.2689427683822119
Energy: 1.3107302852551623
Energy: 1.2679552597848045
Energy: 1.310662491632968
Energy: 1.2689427683797885
Energy: 1.310730285256374
Energy: 1.2967134075745081
Energy: 1.2830937740022135
Energy: 1.2143964583674518
Energy: 1.1764919069890023
Energy: 1.214294197776846
Energy: 1.28309377399979
Energy: 1.21439645836624
Energy: 1.1764919069877906
Energy: 1.2637741742285178
Energy: 1.2113436231374382
Energy: 1.2717242135418025
Energy: 1.214526401609962
Energy: 1.2637741742260946
Energy: 1.2113436231362262
Energy: 1.2717242135411968
Energy: 1.2864245018791118
Energy: 1.214449463941411
Energy: 1.2130738576378304
Energy: 1.2140092023431017
Energy: 1.2864245018766887
Energy: 1.214449463940805
Energy: 1.2130738576372246
Energy: 1.2171632229356777
Energy: 1.1932952077240373
Energy: 1.279084296756211
Energy: 1.1941077595648955
Energy: 1.2171632229356777
Energy: 1.1932952077222199
Energy: 1.2790842967580283
Energy: 1.2868128115548725
Energy: 1.1953351711279674
Energy: 1.3380395483793335
Energy: 1.2141373703716654
Energy: 1.2868128115554782
Energy: 1.19533517112615
Energy: 1.3380395483817564
Energy: 1.2634658355111936
Energy: 1.1931858229831285
Energy: 1.279375953128111
Energy: 1.236240826463265
Energy: 1.2634658355075588
Energy: 1.1931858229855516
Energy: 1.2793759531256879
Energy: 1.2720208028507938
Energy: 1.203658485112295
Energy: 1.2721856973860048
Energy: 1.2141396064978844
Energy: 1.2720208028538227
Energy: 1.2036584851110832
Energy: 1.2721856973841876
Energy: 1.2634623524927535
Energy: 1.215787766861951
Energy: 1.1935293238491798
Energy: 1.1884513207739715
Energy: 1.2634623524963884
Energy: 1.215787766861951
Energy: 1.1935293238503917
Energy: 1.2653439430349325
Energy: 1.1885650990948418
Energy: 1.1991354021359275
Energy: 1.2144180696624163
Energy: 1.2653439430343265
Energy: 1.1885650990942358
Energy: 1.1991354021389566
Energy: 1.26467375748068
Energy: 1.230580234091191
Energy: 1.27160003140314
Energy: 1.2306444197900082
Energy: 1.2646737574818916
Energy: 1.2305802340881622
Energy: 1.2716000314019282
Energy: 1.160937776023534
Energy: 1.1879923835465298
Energy: 1.1874551597216265
Energy: 1.1877772503358872
Energy: 1.160937776023534
Energy: 1.187992383545924
Energy: 1.1874551597222325
Energy: 1.2604172696005103
Energy: 1.2406517487642394
Energy: 1.2134760727030252
Energy: 1.2141103172243422
Energy: 1.2604172695981144
Energy: 1.2406517487648452
Energy: 1.2134760727036311
Energy: 1.1607647177654372
Energy: 1.1884304354407687
Energy: 1.2643524494741551
Energy: 1.188406981097347
Energy: 1.1607647177678606
Energy: 1.1884304354407687
Energy: 1.264352449472338
Energy: 1.2829320356380622
Energy: 1.1843705874533945
Energy: 1.243134930660163
Energy: 1.21423580148724
Energy: 1.2829320356368503
Energy: 1.1843705874527888
Energy: 1.2431349306589512
Energy: 1.160897786459354
Energy: 1.234933956877922
Energy: 1.2481751215224277
Energy: 1.2446155322260786
Energy: 1.1608977864587482
Energy: 1.2349339568767106
Energy: 1.2481751215193984
Energy: 1.2827507430976088
Energy: 1.1847364419197102
Energy: 1.2741433953692614
Energy: 1.2140582423872996
Energy: 1.2827507431006377
Energy: 1.184736441920922
Energy: 1.2741433953680497
Energy: 1.1610631856462805
Energy: 1.2227856321900443
Energy: 1.2456801657742949
Energy: 1.230771086143273
Energy: 1.1610631856480984
Energy: 1.2227856321918618
Energy: 1.2456801657749006
Energy: 1.2590747273137233
Energy: 1.1840261769063114
Energy: 1.3061877658802428
Energy: 1.2135829241939269
Energy: 1.2590747273161464
Energy: 1.1840261769081288
Energy: 1.3061877658802428
Energy: 1.1610113052387305
Energy: 1.2583736924430817
Energy: 1.2540659249609127
Energy: 1.2583916878905659
Energy: 1.161011305237519
Energy: 1.258373692442476
Energy: 1.2540659249597013
Energy: 1.2590751515423373
Energy: 1.2134991987179442
Energy: 1.3058880296074276
Energy: 1.1842186152677228
Energy: 1.259075151542943
Energy: 1.2134991987179442
Energy: 1.3058880296086388
Energy: 1.160910950664347
Energy: 1.2308149851447852
Energy: 1.245697085939818
Energy: 1.2228641484685498
Energy: 1.1609109506631352
Energy: 1.2308149851490258
Energy: 1.2456970859386063
Energy: 1.28277417466057
Energy: 1.2140075824377061
Energy: 1.2741907694360597
Energy: 1.1848323703160557
Energy: 1.2827741746629935
Energy: 1.2140075824395233
Energy: 1.2741907694366654
Energy: 1.1607233724751325
Energy: 1.2445324272151403
Energy: 1.2481561326820887
Energy: 1.234876368363513
Energy: 1.160723372475738
Energy: 1.2445324272169578
Energy: 1.2481561326826944
Energy: 1.2829520058354937
Energy: 1.2141931481911123
Energy: 1.27440220035941
Energy: 1.1844276782568237
Energy: 1.2829520058324648
Energy: 1.2141931481935355
Energy: 1.2744022003563809

minimum gb energy = 1.1607233724751325 eV
minimum distance =  2.25809224869344 Angstroms
sigma value = 113


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

Energy: 1.2281917635325261
Energy: 1.3457260483763798
Energy: 1.2944200781773267
Energy: 1.346039080441963
Energy: 1.228191763529145
Energy: 1.345726048356094
Energy: 1.3620532126585814
Energy: 1.3061846805772754
Energy: 1.2760121042121304
Energy: 1.227591343799738
Energy: 1.2762310621336905
Energy: 1.3061846805806563
Energy: 1.2760121042121304
Energy: 1.2275913437963573
Energy: 1.228480992187824
Energy: 1.2458792009999726
Energy: 1.2861993196310804
Energy: 1.2472490986718072
Energy: 1.228480992187824
Energy: 1.2458792009965916
Energy: 1.2861993196276995
Energy: 1.1786178129189009
Energy: 1.2752880830954292
Energy: 1.2211866335109607
Energy: 1.276473999325854
Energy: 1.1786178129290443
Energy: 1.275288083108892
Energy: 1.2211866335041985
Energy: 1.2053831642183832
Energy: 1.2110491729437887
Energy: 1.3176471066662885
Energy: 1.1843107708917155
Energy: 1.2053831642082398
Energy: 1.2110491729437887
Energy: 1.3176471066595266
Energy: 1.1800809851125844
Energy: 1.2120410580939853
Energy: 1.307856720538218
Energy: 1.2148492990313862
Energy: 1.1800809851125844
Energy: 1.2120410580906043
Energy: 1.307856720541599
Energy: 1.2176608843173662
Energy: 1.2094905881969495
Energy: 1.3658520194954635
Energy: 1.2070682826460304
Energy: 1.2176608843207473
Energy: 1.2094905881868063
Energy: 1.3658520194954635
Energy: 1.180543260561162
Energy: 1.2216514644446677
Energy: 1.3556595698380673
Energy: 1.2065494770904999
Energy: 1.1805432605544
Energy: 1.2216514644412866
Energy: 1.3556595698279241
Energy: 1.2183705828890357
Energy: 1.2275050899673494
Energy: 1.3713717538617232
Energy: 1.180167267238362
Energy: 1.2183705828924165
Energy: 1.2275050899572064
Energy: 1.371371753865104
Energy: 1.172080799294792
Energy: 1.2203665121910559
Energy: 1.2425042671353983
Energy: 1.220142435277851
Energy: 1.1720807992981728
Energy: 1.2203665121944367
Energy: 1.2425042671387794
Energy: 1.2171357413307196
Energy: 1.2148175065869804
Energy: 1.3197378042088244
Energy: 1.1798539421107512
Energy: 1.2171357413307196
Energy: 1.2148175065903615
Energy: 1.3197378041986811
Energy: 1.1748196329378198
Energy: 1.20972480626818
Energy: 1.2807716994682243
Energy: 1.2112918158133559
Energy: 1.1748196329344387
Energy: 1.2097248062614179
Energy: 1.2807716994749863
Energy: 1.2162119351011949
Energy: 1.2222410331861169
Energy: 1.320006585830008
Energy: 1.2060714254459355
Energy: 1.2162119350978138
Energy: 1.2222410331861169
Energy: 1.320006585830008
Energy: 1.2044870418429554
Energy: 1.2583814798932322
Energy: 1.260207941994001
Energy: 1.2540237208089755
Energy: 1.2044870418497176
Energy: 1.2583814798898512
Energy: 1.260207941994001
Energy: 1.2159986111478394
Energy: 1.2318557802378234
Energy: 1.301547987030774
Energy: 1.253435596683464
Energy: 1.2159986111444583
Energy: 1.2318557802310615
Energy: 1.301547987030774
Energy: 1.2049373527441956
Energy: 1.2072033237967363
Energy: 1.2830792818622185
Energy: 1.2111543394750184
Energy: 1.2049373527509575
Energy: 1.2072033237933555
Energy: 1.2830792818723615
Energy: 1.2110758723109893
Energy: 1.2227623113709807
Energy: 1.2638092738954152
Energy: 1.206414964035832
Energy: 1.2110758723008463
Energy: 1.2227623113642185
Energy: 1.2638092738954152
Energy: 1.1730002014420695
Energy: 1.2125410793726492
Energy: 1.2828583891335232
Energy: 1.2156607945880435
Energy: 1.1730002014454506
Energy: 1.2125410793625062
Energy: 1.2828583891402854
Energy: 1.2103974753909514
Energy: 1.2274632686376483
Energy: 1.3587824375008555
Energy: 1.2277564513190211
Energy: 1.2103974753943325
Energy: 1.2274632686444102
Energy: 1.358782437510999
Energy: 1.171217183558419
Energy: 1.2227412404955251
Energy: 1.2900971822309797
Energy: 1.2137638867467735
Energy: 1.1712171835618004
Energy: 1.2227412404955251
Energy: 1.2900971822242175
Energy: 1.2278082308074905
Energy: 1.213829477172874
Energy: 1.3925718533623415
Energy: 1.2485847483820627
Energy: 1.2278082308108715
Energy: 1.2138294771593496
Energy: 1.392571853355641
Energy: 1.17124029525817
Energy: 1.2084470489386885
Energy: 1.333942852451632
Energy: 1.2133047127299381
Energy: 1.171240295268313
Energy: 1.2084470489420696
Energy: 1.3339428524583938
Energy: 1.19874398253942
Energy: 1.214002872639996
Energy: 1.3656985346409232
Energy: 1.2118796404895944
Energy: 1.1987439825326578
Energy: 1.214002872643377
Energy: 1.3656985346409232
Energy: 1.1879775700475548
Energy: 1.2001926683994217
Energy: 1.2998901054240553
Energy: 1.2155332944043111
Energy: 1.187977570037412
Energy: 1.2001926683994217
Energy: 1.2998901054341983
Energy: 1.2292932156057204
Energy: 1.2674326972407275
Energy: 1.3094873217617924
Energy: 1.3417278830052026
Energy: 1.2292932156091014
Energy: 1.2674326972305847
Energy: 1.3094873217617924
Energy: 1.1997726560822863
Energy: 1.261756971380693
Energy: 1.381172349223378
Energy: 1.2714204380385878
Energy: 1.1997726560822863
Energy: 1.261756971387455
Energy: 1.3811723492199974
Energy: 1.346729519520122
Energy: 1.2649511686914503
Energy: 1.2654792112728093
Energy: 1.341880867668461
Energy: 1.3467295195336462
Energy: 1.2649511686880692
Energy: 1.2654792112661086
Energy: 1.2002850290326068
Energy: 1.337608892129051
Energy: 1.3439670107601818
Energy: 1.3373221416455676
Energy: 1.2002850290326068
Energy: 1.337608892115527
Energy: 1.3439670107601818
Energy: 1.3467539373107225
Energy: 1.2640780920695218
Energy: 1.3084486855638264
Energy: 1.3416272329389871
Energy: 1.3467539373107225
Energy: 1.264078092076284
Energy: 1.3084486855672075
Energy: 1.210785739314116
Energy: 1.2694374082101594
Energy: 1.3523330014665709
Energy: 1.2705198474730781
Energy: 1.210785739314116
Energy: 1.2694374082135402
Energy: 1.3523330014530466
Energy: 1.2276815221214556
Energy: 1.263505485723011
Energy: 1.2756047469682796
Energy: 1.3422093859872124
Energy: 1.2276815221248367
Energy: 1.263505485723011
Energy: 1.2756047469716607
Energy: 1.2098675280294513
Energy: 1.2084681018146808
Energy: 1.300134379940596
Energy: 1.2101069597948604
Energy: 1.2098675280328324
Energy: 1.2084681018079186
Energy: 1.300134379940596
Energy: 1.2208091642526948
Energy: 1.2017031470519564
Energy: 1.3350170689813092
Energy: 1.2782968319292096
Energy: 1.2208091642459327
Energy: 1.2017031470384325
Energy: 1.3350170689711665
Energy: 1.2057313907856766
Energy: 1.207968019522187
Energy: 1.3158512899241304
Energy: 1.221938068670908
Energy: 1.2057313907822957
Energy: 1.207968019528949
Energy: 1.3158512899308925
Energy: 1.2105677409014335
Energy: 1.1963057321373423
Energy: 1.310605132148638
Energy: 1.2777381462432764
Energy: 1.2105677409081956
Energy: 1.1963057321271993
Energy: 1.310605132148638
Energy: 1.210417792523002
Energy: 1.2002014311939593
Energy: 1.2810070916059413
Energy: 1.1926789571387184
Energy: 1.210417792533145
Energy: 1.2002014312074836
Energy: 1.2810070916025602
Energy: 1.206561622347773
Energy: 1.1862034357525817
Energy: 1.257877873960041
Energy: 1.281398916589375
Energy: 1.2065616223443922
Energy: 1.1862034357525817
Energy: 1.257877873960041
Energy: 1.2126573910724918
Energy: 1.2003318562497365
Energy: 1.3102158842437632
Energy: 1.1924614499920916
Energy: 1.2126573910691107
Energy: 1.2003318562497365
Energy: 1.3102158842403824
Energy: 1.1960066567041534
Energy: 1.2540262839030678
Energy: 1.2879625001398545
Energy: 1.2532204497665596
Energy: 1.1960066567075347
Energy: 1.2540262839098295
Energy: 1.2879625001364736
Energy: 1.2124196791494717
Energy: 1.252397723103475
Energy: 1.2881067808730575
Energy: 1.2338619692633608
Energy: 1.2124196791291857
Energy: 1.2523977231068562
Energy: 1.2881067808764386
Energy: 1.2692997018717251
Energy: 1.269074510873545
Energy: 1.3407127893775717
Energy: 1.2527533371566042
Energy: 1.2692997018751062
Energy: 1.269074510880307
Energy: 1.3407127893708097
Energy: 1.2098750807199705
Energy: 1.2334282411252115
Energy: 1.381546136231656
Energy: 1.2579007707814154
Energy: 1.2098750807098273
Energy: 1.2334282411285924
Energy: 1.381546136241799
Energy: 1.2125380469405913
Energy: 1.269379900503701
Energy: 1.2839200080619084
Energy: 1.252746052119228
Energy: 1.2125380469405913
Energy: 1.2693799005138442
Energy: 1.2839200080517654
Energy: 1.2090611099976587
Energy: 1.223021527270471
Energy: 1.3636089984731259
Energy: 1.2069690291387427
Energy: 1.2090611099942778
Energy: 1.22302152726709
Energy: 1.3636089984731259
Energy: 1.1714902065412347
Energy: 1.2609528504762426
Energy: 1.3305154027598323
Energy: 1.2779730896024175
Energy: 1.1714902065479353
Energy: 1.2609528504762426
Energy: 1.330515402769975

minimum gb energy = 1.171217183558419 eV
minimum distance =  2.244981410233 Angstroms
sigma value = 365


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

Energy: 1.1055238996900623
Energy: 1.0664888566586013
Energy: 1.2159279969423868
Energy: 1.066488856655552
Energy: 1.105523899684726
Energy: 1.066488856655552
Energy: 1.170093887703356
Energy: 1.1055238996854886
Energy: 1.0664888566578388
Energy: 1.5220407976877384
Energy: 1.0664888566578388
Energy: 1.1055238996877754
Energy: 1.0664888566578388
Energy: 1.2159279968159153
Energy: 1.1055238996862506
Energy: 1.0664888566563142
Energy: 1.21592799626197
Energy: 1.0664888566578388
Energy: 1.1055238996854886
Energy: 1.0664888566570765
Energy: 1.2159279964791199
Energy: 1.1055238996908245
Energy: 1.0664888566593633
Energy: 1.215927996031099
Energy: 1.0664888566563142
Energy: 1.1055238996839638
Energy: 1.0664888566563142
Energy: 1.1700938877018312
Energy: 1.105523899684726
Energy: 1.0664888566570765
Energy: 1.2159279957926048
Energy: 1.0664888566570765
Energy: 1.1055238996885375
Energy: 1.0664888566578388
Energy: 1.2159279959922218
Energy: 1.1055238996862506
Energy: 1.0664888566563142
Energy: 1.1492944717326568
Energy: 1.0664888566578388
Energy: 1.105523899687013
Energy: 1.0664888566570765
Energy: 1.1492944717418043
Energy: 1.1055238996893
Energy: 1.0664888566586013
Energy: 1.1492944717250337
Energy: 1.066488856655552
Energy: 1.1055238996839638
Energy: 1.066488856655552
Energy: 1.170093887703356
Energy: 1.1055238996854886
Energy: 1.0664888566578388
Energy: 1.1492944717189701
Energy: 1.0664888566578388
Energy: 1.1055238996893
Energy: 1.0664888566578388
Energy: 1.1492944717288451
Energy: 1.1055238996877754
Energy: 1.0664888566563142
Energy: 1.2446310224009753
Energy: 1.0664888566578388
Energy: 1.1055238996862506
Energy: 1.0664888566570765
Energy: 1.2446310224009753
Energy: 1.1055238996900623
Energy: 1.0664888566586013
Energy: 1.2446310223979258
Energy: 1.066488856655552
Energy: 1.1055238996832015
Energy: 1.0664888566563142
Energy: 1.1700938877018312
Energy: 1.1055238996854886
Energy: 1.0664888566570765
Energy: 1.2446310223971637
Energy: 1.0664888566570765
Energy: 1.1055238996908245
Energy: 1.0664888566586013
Energy: 1.2446310223994508
Energy: 1.105523899687013
Energy: 1.0664888566563142
Energy: 1.1700938877018312
Energy: 1.0664888566578388
Energy: 1.105523899687013
Energy: 1.0664888566570765
Energy: 1.1700938877025935
Energy: 1.1055238996900623
Energy: 1.0664888566586013
Energy: 1.1700938877048803
Energy: 1.066488856655552
Energy: 1.1055238996832015
Energy: 1.066488856655552
Energy: 1.1700938877025935
Energy: 1.1055238996862506
Energy: 1.0664888566578388
Energy: 1.170093887704118
Energy: 1.0664888566578388
Energy: 1.1055238996908245
Energy: 1.0664888566578388
Energy: 1.1700938877048803
Energy: 1.1055238996877754
Energy: 1.0664888566563142
Energy: 1.1700938877018312
Energy: 1.0664888566578388
Energy: 1.1055238996862506
Energy: 1.0664888566570765
Energy: 1.170093887703356
Energy: 1.1055238996900623
Energy: 1.0664888566586013
Energy: 1.170093887704118
Energy: 1.066488856655552
Energy: 1.1055238996832015
Energy: 1.0664888566563142
Energy: 1.1700938877018312
Energy: 1.1055238996854886
Energy: 1.0664888566570765
Energy: 1.1700938877048803
Energy: 1.0664888566570765
Energy: 1.1055238996900623
Energy: 1.0664888566586013
Energy: 1.1700938877056428
Energy: 1.105523899687013
Energy: 1.0664888566563142
Energy: 1.170093887703356
Energy: 1.0664888566578388
Energy: 1.1055238996862506
Energy: 1.0664888566578388
Energy: 1.1700938877025935
Energy: 1.1055238996893
Energy: 1.0664888566586013
Energy: 1.170093887704118
Energy: 1.066488856655552
Energy: 1.1055238996832015
Energy: 1.066488856655552
Energy: 1.1700938877048803
Energy: 1.105523899684726
Energy: 1.0664888566578388
Energy: 1.1700938877048803
Energy: 1.0664888566578388
Energy: 1.1055238996900623
Energy: 1.0664888566586013
Energy: 1.1700938877056428

minimum gb energy = 1.066488856655552 eV
minimum distance =  2.3644796751475 Angstroms
sigma value = 23