Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645777106285
cohesive_energy=4.290547094651004
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.016181394304998757
Energy: 0.16762939511163283
Energy: 0.016181394304998757
Energy: 0.16762939511163283
Energy: 0.016181394304998757
Energy: 0.16762939511163283
Energy: 0.016181394304998757
Energy: 0.016733564676788448
Energy: 0.6340330155024578
Energy: 0.016733564677196503
Energy: 0.6340330155020497
Energy: 0.016733564677196503
Energy: 0.6340330155020497
Energy: 0.016733564676425727
Energy: 0.48507572689363443
Energy: 0.5594704787822293
Energy: 0.48507572689322637
Energy: 0.5594704787822293
Energy: 1.1273412396111262
Energy: 0.5594704787822293
Energy: 1.3326171669522575
Energy: 0.016733564676788448
Energy: 0.6340330155016417
Energy: 0.016733564677196503
Energy: 0.6340330155016417
Energy: 0.016733564676425727
Energy: 0.6340330155020497
Energy: 0.016733564676788448
Energy: 0.016181394305406816
Energy: 0.16762939511127012
Energy: 0.016181394304998757
Energy: 0.16762939511163283
Energy: 0.016181394304998757
Energy: 0.16762939511127012
Energy: 0.016181394304998757
Energy: 0.016733564676788448
Energy: 0.6340330155020497
Energy: 0.016733564676788448
Energy: 0.6340330155016417
Energy: 0.016733564676788448
Energy: 0.6340330155020497
Energy: 0.016733564677196503

minimum gb energy = 0.016181394304998757 eV
minimum distance =  2.47653872646277 Angstroms
sigma value = 5


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

Energy: 1.2893300214670158
Energy: 1.263613035773043
Energy: 1.2893300214670158
Energy: 1.2636130361506328
Energy: 1.2893300214655534
Energy: 1.2636130372264165
Energy: 1.2893300214675032
Energy: 1.1947148899853817
Energy: 1.1743891470780097
Energy: 1.1947148899844067
Energy: 1.1744347581047916
Energy: 1.1947148899844067
Energy: 1.1743853543084801
Energy: 1.1947148899829445
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Energy: 1.131899774593608
Energy: 1.1831665102862683
Energy: 1.1318997745955575
Energy: 1.1381831354547134
Energy: 1.2103750353199283
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Energy: 1.2103750353223652
Energy: 1.1381831354547134
Energy: 1.2103750353199283
Energy: 1.138183135454226
Energy: 1.1361052403638132
Energy: 1.2096544093282195
Energy: 1.1361052403643006
Energy: 1.2096544093272448
Energy: 1.1361052403628382
Energy: 1.2096544093282195
Energy: 1.136105240364788
Energy: 1.1506667921162537
Energy: 1.2442679385008883
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Energy: 1.2442679385023507
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Energy: 1.2442679385013757
Energy: 1.1506667921157663
Energy: 1.2266521697782955
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Energy: 1.2266521697792705
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Energy: 1.2266521697782955
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Energy: 1.2266521697802455
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Energy: 1.1793359721694074
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Energy: 1.1793359721742815
Energy: 1.1797614226473245
Energy: 1.179335972170382
Energy: 1.179761422646837
Energy: 1.1574992702598175
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Energy: 1.1893790434048568
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Energy: 1.186155069181615
Energy: 1.227245587904017
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Energy: 1.2272455879054793
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Energy: 1.2272455879088915
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Energy: 1.1852866146270673
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Energy: 1.1544277767547702
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Energy: 1.2281218031464076
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Energy: 1.2281218031483572
Energy: 1.1774378775622283
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Energy: 1.2527815393117334
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Energy: 1.2554123003525048
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Energy: 1.2554123003520172
Energy: 1.221791394938199
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Energy: 1.1353382146172069
Energy: 1.1715436052646893
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Energy: 1.1715436052646893
Energy: 1.1353382146181816
Energy: 1.1715436052642019
Energy: 1.1353382146162319
Energy: 1.187905773176239
Energy: 1.1587307804994964
Energy: 1.1879057731723395
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Energy: 1.1879057731889122
Energy: 1.1587307805009588
Energy: 1.1879057731898872
Energy: 1.1211621579956341
Energy: 1.1693415392113728
Energy: 1.1211621579961215
Energy: 1.1693415392103979
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Energy: 1.1211621579951465
Energy: 1.1796600169047184
Energy: 1.261315011159622
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Energy: 1.2613150111615716
Energy: 1.179660016905206
Energy: 1.2613150111591345
Energy: 1.1796600169066682
Energy: 1.1872947178494182
Energy: 1.2447718288056502
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Energy: 1.1986178851718177
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Energy: 1.1230778420285694
Energy: 1.1601285188316608
Energy: 1.1230778420300318
Energy: 1.1601285188331232
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Energy: 1.1709957733851075
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Energy: 1.1709957733846201
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Energy: 1.1322382600289984
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Energy: 1.132238260028511
Energy: 1.2152054350080292
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Energy: 1.2461371955988747
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Energy: 1.246137195598387
Energy: 1.189105124406326
Energy: 1.2461371955988747
Energy: 1.1891051246737985
Energy: 1.1802009586956552
Energy: 1.2441770148777884
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Energy: 1.2441770148753513
Energy: 1.1802009586961426
Energy: 1.2441770148782758
Energy: 1.1802009586951678
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Energy: 1.2124409882434102
Energy: 1.1753912401564641
Energy: 1.2124409882424354
Energy: 1.1753912401564641
Energy: 1.2124409882434102
Energy: 1.175391240157439
Energy: 1.1221505466788937
Energy: 1.1371898622526644
Energy: 1.1221505467217887
Energy: 1.1371898622555894
Energy: 1.1221505467003412
Energy: 1.1371898622526644
Energy: 1.1221505467295434
Energy: 1.237835875069333
Energy: 1.160424779894101
Energy: 1.2378358750678706
Energy: 1.160424779895076
Energy: 1.2378358750678706
Energy: 1.1604247798906888
Energy: 1.2378358750673832
Energy: 1.1885461196213745
Energy: 1.1478250878877507
Energy: 1.1885461196233242
Energy: 1.1478250878872633
Energy: 1.1885461196233242
Energy: 1.1478250878867757
Energy: 1.1885461196218619
Energy: 1.1735540454714226
Energy: 1.2068806356963537
Energy: 1.1735540454723974
Energy: 1.2068806356953787
Energy: 1.1735540454743472
Energy: 1.2068806356948913
Energy: 1.17355404547191
Energy: 1.1584913178899146
Energy: 1.2038841828298927
Energy: 1.1584913178894272
Energy: 1.2038841828308675
Energy: 1.1584913178889398
Energy: 1.2038841828284303
Energy: 1.1584913178894272
Energy: 1.1357013272062213
Energy: 1.1836694132155035
Energy: 1.1357013272042715
Energy: 1.1836694132159908
Energy: 1.135701327205734
Energy: 1.1836694132145285
Energy: 1.1357013272037841
Energy: 1.1315320855509496
Energy: 1.1784452846586717
Energy: 1.1315320855465625
Energy: 1.1784452846596465
Energy: 1.1315320855489996
Energy: 1.1784452846591589
Energy: 1.1315320855475375
Energy: 1.156863030332969
Energy: 1.1955432748906716
Energy: 1.1568630303334564
Energy: 1.195543274892134
Energy: 1.156863030332969
Energy: 1.1955432748906716
Energy: 1.156863030332969

minimum gb energy = 1.1211621579951465 eV
minimum distance =  2.31307872255264 Angstroms
sigma value = 401


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

Energy: 1.2815528041407311
Energy: 1.2856890849327478
Energy: 1.2815528041412845
Energy: 1.2856890849321945
Energy: 1.2815528041423911
Energy: 1.2856890849321945
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Energy: 1.20071983793736
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Energy: 1.2721596578935974
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Energy: 1.2856890849316411
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Energy: 1.2856890849321945
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Energy: 1.2210798538876009
Energy: 1.2007198379390198
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Energy: 1.2007198379390198
Energy: 1.2210798538887075
Energy: 1.2007198379401263
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Energy: 1.1448450824423693
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Energy: 1.1448450824390495
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Energy: 1.2298553693396772
Energy: 1.2177207921904756
Energy: 1.2298553693402308
Energy: 1.2177207921882622
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Energy: 1.2177207921888156
Energy: 1.217602365910431
Energy: 1.2301961030465522
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Energy: 1.2301961030476591
Energy: 1.217602365910431
Energy: 1.2301961030471056
Energy: 1.2176023659093245
Energy: 1.2511441276035997
Energy: 1.251082814180078
Energy: 1.2511441276024928
Energy: 1.2510828141773116
Energy: 1.2511441276008333
Energy: 1.2510828141778652
Energy: 1.2511441276019395
Energy: 1.250833734018155
Energy: 1.2509132916194896
Energy: 1.250833734018155
Energy: 1.2509132916189363
Energy: 1.2508337340192615
Energy: 1.250913291620043
Energy: 1.2508337340187083
Energy: 1.1772737819734356
Energy: 1.228513340354918
Energy: 1.1772737819745422
Energy: 1.2285133403554713
Energy: 1.1772737819745422
Energy: 1.2285133403543644
Energy: 1.1772737819745422
Energy: 1.1771379760949339
Energy: 1.2599351151391924
Energy: 1.1771379760977005
Energy: 1.2599351151380858
Energy: 1.1771379760960408
Energy: 1.2599351151391924
Energy: 1.1771379760965939
Energy: 1.1742780889642657
Energy: 1.1776506159771447
Energy: 1.1742780889620525
Energy: 1.177650615975485
Energy: 1.1742780889637126
Energy: 1.177650615975485
Energy: 1.1742780889614992
Energy: 1.2227959340646115
Energy: 1.1977794869742588
Energy: 1.2227959340640586
Energy: 1.1977794869748124
Energy: 1.2227959340657184
Energy: 1.1977794869737057
Energy: 1.2227959340651648
Energy: 1.3168180256746789
Energy: 1.2710393909660511
Energy: 1.3168180256746789
Energy: 1.2710393909654978
Energy: 1.3168180256741255
Energy: 1.2710393909649444
Energy: 1.3168180256757855
Energy: 1.1670157387231557
Energy: 1.2180546994672088
Energy: 1.1670157387248157
Energy: 1.2180546994661021
Energy: 1.167015738723709
Energy: 1.218054699463889
Energy: 1.1670157387226023

minimum gb energy = 1.1445235514510876 eV
minimum distance =  2.3213316148082 Angstroms
sigma value = 311


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

Energy: 1.2448821760979012
Energy: 1.2376789619073378
Energy: 1.2340881904359107
Energy: 1.3282776270038095
Energy: 1.24488217609854
Energy: 1.2376789619079767
Energy: 1.2340881904359107
Energy: 1.1525030968278307
Energy: 1.1502417529778937
Energy: 1.1738229554614286
Energy: 1.217850752676851
Energy: 1.1525030968278307
Energy: 1.1502417529778937
Energy: 1.1738229554614286
Energy: 1.1999924642191964
Energy: 1.1903871269001158
Energy: 1.2001703955588152
Energy: 1.2395367221384592
Energy: 1.1999924642191964
Energy: 1.190387126898838
Energy: 1.2001703955594543
Energy: 1.255142616913617
Energy: 1.2486470112116919
Energy: 1.232816243707225
Energy: 1.2486470112123307
Energy: 1.255142616914256
Energy: 1.2486470112116919
Energy: 1.2328162437065862
Energy: 1.3202714835178062
Energy: 1.2633472025509367
Energy: 1.3199528156848876
Energy: 1.2633472025509367
Energy: 1.320271483518445
Energy: 1.2633472025515755
Energy: 1.3199528156848876
Energy: 1.2079664626282058
Energy: 1.3576004696598656
Energy: 1.2079664626282058
Energy: 1.3521740449567212
Energy: 1.2079664626288447
Energy: 1.3576004696598656
Energy: 1.2079664626282058
Energy: 1.2194075282393517
Energy: 1.3206246538860824
Energy: 1.2194075282393517
Energy: 1.3191368914839512
Energy: 1.2194075282406296
Energy: 1.3206246538873603
Energy: 1.2194075282393517
Energy: 1.2657201918599246
Energy: 1.2634670635859546
Energy: 1.2520571161243292
Energy: 1.2634670635853156
Energy: 1.2657201918612022
Energy: 1.2634670635853156
Energy: 1.2520571161243292
Energy: 1.272609809510653
Energy: 1.2680714705715077
Energy: 1.2518466264932082
Energy: 1.2680714705721468
Energy: 1.272609809510653
Energy: 1.2680714705708689
Energy: 1.2518466264944859
Energy: 1.1965706773684266
Energy: 1.2832943573387623
Energy: 1.1961563579008394
Energy: 1.283616587029251
Energy: 1.1965706773684266
Energy: 1.2832943573381235
Energy: 1.1961563578995618
Energy: 1.1996147974383446
Energy: 1.3024816355083533
Energy: 1.199739289114302
Energy: 1.3026076704376417
Energy: 1.1996147974383446
Energy: 1.3024816355089919
Energy: 1.199739289113663
Energy: 1.2659433610349509
Energy: 1.3012694957334323
Energy: 1.26594336103559
Energy: 1.3002336878643281
Energy: 1.2659433610362287
Energy: 1.3012694957334323
Energy: 1.2659433610349509
Energy: 1.2622414110707612
Energy: 1.2749113868524662
Energy: 1.262241411070122
Energy: 1.2749113868524662
Energy: 1.2622414110707612
Energy: 1.2749113868524662
Energy: 1.262241411070122
Energy: 1.198860562677551
Energy: 1.211593482633008
Energy: 1.198860562676912
Energy: 1.211593482633647
Energy: 1.198860562676912
Energy: 1.2115934826342858
Energy: 1.1988605626762732
Energy: 1.2488141655069676
Energy: 1.2060956788365433
Energy: 1.288900600198257
Energy: 1.2052040384514455
Energy: 1.2488141655063287
Energy: 1.2060956788365433
Energy: 1.2889006001988959
Energy: 1.1871101697513682
Energy: 1.2671473514476268
Energy: 1.2511215794648123
Energy: 1.267147351446988
Energy: 1.1871101697513682
Energy: 1.267147351446988
Energy: 1.2511215794641735
Energy: 1.2141043387618227
Energy: 1.2156527109733526
Energy: 1.2152009294477115
Energy: 1.1978823773088236
Energy: 1.2141043387631005
Energy: 1.2156527109746305
Energy: 1.2152009294470727
Energy: 1.2156446619935741
Energy: 1.2512891164545086
Energy: 1.2154640043653373
Energy: 1.2450357144911988
Energy: 1.2156446619935741
Energy: 1.2512891164557864
Energy: 1.2154640043653373
Energy: 1.283312941309914
Energy: 1.2752990119448278
Energy: 1.283312941309914
Energy: 1.390636395003285
Energy: 1.283312941309914
Energy: 1.2752990119441887
Energy: 1.2833129413092752
Energy: 1.2799983779993593
Energy: 1.3402857138182154
Energy: 1.2670106695281007
Energy: 1.3485460199058676
Energy: 1.2799983779987205
Energy: 1.340285713819493
Energy: 1.2670106695281007
Energy: 1.1998272051560834
Energy: 1.215333880455602
Energy: 1.1998272051567223
Energy: 1.2153338804562408
Energy: 1.1998272051567223
Energy: 1.2153338804562408
Energy: 1.1998272051567223
Energy: 1.193299107834406
Energy: 1.1943395154759036
Energy: 1.193299107834406
Energy: 1.3257671420976103
Energy: 1.193299107833128
Energy: 1.1943395154765424
Energy: 1.193299107833767
Energy: 1.2526237276251881
Energy: 1.2181069822689272
Energy: 1.3125567131353042
Energy: 1.3153977288146605
Energy: 1.2719194061162804
Energy: 1.218106982269566
Energy: 1.2762522802170941
Energy: 1.2404908351300667
Energy: 1.287183201209691
Energy: 1.2870700980109224
Energy: 1.3124981727237075
Energy: 1.2404908351300667
Energy: 1.287183201209691
Energy: 1.2870700980122
Energy: 1.1923958741589042
Energy: 1.209283359770688
Energy: 1.1926930017709618
Energy: 1.218227263725507
Energy: 1.192395874159543
Energy: 1.209283359770688
Energy: 1.1926930017709618
Energy: 1.2914348917587792
Energy: 1.2068324445640046
Energy: 1.291104071722665
Energy: 1.3232375848933917
Energy: 1.2914348917587792
Energy: 1.2068324445652825
Energy: 1.2911040717239428
Energy: 1.3136242939283849
Energy: 1.2633407288902034
Energy: 1.3140317025936044
Energy: 1.2633407288895644
Energy: 1.3136242939283849
Energy: 1.2633407288902034
Energy: 1.3140317025936044
Energy: 1.2579164256673316
Energy: 1.3421609386439646
Energy: 1.2579164256679707
Energy: 1.3361390764688525
Energy: 1.2579164256673316
Energy: 1.3421609386433255
Energy: 1.2579164256666928
Energy: 1.2094856995123042
Energy: 1.2061376263754329
Energy: 1.209485699512943
Energy: 1.206137626374794
Energy: 1.209485699513582
Energy: 1.206137626374794
Energy: 1.209485699512943
Energy: 1.2746330510965695
Energy: 1.204669869154866
Energy: 1.2342042830377293
Energy: 1.2063537509112792
Energy: 1.2746330510972086
Energy: 1.204669869155505
Energy: 1.2342042830377293
Energy: 1.2715973520886463
Energy: 1.2675545695507622
Energy: 1.251849825054609
Energy: 1.2675545695501231
Energy: 1.2715973520873685
Energy: 1.2675545695507622
Energy: 1.251849825055248
Energy: 1.2022341062556998
Energy: 1.2865660598611177
Energy: 1.2031275162170474
Energy: 1.2681532366780892
Energy: 1.2022341062563386
Energy: 1.2865660598598399
Energy: 1.2031275162164083
Energy: 1.2005327600690574
Energy: 1.2285485442822073
Energy: 1.2006459038687343
Energy: 1.2289143420042072
Energy: 1.2005327600696962
Energy: 1.2285485442828463
Energy: 1.2006459038687343
Energy: 1.2685721678715707
Energy: 1.261189226301291
Energy: 1.2685721678709316
Energy: 1.244373927292733
Energy: 1.2685721678702928
Energy: 1.2611892263006519
Energy: 1.2685721678715707
Energy: 1.3806816135602233
Energy: 1.271708796070893
Energy: 1.330949326516585
Energy: 1.2677639202029822
Energy: 1.3806816135595845
Energy: 1.271708796070893
Energy: 1.3309493265159462
Energy: 1.1971229494854443
Energy: 1.2182282404366271
Energy: 1.1971229494854443
Energy: 1.2182282404366271
Energy: 1.197122949486722
Energy: 1.218228240437266
Energy: 1.197122949486083

minimum gb energy = 1.1502417529778937 eV
minimum distance =  2.22412872182502 Angstroms
sigma value = 39


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

Energy: 1.188163182861788
Energy: 1.2273023760193282
Energy: 1.18816318286405
Energy: 1.2273023760193282
Energy: 1.188163182861788
Energy: 1.2273023760185744
Energy: 1.188163182863296
Energy: 1.2347472611090533
Energy: 1.0961266656642636
Energy: 1.2347472611082995
Energy: 1.0961266656650177
Energy: 1.2347472611098074
Energy: 1.0961266656650177
Energy: 1.2347472611098074
Energy: 1.1523738203707592
Energy: 1.1292002752357335
Energy: 1.1523738203715133
Energy: 1.1292002752342256
Energy: 1.1523738203730212
Energy: 1.1292002752349797
Energy: 1.152373820372267
Energy: 1.248302690158463
Energy: 1.0957622806661829
Energy: 1.2483026901592171
Energy: 1.095762280665429
Energy: 1.248302690158463
Energy: 1.0957622806661829
Energy: 1.2483026901592171
Energy: 1.2323715894377032
Energy: 1.0969903259655334
Energy: 1.2323715894369491
Energy: 1.0969903259662874
Energy: 1.232371589438457
Energy: 1.0969903259662874
Energy: 1.232371589438457
Energy: 1.2479804600134556
Energy: 1.1506088396520933
Energy: 1.2479804600111937
Energy: 1.1506088396520933
Energy: 1.2479804600127018
Energy: 1.1506088396520933
Energy: 1.2479804600134556
Energy: 1.2967262471532783
Energy: 1.193027041492432
Energy: 1.2967262471540324
Energy: 1.193027041492432
Energy: 1.2967262471532783
Energy: 1.193027041492432
Energy: 1.2967262471532783
Energy: 1.2169542400084015
Energy: 1.1574402488281246
Energy: 1.2169542400076474
Energy: 1.1574402488273707
Energy: 1.2169542400076474
Energy: 1.1574402488288789
Energy: 1.2169542400084015
Energy: 1.2529696238907588
Energy: 1.1577890702297204
Energy: 1.252969623892267
Energy: 1.1577890702282125
Energy: 1.252969623891513
Energy: 1.1577890702282125
Energy: 1.2529696238907588
Energy: 1.154639884374182
Energy: 1.2030713009345804
Energy: 1.154639884374936
Energy: 1.2030713009345804
Energy: 1.154639884374936
Energy: 1.2030713009353344
Energy: 1.154639884374936
Energy: 1.2340373766632562
Energy: 1.1973458664595193
Energy: 1.2340373766640103
Energy: 1.1973458664595193
Energy: 1.2340373766632562
Energy: 1.1973458664602734
Energy: 1.2340373766640103
Energy: 1.1519430345025263
Energy: 1.0957429251890969
Energy: 1.1519430345002641
Energy: 1.095742925188343
Energy: 1.151943034501018
Energy: 1.0957429251890969
Energy: 1.1519430345025263
Energy: 1.187826002507116
Energy: 1.1119535494909623
Energy: 1.1878260025063618
Energy: 1.1119535494909623
Energy: 1.1878260025078702
Energy: 1.1119535494917163
Energy: 1.1878260025078702
Energy: 1.1546872764639322
Energy: 1.096289624321819
Energy: 1.1546872764631781
Energy: 1.096289624321065
Energy: 1.1546872764631781
Energy: 1.096289624321819
Energy: 1.1546872764639322
Energy: 1.3183701398898533
Energy: 1.15890323187889
Energy: 1.2670266921461841
Energy: 1.15890323187889
Energy: 1.3183701398898533
Energy: 1.158903231879644
Energy: 1.267026692144676
Energy: 1.154640483218935
Energy: 1.1504354576931743
Energy: 1.1546404832174266
Energy: 1.1504354576939284
Energy: 1.1546404832174266
Energy: 1.1504354576924205
Energy: 1.154640483218935
Energy: 1.2668403061631888
Energy: 1.1573337316139312
Energy: 1.2668403060802813
Energy: 1.1573337316139312
Energy: 1.2668403062573723
Energy: 1.157333731614685
Energy: 1.2668403061631888
Energy: 1.2143062743146051
Energy: 1.1575081951206911
Energy: 1.2143062743146051
Energy: 1.1575081951214454
Energy: 1.214306274315359
Energy: 1.1575081951221993
Energy: 1.2143062743146051
Energy: 1.2176948805445764
Energy: 1.1857794870428984
Energy: 1.257850490036226
Energy: 1.1857794870436524
Energy: 1.2324446593795826
Energy: 1.1857794870413905
Energy: 1.2324446593788285
Energy: 1.1545249667144424
Energy: 1.2018642540581812
Energy: 1.154524966712934
Energy: 1.2018642540574274
Energy: 1.154524966712934
Energy: 1.2018642540589353
Energy: 1.154524966713688
Energy: 1.2299244066300665
Energy: 1.0964255011286739
Energy: 1.2299244066308206
Energy: 1.0964255011279198
Energy: 1.2299244066308206
Energy: 1.0964255011279198
Energy: 1.2299244066293125
Energy: 1.1527460434215397
Energy: 1.0956260823838497
Energy: 1.1527460434215397
Energy: 1.095626082384604
Energy: 1.1527460434215397
Energy: 1.0956260823838497
Energy: 1.1527460434222936
Energy: 1.2769227249070134
Energy: 1.1314401832987264
Energy: 1.2769227249070134
Energy: 1.1314401832987264
Energy: 1.2769227249062594
Energy: 1.1314401832987264
Energy: 1.3470662265840077
Energy: 1.2328793732426109
Energy: 1.0954803619790892
Energy: 1.232879373243365
Energy: 1.0954803619783353
Energy: 1.2328793732441188
Energy: 1.0954803619775813
Energy: 1.232879373243365
Energy: 1.2486010037999276
Energy: 1.1523338138356707
Energy: 1.2486010037991735
Energy: 1.1523338138349164
Energy: 1.2486010037991735
Energy: 1.1523338138356707
Energy: 1.2486010037991735
Energy: 1.2358251697586642
Energy: 1.1514504980813873
Energy: 1.2358251697594183
Energy: 1.1514504980813873
Energy: 1.2358251697579101
Energy: 1.1514504980806335
Energy: 1.2358251697586642
Energy: 1.212816457924894
Energy: 1.1813423911625156
Energy: 1.212816457924894
Energy: 1.1813423911617615
Energy: 1.21281645792414
Energy: 1.1813423911617615
Energy: 1.212816457923386
Energy: 1.234955910207693
Energy: 1.1589174396285467
Energy: 1.234955910206939
Energy: 1.1589174396293007
Energy: 1.234955910206185
Energy: 1.1589174396285467
Energy: 1.2349559102054308
Energy: 1.188163182861034
Energy: 1.2273023760193282
Energy: 1.1881631828625419
Energy: 1.2273023760193282
Energy: 1.188163182861034
Energy: 1.2273023760193282
Energy: 1.1881631828625419
Energy: 1.2347472611090533
Energy: 1.0961266656642636
Energy: 1.2347472611090533
Energy: 1.0961266656642636
Energy: 1.2347472611098074
Energy: 1.0961266656650177
Energy: 1.2347472611098074

minimum gb energy = 1.0954803619775813 eV
minimum distance =  2.28537774247851 Angstroms
sigma value = 21


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

Energy: 1.1387741005382168
Energy: 1.1242688952419941
Energy: 1.1387741005382168
Energy: 1.1242688952419941
Energy: 1.1387741005382168
Energy: 1.1242688952419941
Energy: 1.1387741005382168
Energy: 1.089834199338284
Energy: 1.0659106616017116
Energy: 1.0898341993364533
Energy: 1.0659106616007963
Energy: 1.0898341993373686
Energy: 1.0659106616017116
Energy: 1.0898341993373686
Energy: 1.1121130221092084
Energy: 1.0959321608800257
Energy: 1.1121130221092084
Energy: 1.095932160880941
Energy: 1.1121130221082929
Energy: 1.0959321608800257
Energy: 1.1121130221092084
Energy: 1.0417225614729373
Energy: 1.05253254444531
Energy: 1.0417225614729373
Energy: 1.0525325443364468
Energy: 1.0417225614729373
Energy: 1.0525325444261087
Energy: 1.0417225614729373
Energy: 1.011779553745856
Energy: 1.0536626415228854
Energy: 1.011779553745856
Energy: 1.05366264152197
Energy: 1.011779553745856
Energy: 1.05366264152197
Energy: 1.011779553745856
Energy: 1.0247137610807295
Energy: 1.0935618472970003
Energy: 1.024713761079814
Energy: 1.0935618472970003
Energy: 1.024713761079814
Energy: 1.0935618472970003
Energy: 1.024713761079814
Energy: 0.9703463980842791
Energy: 1.0052277604017676
Energy: 0.9703463980833639
Energy: 1.0052280188379956
Energy: 0.9703463980842791
Energy: 1.005227839190494
Energy: 0.9703463980842791
Energy: 0.9863945234564537
Energy: 1.0715780653878924
Energy: 0.9863945234564537
Energy: 1.0715780653869773
Energy: 0.9863945234555386
Energy: 1.0715780653869773
Energy: 0.9863945234564537
Energy: 1.042386492043933
Energy: 1.0248138353478669
Energy: 1.042386492043933
Energy: 1.0248138353478669
Energy: 1.042386492043933
Energy: 1.0248138353469514
Energy: 1.042386492043933
Energy: 1.041958400444534
Energy: 1.2440203591009367
Energy: 1.0419584004454494
Energy: 1.2440203591009367
Energy: 1.0419584004454494
Energy: 1.244020359101852
Energy: 1.041958400444534
Energy: 0.9705290510079833
Energy: 1.071487565608339
Energy: 0.9705290510079833
Energy: 1.071487565608339
Energy: 0.9705290510079833
Energy: 1.071487565608339
Energy: 0.9705290510079833
Energy: 0.986174997062333
Energy: 1.0771328813938417
Energy: 0.986174997062333
Energy: 1.0771328813938417
Energy: 0.986174997062333
Energy: 1.0771328813938417
Energy: 0.9861749970632484
Energy: 1.042377466086494
Energy: 1.0248368224629498
Energy: 1.042377466086494
Energy: 1.0248368224638653
Energy: 1.042377466086494
Energy: 1.0248368224638653
Energy: 1.042377466086494
Energy: 1.0631683646955914
Energy: 1.0537048242921827
Energy: 1.0631683646965069
Energy: 1.053704824290352
Energy: 1.0631683646955914
Energy: 1.053704824293098
Energy: 1.0631683646965069
Energy: 1.0888557387128068
Energy: 1.071483140158713
Energy: 1.0888557378637442
Energy: 1.071483140158713
Energy: 1.0888557405152388
Energy: 1.071483140158713
Energy: 1.0888557390074218
Energy: 1.090660838144838
Energy: 1.0330332454612368
Energy: 1.090660838144838
Energy: 1.0330332454612368
Energy: 1.0906608381457532
Energy: 1.0330332454630464
Energy: 1.090660838144838
Energy: 1.1054212598922826
Energy: 1.0567720727277603
Energy: 1.105421259893198
Energy: 1.0567720727286756
Energy: 1.1054212598922826
Energy: 1.0567720727277603
Energy: 1.105421259893198
Energy: 1.0962095484089442
Energy: 1.0537369921927635
Energy: 1.0962095484080288
Energy: 1.0537369921900173
Energy: 1.0962095484080288
Energy: 1.053736992194594
Energy: 1.0962095484080288
Energy: 1.003628993048446
Energy: 1.071706060780915
Energy: 1.0036290065437419
Energy: 1.0717060607818305
Energy: 1.003629000739395
Energy: 1.071706060780915
Energy: 1.0036289936879994
Energy: 0.9860647143710705
Energy: 1.024420421259862
Energy: 0.9860647143719858
Energy: 1.024420421259862
Energy: 0.9860647143710705
Energy: 1.024420421259862
Energy: 0.9860647143710705
Energy: 1.0420324365935671
Energy: 1.0251916513820596
Energy: 1.0420324365935671
Energy: 1.0251916513335673
Energy: 1.0420324365935671
Energy: 1.0251916515723674
Energy: 1.0420324365935671
Energy: 0.9705655098471758
Energy: 1.0318536615461291
Energy: 0.9705655098471758
Energy: 1.0318536615479599
Energy: 0.9705655098471758
Energy: 1.0318536615442984
Energy: 0.9705655098471758
Energy: 0.9711333434105615
Energy: 1.0716392963494525
Energy: 0.9711333434105615
Energy: 1.0716392963494525
Energy: 0.9711333434105615
Energy: 1.0716392963503676
Energy: 0.9711333434105615
Energy: 1.041401909075501
Energy: 1.0242190846174226
Energy: 1.041401909075501
Energy: 1.0242190846174226
Energy: 1.0414019090773314
Energy: 1.0242190846174226
Energy: 1.041401909075501
Energy: 1.042204133855572
Energy: 1.0099594852413525
Energy: 1.0422041338546566
Energy: 1.0099594852404372
Energy: 1.042204133855572
Energy: 1.0099594852413525
Energy: 1.0422041338546566

minimum gb energy = 0.9703463980833639 eV
minimum distance =  2.32854021510865 Angstroms
sigma value = 113


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

Energy: 0.9923597405211382
Energy: 1.206643475517242
Energy: 0.9923597405247142
Energy: 1.206643475517242
Energy: 0.9923597405206274
Energy: 1.2066434755177526
Energy: 0.9923597405242034
Energy: 1.0056962088453614
Energy: 0.9583070871472946
Energy: 1.0056962088417856
Energy: 0.9583070871442297
Energy: 1.0056962088458725
Energy: 0.9583070871467838
Energy: 1.0056962088428072
Energy: 0.9994340525929382
Energy: 0.9761391869422136
Energy: 0.999434052593449
Energy: 0.9761391869401701
Energy: 0.9994340525939598
Energy: 0.9761391869411917
Energy: 0.9994340525939598
Energy: 0.954451084197176
Energy: 0.9454764050930826
Energy: 0.9544510841961542
Energy: 0.9454764050951261
Energy: 0.9544510841981976
Energy: 0.9454764050941044
Energy: 0.9544510841976868
Energy: 0.9254530510732274
Energy: 1.0685042957662894
Energy: 0.92545305107476
Energy: 1.0685042957662894
Energy: 0.92545305107476
Energy: 1.0685042957657787
Energy: 0.9254530510768034
Energy: 0.9421996683594065
Energy: 0.9582896384099633
Energy: 0.9421996683588956
Energy: 0.958289638411496
Energy: 0.9421996683594065
Energy: 0.9582896384084306
Energy: 0.9421996683594065
Energy: 0.9313124622472396
Energy: 0.9329432243949931
Energy: 0.9313124622487722
Energy: 0.9329432244909868
Energy: 0.9313124622472396
Energy: 0.9329432243965256
Energy: 0.9313124622482614
Energy: 0.9456753806675027
Energy: 0.9144433199607913
Energy: 0.9456753806664808
Energy: 0.9144433199613021
Energy: 0.9456753806675027
Energy: 0.9144433199597696
Energy: 0.94567538066597
Energy: 0.9362657715334171
Energy: 1.0180360597402858
Energy: 0.9362657715349496
Energy: 1.0180360597372207
Energy: 0.9362657715329062
Energy: 1.0180360597397748
Energy: 0.9362657715364823
Energy: 0.9558341453796625
Energy: 0.9192445639116286
Energy: 0.955834145381195
Energy: 0.9192445639146938
Energy: 0.9558341453796625
Energy: 0.919244563913672
Energy: 0.955834145381195
Energy: 0.891918053604806
Energy: 0.9040896231103381
Energy: 0.891918053602252
Energy: 0.904089623110849
Energy: 0.891918053602252
Energy: 0.9040896231098272
Energy: 0.8919180536042952
Energy: 0.9306402760820384
Energy: 0.9238191540805493
Energy: 0.9306402760815278
Energy: 0.9238191540831034
Energy: 0.9306402760820384
Energy: 0.9238191540810601
Energy: 0.9306402760820384
Energy: 0.861568075127295
Energy: 1.0906438979788158
Energy: 0.8615680751288275
Energy: 1.0906438979829027
Energy: 0.8615680751293383
Energy: 1.0906438979793265
Energy: 0.8615680751267842
Energy: 0.9177199475984631
Energy: 0.9212134332195123
Energy: 0.9177199475989739
Energy: 0.9212134332179798
Energy: 0.9177199475979523
Energy: 0.9212134332190015
Energy: 0.9177199475984631
Energy: 0.9221870476319475
Energy: 0.8880838139467356
Energy: 0.9221870476304149
Energy: 0.888083813826221
Energy: 0.9221870476319475
Energy: 0.8880838138859907
Energy: 0.9221870476304149
Energy: 0.9168970036882081
Energy: 1.0895490347293444
Energy: 0.9168970036861647
Energy: 1.0895490347273011
Energy: 0.9168970036876972
Energy: 1.0895490347293444
Energy: 0.9168970036866755
Energy: 0.8611140941075086
Energy: 0.9118373484374398
Energy: 0.8611140941054652
Energy: 0.9118373484384615
Energy: 0.8611140941049543
Energy: 0.9118373484374398
Energy: 0.861114094110063
Energy: 0.9202872803062366
Energy: 0.923836564005627
Energy: 0.9202872803067474
Energy: 0.9238365640046053
Energy: 0.9202872803077691
Energy: 0.9238365640051162
Energy: 0.9202872803057258
Energy: 0.924219758126902
Energy: 0.88790730011802
Energy: 0.9242197581274129
Energy: 0.8879073001839198
Energy: 0.9242197581284346
Energy: 0.8879073001231285
Energy: 0.9242197581284346
Energy: 0.9224558618192283
Energy: 1.0012359105212654
Energy: 0.9224558618187174
Energy: 1.001235910522798
Energy: 0.9224558618217827
Energy: 1.001235910522287
Energy: 0.9224558618202501
Energy: 0.9249381004095287
Energy: 0.9011703488815745
Energy: 0.9249381004100395
Energy: 0.901170348882596
Energy: 0.9249381004110611
Energy: 0.9011703488815745
Energy: 0.9249381004100395
Energy: 0.9359034968504202
Energy: 0.8840681111546725
Energy: 0.9359034968493984
Energy: 0.8840682122329022
Energy: 0.9359034968483767
Energy: 0.8840681356764007
Energy: 0.9359034968483767
Energy: 0.925306950546293
Energy: 0.9004359575754093
Energy: 0.9253069505473147
Energy: 0.9004359575759201
Energy: 0.9253069505468038
Energy: 0.9004359575774528
Energy: 0.9253069505468038
Energy: 0.9141151522635327
Energy: 0.9532424322933727
Energy: 0.9141151522676196
Energy: 0.9532424322954159
Energy: 0.9141151522701737
Energy: 0.9532424322923508
Energy: 0.9141151522839205
Energy: 1.0196145909553083
Energy: 0.938926346681806
Energy: 1.0196145909537757
Energy: 0.9389263466833386
Energy: 1.0196145909558192
Energy: 0.938926346681806
Energy: 1.0196145909537757
Energy: 0.9900875175486769
Energy: 0.9421793356336813
Energy: 0.9900875175496987
Energy: 0.9421793356331705
Energy: 0.9900875175491878
Energy: 0.9421793356347031
Energy: 0.9900875175491878
Energy: 0.9931495209711402
Energy: 0.9376699488777315
Energy: 0.9931495209680752
Energy: 0.9376699488573437
Energy: 0.9931495209690969
Energy: 0.9376699488619413
Energy: 0.9931495209716511
Energy: 0.976378922279476
Energy: 1.156734685404889
Energy: 0.9763789222861169
Energy: 1.156734685404889
Energy: 0.9763789223815998
Energy: 1.1567346854059108
Energy: 0.9763789222881604
Energy: 1.0789060436196571
Energy: 0.9537325692936437
Energy: 1.0789060436196571
Energy: 0.9537325693457042
Energy: 1.0789060436191462
Energy: 0.9537325693308895
Energy: 1.0789060436191462
Energy: 0.9862426922581944
Energy: 0.9423385435933053
Energy: 0.9862426922581944
Energy: 0.942338543594327
Energy: 0.9862426922576836
Energy: 0.9423385435922835
Energy: 0.9862426922566618
Energy: 0.9283398671072794
Energy: 0.9452079973281684
Energy: 0.9283398671067685
Energy: 0.9452079973307226
Energy: 0.9283398671067685
Energy: 0.9452079973261249
Energy: 0.928339867104725
Energy: 0.9140845434356388
Energy: 1.1273118916790619
Energy: 0.9140845435719434
Energy: 1.1273118916785512
Energy: 0.9140845435867581
Energy: 1.1273118916790619
Energy: 0.9140845435596828
Energy: 0.9122574786129214
Energy: 0.9579299246011928
Energy: 0.9122574785404268
Energy: 0.9579299246011928
Energy: 0.9122574785613252
Energy: 0.9579299246011928
Energy: 0.9122574784867874
Energy: 0.9161104795280054
Energy: 0.8835720485981857
Energy: 0.9161104795285163
Energy: 0.8835720485976749
Energy: 0.9161104795274945
Energy: 0.8835720486002291
Energy: 0.916110479529538
Energy: 0.9437790630364609
Energy: 0.9146230612639605
Energy: 0.9437790630369717
Energy: 0.9146230612639605
Energy: 0.9437790630379935
Energy: 0.9146230612634497
Energy: 0.9437790630385043
Energy: 0.9007907976487172
Energy: 1.0821843008975385
Energy: 0.9007907976466737
Energy: 1.0821843008944734
Energy: 0.9007907976482064
Energy: 1.0821843008975385
Energy: 0.9007907976471846
Energy: 0.9253985138055794
Energy: 0.9198610789115685
Energy: 0.9253985138081336
Energy: 0.9198610789110577
Energy: 0.9253985138071119
Energy: 0.9198610789115685
Energy: 0.9253985138096663
Energy: 0.9077001910761492
Energy: 0.8935597034723809
Energy: 0.9077001910761492
Energy: 0.8935597034734024
Energy: 0.9077001910756383
Energy: 0.8935597034739133
Energy: 0.9077001910746166
Energy: 0.9280293866720107
Energy: 0.8998272012719416
Energy: 0.9280293866720107
Energy: 0.8998272012719416
Energy: 0.9280293866720107
Energy: 0.8998272012709199
Energy: 0.9280293866720107
Energy: 0.875591072707007
Energy: 1.066137263163815
Energy: 0.875591072706496
Energy: 1.0661372631627932
Energy: 0.8755910727085395
Energy: 1.066137263163304
Energy: 0.8755910727085395
Energy: 0.917552138772272
Energy: 0.9198738969863498
Energy: 0.9175521387692068
Energy: 0.9198738969837954
Energy: 0.9175521387717611
Energy: 0.9198738969843063
Energy: 0.9175521387692068
Energy: 0.9211795110169494
Energy: 0.8910867579312247
Energy: 0.9211795110179709
Energy: 0.8910867579281595
Energy: 0.9211795110169494
Energy: 0.8910867579312247
Energy: 0.9211795110179709
Energy: 0.9184704902809723
Energy: 1.0863836259538828
Energy: 0.9184704902814831
Energy: 1.0863836259523503
Energy: 0.9184704902814831
Energy: 1.0863836259538828
Energy: 0.9184704902819476
Energy: 0.8754120179995056
Energy: 0.9003984883149553
Energy: 0.8754120179989948
Energy: 0.9003984883180204
Energy: 0.8754120180010383
Energy: 0.9003984883144445
Energy: 0.8754120180005275
Energy: 0.9175934748561037
Energy: 0.9288811487288965
Energy: 0.9175934748561037
Energy: 0.9288811487283856
Energy: 0.9175934748561037
Energy: 0.9288811487294074
Energy: 0.9175934748561037

minimum gb energy = 0.8611140941049543 eV
minimum distance =  2.30834598990093 Angstroms
sigma value = 365


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

Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 1.7594288949708203
Energy: 1.075455257832427
Energy: 1.759428894971972
Energy: 1.0754552578335788
Energy: 1.7594288949696688
Energy: 1.075455257832427
Energy: 1.7658467379190772
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.33804196677311416
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 2.627414736888743
Energy: 1.075455257832427
Energy: 2.6274147334798417
Energy: 1.0754552578335788
Energy: 2.627414745773072
Energy: 1.075455257832427
Energy: 2.5188305451726154
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 1.7594288949708203
Energy: 1.075455257832427
Energy: 1.7594288949696688
Energy: 1.075455257832427
Energy: 1.759428894971972
Energy: 1.0754552578335788
Energy: 1.7658860985733504
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 1.9347496292842983
Energy: 1.075455257832427
Energy: 1.934749629782783
Energy: 1.075455257832427
Energy: 1.9347496293061819
Energy: 1.075455257832427
Energy: 1.9347496292750836
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 1.759428894971972
Energy: 1.0754552578335788
Energy: 1.759428894971972
Energy: 1.075455257832427
Energy: 1.759428894971972
Energy: 1.0754552578335788
Energy: 1.7658088598632256
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768286344
Energy: 0.33804196677311416
Energy: 0.32507388768286344
Energy: 1.934749629318825
Energy: 1.075455257832427
Energy: 1.9347496292831463
Energy: 1.075455257832427
Energy: 1.9347496293545303
Energy: 1.0754552578335788
Energy: 1.9347496292681732
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 1.9347496293165216
Energy: 1.0754552578335788
Energy: 1.9347496292681732
Energy: 1.0754552578335788
Energy: 1.9347496294627453
Energy: 1.0754552578335788
Energy: 1.9347496292727802
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.33804196677311416
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 1.9347496293119144
Energy: 1.075455257832427
Energy: 1.9347496296262197
Energy: 1.075455257832427
Energy: 1.9347496293856026
Energy: 1.075455257832427
Energy: 1.9347496292739321
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768286344
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 1.934749630115516
Energy: 1.075455257832427
Energy: 1.9347496295099418
Energy: 1.0754552578335788
Energy: 1.9347496292981192
Energy: 1.075455257832427
Energy: 1.9347496292935122
Energy: 0.32507388768401524
Energy: 0.33804196677311416
Energy: 0.32507388768401524
Energy: 0.3380419667719624
Energy: 0.32507388768401524
Energy: 0.33804196677311416
Energy: 0.32507388768286344
Energy: 1.9347496292808428
Energy: 1.075455257832427
Energy: 1.9347496292819943
Energy: 1.075455257832427
Energy: 1.9347496292773874
Energy: 1.075455257832427
Energy: 1.9347496295548356

minimum gb energy = 0.32507388768286344 eV
minimum distance =  2.3147811910193 Angstroms
sigma value = 23