Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_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=2.863645806908607
cohesive_energy=4.290547094411586
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: 0.016181394184328818
Energy: 0.16762937536424083
Energy: 0.0161813941839661
Energy: 0.1676293753646489
Energy: 0.016181394184328818
Energy: 0.1676293753646489
Energy: 0.016181394184328818
Energy: 0.01673529137096899
Energy: 0.634032611245556
Energy: 0.016735291370560935
Energy: 0.6340326112451933
Energy: 0.01673529137096899
Energy: 0.634032611245556
Energy: 0.016735291370560935
Energy: 0.016581375081487448
Energy: 0.559470641557457
Energy: 0.016581375081079392
Energy: 0.559470641557457
Energy: 0.016581375081487448
Energy: 0.5594706415570715
Energy: 0.016581375081487448
Energy: 0.016735291370560935
Energy: 0.634032611245556
Energy: 0.01673529137019822
Energy: 0.634032611245556
Energy: 0.01673529137019822
Energy: 0.634032611245556
Energy: 0.01673529137019822
Energy: 0.016181394184328818
Energy: 0.1676293753646489
Energy: 0.0161813941839661
Energy: 0.1676293753646489
Energy: 0.016181394184328818
Energy: 0.1676293753646489
Energy: 0.016181394184328818
Energy: 0.01673529137019822
Energy: 0.634032611245556
Energy: 0.01673529137019822
Energy: 0.634032611245556
Energy: 0.016735291369790167
Energy: 0.634032611245556
Energy: 0.01673529137019822

minimum gb energy = 0.0161813941839661 eV
minimum distance =  2.47653274369432 Angstroms
sigma value = 5


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

Energy: 1.289451427054966
Energy: 1.2637767637759734
Energy: 1.2894514270569157
Energy: 1.2637767651650487
Energy: 1.2894514270544786
Energy: 1.2637767631625503
Energy: 1.2894514270564281
Energy: 1.1949180308549074
Energy: 1.1893821749968678
Energy: 1.1949180308563698
Energy: 1.1893821749978426
Energy: 1.1949180308544198
Energy: 1.1893821749978426
Energy: 1.1949180308553948
Energy: 1.1645263733021876
Energy: 1.2083294701857061
Energy: 1.1645263733017002
Energy: 1.2083294701847314
Energy: 1.1645263733060873
Energy: 1.2083294701861937
Energy: 1.1645263733060873
Energy: 1.138179023939908
Energy: 1.229574080745479
Energy: 1.1381790239413703
Energy: 1.229574080746941
Energy: 1.1381790239403957
Energy: 1.2295740807473843
Energy: 1.1381790239418579
Energy: 1.1361021175802226
Energy: 1.237470739911209
Energy: 1.13610211758071
Energy: 1.2374707399121838
Energy: 1.1361021175802226
Energy: 1.2374707399126714
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Energy: 1.1508530215785442
Energy: 1.2442596917283182
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Energy: 1.2442596917297803
Energy: 1.1508530215780568
Energy: 1.2442596917278308
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Energy: 1.2462630508371597
Energy: 1.2266202019434906
Energy: 1.246263050837603
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Energy: 1.2462630508371597
Energy: 1.226620201943978
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Energy: 1.261971930694472
Energy: 1.2044232502292453
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Energy: 1.1793251204317337
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Energy: 1.16599398615095
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Energy: 1.189379976854276
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Energy: 1.1635253993104069
Energy: 1.1660786201297924
Energy: 1.1635253993099195
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Energy: 1.163525399312844
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Energy: 1.2178958385405
Energy: 1.2272052463907428
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Energy: 1.2272052463878182
Energy: 1.217895838539525
Energy: 1.227205246389768
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Energy: 1.1852863223469066
Energy: 1.1543562141699122
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Energy: 1.2142519451111198
Energy: 1.2513199921409888
Energy: 1.2142519451125817
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Energy: 1.160915434841379
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Energy: 1.276784400557808
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Energy: 1.2809903123028008
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Energy: 1.2809903123023132
Energy: 1.2366980973405168
Energy: 1.2809903122993886
Energy: 1.2366980973405168
Energy: 1.1694265447134256
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Energy: 1.206715794783436
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Energy: 1.1878168053063405
Energy: 1.1587061659055446
Energy: 1.1878168053292502
Energy: 1.1587061659040825
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Energy: 1.1587061659079818
Energy: 1.1878168053165767
Energy: 1.1211609579002637
Energy: 1.169339181829213
Energy: 1.1211609578978265
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Energy: 1.1693391818297003
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Energy: 1.2783220999340743
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Energy: 1.1869857421376706
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Energy: 1.1962912355481348
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Energy: 1.1887364416621753
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Energy: 1.2073857855288375
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Energy: 1.2073857855293249
Energy: 1.134515879724075
Energy: 1.1322339027247357
Energy: 1.240013796880768
Energy: 1.1322339027257105
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Energy: 1.1322339027247357
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Energy: 1.223592346000451
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Energy: 1.2235923460028881
Energy: 1.189213541382581
Energy: 1.2461292401601891
Energy: 1.1892135413859932
Energy: 1.2461292401592141
Energy: 1.189213541382581
Energy: 1.2461292401592141
Energy: 1.189213541381606
Energy: 1.2051565494195182
Energy: 1.262210001143021
Energy: 1.2051565494200058
Energy: 1.2622100011425337
Energy: 1.2051565494209806
Energy: 1.262210001143996
Energy: 1.205156549422443
Energy: 1.2067562819082602
Energy: 1.2308814796300218
Energy: 1.2067562819092352
Energy: 1.2308814796285594
Energy: 1.2067562819072852
Energy: 1.2308814796305092
Energy: 1.2067562819087476
Energy: 1.1221413434687282
Energy: 1.1371804998382797
Energy: 1.1221413433371632
Energy: 1.1371804998363297
Energy: 1.1221413433892753
Energy: 1.1371804998382797
Energy: 1.1221413433308265
Energy: 1.2378255951437045
Energy: 1.1604451312061073
Energy: 1.2378255951422423
Energy: 1.1604451312407156
Energy: 1.2378255951417547
Energy: 1.160445131232429
Energy: 1.2378255951427297
Energy: 1.1885612885881351
Energy: 1.1475408462394614
Energy: 1.1885612885861854
Energy: 1.1475408462394614
Energy: 1.18856128858911
Energy: 1.1475408462384864
Energy: 1.1885612885861854
Energy: 1.241901574429281
Energy: 1.2069289045977352
Energy: 1.241901574429281
Energy: 1.2069289045991973
Energy: 1.2419015744297681
Energy: 1.2069289045982226
Energy: 1.2419015744312305
Energy: 1.204358741541151
Energy: 1.221184957534588
Energy: 1.2043587415416386
Energy: 1.2211849575336133
Energy: 1.2043587415440757
Energy: 1.2211849575380003
Energy: 1.204358741542126
Energy: 1.1724563650621513
Energy: 1.1836663136170509
Energy: 1.172456365064101
Energy: 1.1836663136170509
Energy: 1.1724563650645883
Energy: 1.1836663136165635
Energy: 1.1724563650606887
Energy: 1.164511966520453
Energy: 1.178443138015565
Energy: 1.1645119665219152
Energy: 1.1784431380165399
Energy: 1.1645119665243526
Energy: 1.178443138015565
Energy: 1.1645119665224026
Energy: 1.1568556934244603
Energy: 1.195568027838084
Energy: 1.1568556934244603
Energy: 1.1955680278405212
Energy: 1.1568556934239729
Energy: 1.1955680278385716
Energy: 1.1568556934244603

minimum gb energy = 1.1211609578978265 eV
minimum distance =  2.31298126933438 Angstroms
sigma value = 401


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

Energy: 1.3169051534314085
Energy: 1.2710275948519438
Energy: 1.3169051534314085
Energy: 1.2710275948508376
Energy: 1.316905153431962
Energy: 1.2710275948524974
Energy: 1.3169051534314085
Energy: 1.1682053469210163
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Energy: 1.1682053469221227
Energy: 1.178762000383179
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Energy: 1.2304962559975958
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Energy: 1.2710275948519438
Energy: 1.3169051534325151
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Energy: 1.2165727832496425
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Energy: 1.3150294396599238
Energy: 1.1445182180385647
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Energy: 1.273360315616707
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Energy: 1.2733603156178135
Energy: 1.1448398943810512
Energy: 1.217707547154972
Energy: 1.230496256001469
Energy: 1.2177075471555256
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Energy: 1.2177879364068351
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Energy: 1.2177879364073887
Energy: 1.230200152372979
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Energy: 1.2177879364079418
Energy: 1.2158930963401724
Energy: 1.2733247103321101
Energy: 1.2158930963379595
Energy: 1.2733247103321101
Energy: 1.215893096335746
Energy: 1.2733247103337701
Energy: 1.2158930963385126
Energy: 1.2163146804281515
Energy: 1.2732366572880893
Energy: 1.2163146804275982
Energy: 1.2732366572880893
Energy: 1.2163146804281515
Energy: 1.2732366572886424
Energy: 1.2163146804275982
Energy: 1.1692060023210293
Energy: 1.2285098200004867
Energy: 1.1692060023215824
Energy: 1.2285098199999336
Energy: 1.1692060023220856
Energy: 1.2285098200004867
Energy: 1.1692060023199227
Energy: 1.1693376935000706
Energy: 1.2599315292611506
Energy: 1.169337693499517
Energy: 1.2599315292622573
Energy: 1.1693376935006239
Energy: 1.2599315292611506
Energy: 1.1693376935000706
Energy: 1.1742841408161415
Energy: 1.1776467566756332
Energy: 1.174284140813375
Energy: 1.1776467566778464
Energy: 1.1742841408155882
Energy: 1.17764675667674
Energy: 1.1742841408139284
Energy: 1.1772882937124969
Energy: 1.1973767280572654
Energy: 1.1772882937136033
Energy: 1.1973767280567122
Energy: 1.1772882937124969
Energy: 1.1973767280567122
Energy: 1.1772882937136033
Energy: 1.2886658956305435
Energy: 1.2246970899018732
Energy: 1.2886658956327566
Energy: 1.22469708990132
Energy: 1.2886658956316497
Energy: 1.2246970899018732
Energy: 1.2886658956310966
Energy: 1.1336650908212806
Energy: 1.2167984408575212
Energy: 1.1336650908218338
Energy: 1.2167984408569679
Energy: 1.1336650908212806
Energy: 1.216798440855308
Energy: 1.1336650908218338

minimum gb energy = 1.1336650908212806 eV
minimum distance =  2.32077595395363 Angstroms
sigma value = 311


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

Energy: 1.233983238832538
Energy: 1.300203758658031
Energy: 1.1908169096630215
Energy: 1.2376833660162287
Energy: 1.2339832388312602
Energy: 1.30020375865867
Energy: 1.1908169096630215
Energy: 1.1738010231619262
Energy: 1.1522349226281265
Energy: 1.1495467713478633
Energy: 1.1502413613405504
Energy: 1.1738010231612874
Energy: 1.1522349226287654
Energy: 1.1495467713465854
Energy: 1.1621284320639862
Energy: 1.2190078446510269
Energy: 1.1621041045148952
Energy: 1.2317158454599275
Energy: 1.1621284320659029
Energy: 1.2190078446510269
Energy: 1.162104104516173
Energy: 1.191912834443339
Energy: 1.2486451846822892
Energy: 1.2389550158688756
Energy: 1.2486451846822892
Energy: 1.19191283444209
Energy: 1.2486451846816504
Energy: 1.238955015867598
Energy: 1.2801445110365295
Energy: 1.263347326516763
Energy: 1.28004167627908
Energy: 1.2633473265148463
Energy: 1.2801445110371685
Energy: 1.263347326515485
Energy: 1.28004167627908
Energy: 1.2079633604774789
Energy: 1.3522128593794007
Energy: 1.207963360478118
Energy: 1.35760178570958
Energy: 1.207963360478118
Energy: 1.3522128593806784
Energy: 1.2079633604768403
Energy: 1.2194011399357936
Energy: 1.3191358848583314
Energy: 1.2194011399351548
Energy: 1.3206233768278937
Energy: 1.2194011399351548
Energy: 1.3191358848583314
Energy: 1.2194011399351548
Energy: 1.252048514344354
Energy: 1.2662782556013903
Energy: 1.2520485143462705
Energy: 1.2662782556007515
Energy: 1.2520485143449929
Energy: 1.2662782556013903
Energy: 1.252048514344354
Energy: 1.2518479709096235
Energy: 1.2681817827394948
Energy: 1.2518479709096235
Energy: 1.2681817827394948
Energy: 1.2518479709083457
Energy: 1.2681817827407726
Energy: 1.2518479709089847
Energy: 1.149010237246139
Energy: 1.231738470058089
Energy: 1.1490137544827597
Energy: 1.2354574970832102
Energy: 1.149010237246139
Energy: 1.2317384700574503
Energy: 1.1490137544840373
Energy: 1.152456658809391
Energy: 1.254757794611909
Energy: 1.1524907151719819
Energy: 1.2547299373043448
Energy: 1.152456658809391
Energy: 1.254757794611909
Energy: 1.1524907151719819
Energy: 1.2659326353278566
Energy: 1.264915063104152
Energy: 1.2659326353265787
Energy: 1.264915063104791
Energy: 1.2659326353272176
Energy: 1.2649150631035133
Energy: 1.2659326353272176
Energy: 1.2622762483307992
Energy: 1.2749084872504415
Energy: 1.2622762483301602
Energy: 1.2749084872504415
Energy: 1.2622762483295213
Energy: 1.2749084872510805
Energy: 1.2622762483301602
Energy: 1.1988607192660456
Energy: 1.2115933801724623
Energy: 1.1988607192660456
Energy: 1.2115933801731014
Energy: 1.1988607192660456
Energy: 1.2115933801731014
Energy: 1.1988607192660456
Energy: 1.28875515075503
Energy: 1.2052026714612252
Energy: 1.248825884901511
Energy: 1.2060929728589926
Energy: 1.2887551507556692
Energy: 1.2052026714631419
Energy: 1.2488258849008722
Energy: 1.2481854199162594
Energy: 1.2671630173343382
Energy: 1.1871760904135082
Energy: 1.2671630173336994
Energy: 1.2481854199162594
Energy: 1.2671630173343382
Energy: 1.1871760904135082
Energy: 1.162711240279211
Energy: 1.1978787408040037
Energy: 1.1570853777555536
Energy: 1.2156435653821271
Energy: 1.162711240278572
Energy: 1.1978787408033649
Energy: 1.1570853777555536
Energy: 1.1605755071306472
Energy: 1.224989074301626
Energy: 1.160595501281494
Energy: 1.2297961299794984
Energy: 1.1605755071306472
Energy: 1.2249890743009872
Energy: 1.1605955012802165
Energy: 1.282561214113874
Energy: 1.3906374067083038
Energy: 1.2825612141125962
Energy: 1.2753000855062007
Energy: 1.2659515354915498
Energy: 1.3906374067089426
Energy: 1.2833112997582632
Energy: 1.2518040312062246
Energy: 1.3208359328301709
Energy: 1.2518040312055858
Energy: 1.3052761698994355
Energy: 1.2518040312055858
Energy: 1.3208359328301709
Energy: 1.251804031204947
Energy: 1.1998256531692237
Energy: 1.2153348729234479
Energy: 1.1998256531692237
Energy: 1.2153348729234479
Energy: 1.1998256531692237
Energy: 1.2153348729240867
Energy: 1.199825653168585
Energy: 1.1932977575174335
Energy: 1.2742791692953983
Energy: 1.1932977575187114
Energy: 1.2742791692953983
Energy: 1.1932977575180725
Energy: 1.2742791692953983
Energy: 1.1932977575187114
Energy: 1.3125927944585094
Energy: 1.2523765546814964
Energy: 1.2676814449652833
Energy: 1.2180964885434094
Energy: 1.2763243042654897
Energy: 1.2523765546827743
Energy: 1.2356056241334614
Energy: 1.2870204585329217
Energy: 1.308545013410795
Energy: 1.2338289234909972
Energy: 1.2871805243687682
Energy: 1.2870204585335605
Energy: 1.3085450134082683
Energy: 1.2338289234916362
Energy: 1.1566530907663826
Energy: 1.1981154946404335
Energy: 1.161903694629183
Energy: 1.1992521055305805
Energy: 1.1566530907670216
Energy: 1.1981154946404335
Energy: 1.161903694629183
Energy: 1.2584967383493704
Energy: 1.2947452568618198
Energy: 1.2583845931162552
Energy: 1.303514469191734
Energy: 1.2584967383493704
Energy: 1.294745256861181
Energy: 1.2583845931156163
Energy: 1.1744307644696732
Energy: 1.2632307677891925
Energy: 1.2407282719288808
Energy: 1.2632307677885537
Energy: 1.2096618736873912
Energy: 1.2632307677879147
Energy: 1.2714511009090474
Energy: 1.2579168962488416
Energy: 1.3361379263528772
Energy: 1.2579168962488416
Energy: 1.3423708069921185
Energy: 1.2579168962482028
Energy: 1.3361379263515993
Energy: 1.2579168962494804
Energy: 1.2094818921233892
Energy: 1.2061362551367494
Energy: 1.2094818921227504
Energy: 1.2061362551367494
Energy: 1.2094818921227504
Energy: 1.2061362551373882
Energy: 1.2094818921227504
Energy: 1.2341958067851502
Energy: 1.2705212185388424
Energy: 1.2341958067845114
Energy: 1.2705212185375645
Energy: 1.2341958067838723
Energy: 1.2705212185369257
Energy: 1.2341958067838723
Energy: 1.203103730599297
Energy: 1.267550151842931
Energy: 1.2031037305986585
Energy: 1.26755015184357
Energy: 1.2031037305986585
Energy: 1.26755015184357
Energy: 1.2582633850871632
Energy: 1.153802484245834
Energy: 1.2291608594447176
Energy: 1.1537666999456142
Energy: 1.2485279468348505
Energy: 1.1538024842445562
Energy: 1.2291608594440788
Energy: 1.1537666999462532
Energy: 1.1508205309829693
Energy: 1.1697334446685395
Energy: 1.1507033133441287
Energy: 1.1696486575502862
Energy: 1.1508205309829693
Energy: 1.1697334446679006
Energy: 1.1507033133441287
Energy: 1.2686578094694394
Energy: 1.3168668262712258
Energy: 1.2686578094681618
Energy: 1.3168668262712258
Energy: 1.2686578094681618
Energy: 1.3168668262705867
Energy: 1.2686578094681618
Energy: 1.3053438414114482
Energy: 1.3115078491759184
Energy: 1.3053248772865065
Energy: 1.2713088063193219
Energy: 1.3053438414114482
Energy: 1.3115078491765282
Energy: 1.3053248772858674
Energy: 1.1961057610688868
Energy: 1.218208757314013
Energy: 1.1961057610701646
Energy: 1.218208757314652
Energy: 1.1961057610701646
Energy: 1.218208757314652
Energy: 1.1961057610695258

minimum gb energy = 1.149010237246139 eV
minimum distance =  2.22157797744545 Angstroms
sigma value = 39


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

Energy: 1.1881361746745764
Energy: 1.2273166957574169
Energy: 1.1881361746730685
Energy: 1.2273166957581712
Energy: 1.1881361746738226
Energy: 1.2273166957581712
Energy: 1.1881361746738226
Energy: 1.2347464573264737
Energy: 1.0961248001657071
Energy: 1.2347464573272278
Energy: 1.0961248001657071
Energy: 1.2347464573272278
Energy: 1.096124800166461
Energy: 1.2347464573264737
Energy: 1.1523726460204773
Energy: 1.129199504942925
Energy: 1.1523726460197232
Energy: 1.129199504942925
Energy: 1.1523726460189694
Energy: 1.129199504942925
Energy: 1.1523726460204773
Energy: 1.2483150425634266
Energy: 1.0957610901297392
Energy: 1.2483150425641805
Energy: 1.095761090130493
Energy: 1.2483150425634266
Energy: 1.0957610901297392
Energy: 1.2483150425634266
Energy: 1.2312475624049486
Energy: 1.0969899247564323
Energy: 1.2312475624064565
Energy: 1.0969899247556782
Energy: 1.2312475624064565
Energy: 1.0969899247564323
Energy: 1.2312475624064565
Energy: 1.2479797422708396
Energy: 1.1506092449890013
Energy: 1.2479797422700858
Energy: 1.1506092449890013
Energy: 1.2479797422700858
Energy: 1.1506092449897554
Energy: 1.2479797422700858
Energy: 1.1750202724387189
Energy: 1.1928008728471782
Energy: 1.175020272431933
Energy: 1.1928008728471782
Energy: 1.1750202724221308
Energy: 1.192800872848686
Energy: 1.2607200245784234
Energy: 1.217152975678085
Energy: 1.157286965942048
Energy: 1.2171529756773307
Energy: 1.157286965942048
Energy: 1.2171529756773307
Energy: 1.1572869659428018
Energy: 1.217152975678839
Energy: 1.2529699788087132
Energy: 1.1578016039974075
Energy: 1.2529699788079594
Energy: 1.1578016039974075
Energy: 1.2529699788087132
Energy: 1.1578016039981616
Energy: 1.2529699788094673
Energy: 1.154653452650583
Energy: 1.2029696821186986
Energy: 1.154653452651337
Energy: 1.2029696821194529
Energy: 1.154653452651337
Energy: 1.2029696821202067
Energy: 1.154653452650583
Energy: 1.2186917443707004
Energy: 1.1972177059772906
Energy: 1.2536028587800196
Energy: 1.1972177059765368
Energy: 1.2340370404932812
Energy: 1.1972177059757827
Energy: 1.2340370404932812
Energy: 1.1519510152494268
Energy: 1.0957421327862458
Energy: 1.151951015248673
Energy: 1.0957421327862458
Energy: 1.1519510152494268
Energy: 1.0957421327854917
Energy: 1.1519510152494268
Energy: 1.1878222013338697
Energy: 1.1119519411637058
Energy: 1.1878222013323616
Energy: 1.11195194116446
Energy: 1.1878222013316075
Energy: 1.111951941165214
Energy: 1.1878222013331157
Energy: 1.154692267290216
Energy: 1.0962889829944256
Energy: 1.1546922672894617
Energy: 1.0962889829936717
Energy: 1.1546922672894617
Energy: 1.0962889829929177
Energy: 1.1546922672894617
Energy: 1.2216064827380215
Energy: 1.1589034653224144
Energy: 1.221606482764412
Energy: 1.1589034653216606
Energy: 1.221606482753856
Energy: 1.1589034653216606
Energy: 1.320674035167618
Energy: 1.1546433126945954
Energy: 1.1504335107872918
Energy: 1.1546433126938411
Energy: 1.150433510786538
Energy: 1.154643312693087
Energy: 1.150433510786538
Energy: 1.1546433126938411
Energy: 1.264444430696983
Energy: 1.1573313392500222
Energy: 1.2644444306977374
Energy: 1.15733133925153
Energy: 1.2644444306954752
Energy: 1.1573313392507762
Energy: 1.264444430696983
Energy: 1.2141424696016156
Energy: 1.157234269097371
Energy: 1.2141424696016156
Energy: 1.1572342690958628
Energy: 1.2141424696023695
Energy: 1.157234269095109
Energy: 1.2141424696023695
Energy: 1.1735784971016814
Energy: 1.1858930836057757
Energy: 1.1735784970866008
Energy: 1.1858930836042674
Energy: 1.1735784971092216
Energy: 1.1858930836057757
Energy: 1.1735784971280376
Energy: 1.1545250372722058
Energy: 1.201766320437866
Energy: 1.1545250372722058
Energy: 1.2017663204371118
Energy: 1.1545250372729599
Energy: 1.201766320437866
Energy: 1.154525037273714
Energy: 1.2299254857966722
Energy: 1.0964248434646697
Energy: 1.2299254857981803
Energy: 1.0964248434646697
Energy: 1.2299254857981803
Energy: 1.0964248434639157
Energy: 1.2299254857981803
Energy: 1.1527475384253147
Energy: 1.0956247396736098
Energy: 1.1527475384253147
Energy: 1.0956247396751178
Energy: 1.1527475384253147
Energy: 1.095624739674364
Energy: 1.1527475384238068
Energy: 1.2292022091408368
Energy: 1.1314356551037748
Energy: 1.2292022091438528
Energy: 1.1314356551045286
Energy: 1.2292022091446069
Energy: 1.1314356551067906
Energy: 1.229202209142345
Energy: 1.2328786638222093
Energy: 1.0954793394298812
Energy: 1.2328786638222093
Energy: 1.0954793394298812
Energy: 1.2328786638229632
Energy: 1.0954793394298812
Energy: 1.2328786638214553
Energy: 1.248599698371508
Energy: 1.1523279020284662
Energy: 1.2485996983707541
Energy: 1.1523279020277122
Energy: 1.248599698371508
Energy: 1.1523279020284662
Energy: 1.248599698371508
Energy: 1.235825525861755
Energy: 1.1514631386564016
Energy: 1.235825525861755
Energy: 1.1514631386564016
Energy: 1.235825525861755
Energy: 1.1514631386571554
Energy: 1.2358255258625088
Energy: 1.212811674076636
Energy: 1.1813489187953545
Energy: 1.212811674075882
Energy: 1.1813489187946005
Energy: 1.212811674076636
Energy: 1.1813489187961086
Energy: 1.212811674075882
Energy: 1.2349552679325382
Energy: 1.158741742353144
Energy: 1.2349552679325382
Energy: 1.15874174235239
Energy: 1.2349552679332925
Energy: 1.158741742353144
Energy: 1.2349552679325382
Energy: 1.1881361746730685
Energy: 1.2273166957581712
Energy: 1.1881361746730685
Energy: 1.227316695758925
Energy: 1.1881361746745764
Energy: 1.2273166957574169
Energy: 1.1881361746723147
Energy: 1.2347464573264737
Energy: 1.0961248001657071
Energy: 1.2347464573264737
Energy: 1.0961248001657071
Energy: 1.2347464573264737
Energy: 1.0961248001672153
Energy: 1.2347464573257194

minimum gb energy = 1.0954793394298812 eV
minimum distance =  2.28537836372577 Angstroms
sigma value = 21


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

Energy: 1.1391783431403364
Energy: 1.1242096194656168
Energy: 1.139178343139421
Energy: 1.1242096194665323
Energy: 1.1391783431403364
Energy: 1.1242096194656168
Energy: 1.1391783431403364
Energy: 1.089646469279078
Energy: 1.0659042093244624
Energy: 1.0896464692799932
Energy: 1.0659042093253779
Energy: 1.0896464692799932
Energy: 1.0659042093244624
Energy: 1.089646469279078
Energy: 1.1121337828037487
Energy: 1.0958284624715602
Energy: 1.1121337828037487
Energy: 1.0958284624715602
Energy: 1.1121337828037487
Energy: 1.0958284624715602
Energy: 1.1121337828037487
Energy: 1.041630394011931
Energy: 1.0523608429653049
Energy: 1.0416303940128464
Energy: 1.0523608367593105
Energy: 1.041630394011931
Energy: 1.0523608422791106
Energy: 1.0416303940128464
Energy: 1.0117762637371222
Energy: 1.053659907918358
Energy: 1.0117762637371222
Energy: 1.053659907918358
Energy: 1.0117762637371222
Energy: 1.053659907918358
Energy: 1.0117762637371222
Energy: 1.0247057565679194
Energy: 1.093562785193698
Energy: 1.024705756568835
Energy: 1.0935627851945926
Energy: 1.0247057565679194
Energy: 1.0935627851945926
Energy: 1.0247057565679194
Energy: 0.9703367279575825
Energy: 1.0052011014012159
Energy: 0.9703367279575825
Energy: 1.0052011563302545
Energy: 0.9703367279575825
Energy: 1.005201241826373
Energy: 0.9703367279575825
Energy: 0.986380352846112
Energy: 1.0715793454541591
Energy: 0.986380352846112
Energy: 1.0715793454541591
Energy: 0.986380352846112
Energy: 1.0715793454541591
Energy: 0.986380352846112
Energy: 1.042384864788748
Energy: 1.024811146911408
Energy: 1.0423848647878329
Energy: 1.0248111469104926
Energy: 1.0423848647878329
Energy: 1.024811146911408
Energy: 1.0423848647878329
Energy: 1.041953966946878
Energy: 1.2440305102717106
Energy: 1.041953966946878
Energy: 1.2440305102717106
Energy: 1.041953966946878
Energy: 1.2440305102717106
Energy: 1.041953966946878
Energy: 0.9705196573717928
Energy: 1.071488118680023
Energy: 0.9705196573727082
Energy: 1.071488118680023
Energy: 0.9705196573717928
Energy: 1.071488118680023
Energy: 0.9705196573717928
Energy: 0.986173182327392
Energy: 1.0771324675432397
Energy: 0.9861731823283074
Energy: 1.0771324675432397
Energy: 0.9861731823283074
Energy: 1.0771324675432397
Energy: 0.9861731823283074
Energy: 1.042215284024943
Energy: 1.0248341242389736
Energy: 1.042215284024943
Energy: 1.0248341242389736
Energy: 1.042215284025858
Energy: 1.0248341242389736
Energy: 1.042215284024943
Energy: 1.0633684538343648
Energy: 1.053867278842648
Energy: 1.06336845383528
Energy: 1.0538672788435635
Energy: 1.06336845383528
Energy: 1.0538672788417327
Energy: 1.06336845383528
Energy: 1.088829712487956
Energy: 1.0714841635556362
Energy: 1.088829712917064
Energy: 1.0714841635556362
Energy: 1.0888297125263795
Energy: 1.0714841635565515
Energy: 1.0888297125153956
Energy: 1.0906737624924372
Energy: 1.0331300881528331
Energy: 1.0906737624933525
Energy: 1.0331300881528331
Energy: 1.0906737624933525
Energy: 1.0331300881537484
Energy: 1.0906737624933525
Energy: 1.1054129746240562
Energy: 1.0567714302938327
Energy: 1.1054129746240562
Energy: 1.0567714302938327
Energy: 1.1054129746240562
Energy: 1.0567714302938327
Energy: 1.1054129746240562
Energy: 1.0961680773247828
Energy: 1.0535972125330968
Energy: 1.0961680773238673
Energy: 1.0535972125321815
Energy: 1.0961680773238673
Energy: 1.0535972125321815
Energy: 1.0961680773238673
Energy: 1.0035928484676606
Energy: 1.0717060378461067
Energy: 1.0035935159256162
Energy: 1.0717060378461067
Energy: 1.0035936415251536
Energy: 1.0717060378461067
Energy: 1.00359301306449
Energy: 0.9859622089422697
Energy: 1.0244202970001166
Energy: 0.9859622089422697
Energy: 1.0244202970010319
Energy: 0.9859622089413544
Energy: 1.0244202970001166
Energy: 0.9859622089422697
Energy: 1.0420293074258302
Energy: 1.0251852051520476
Energy: 1.0420293074258302
Energy: 1.0251852044804781
Energy: 1.0420293074258302
Energy: 1.025185207288413
Energy: 1.0420293074258302
Energy: 0.9705565614606547
Energy: 1.0318274265441474
Energy: 0.9705565614606547
Energy: 1.0318274265441474
Energy: 0.9705565614606547
Energy: 1.0318274265450624
Energy: 0.9705565614597395
Energy: 0.9666379430027404
Energy: 1.0716380522183202
Energy: 0.9666379430128093
Energy: 1.0716380522183202
Energy: 0.9666379430091478
Energy: 1.0716380522183202
Energy: 0.9666379429990792
Energy: 1.04139759310184
Energy: 1.0242178046131085
Energy: 1.04139759310184
Energy: 1.0242178046140238
Energy: 1.04139759310184
Energy: 1.0242178046140238
Energy: 1.0413975931027555
Energy: 1.0422009077295034
Energy: 1.009958943610579
Energy: 1.0422009077295034
Energy: 1.009958943610579
Energy: 1.0422009077295034
Energy: 1.009958943610579
Energy: 1.0422009077295034

minimum gb energy = 0.9666379429990792 eV
minimum distance =  2.32852458289972 Angstroms
sigma value = 113


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

Energy: 0.9928061850703337
Energy: 1.2070743024475032
Energy: 0.9928061850693121
Energy: 1.2070743024485249
Energy: 0.9928061850703337
Energy: 1.2070743024475032
Energy: 0.9928061850688011
Energy: 1.0057053930341782
Energy: 0.9582417745256204
Energy: 1.0057053930341782
Energy: 0.9582417745235771
Energy: 1.0057053930341782
Energy: 0.9582417745266423
Energy: 1.005705393034689
Energy: 0.9995540718441618
Energy: 0.9761458517798779
Energy: 0.9995540718410968
Energy: 0.9761458517783456
Energy: 0.999554071843651
Energy: 0.9761458517798779
Energy: 0.9995540718416077
Energy: 0.9545882266085175
Energy: 0.9452324824623926
Energy: 0.9545882266085175
Energy: 0.945232482463925
Energy: 0.9545882266085175
Energy: 0.9452324824618817
Energy: 0.9545882266085175
Energy: 0.9254350275286458
Energy: 1.0684401421078569
Energy: 0.9254350275276242
Energy: 1.0684401421088787
Energy: 0.9254350275286458
Energy: 1.068440142107346
Energy: 0.9254350275286458
Energy: 0.9421989118535353
Energy: 0.9582565585217723
Energy: 0.9421989118525137
Energy: 0.9582565585207505
Energy: 0.9421989118535353
Energy: 0.9582565585197288
Energy: 0.9421989118520028
Energy: 0.9313028081248883
Energy: 0.9328652373742208
Energy: 0.9313028081208015
Energy: 0.932865237354855
Energy: 0.9313028081243775
Energy: 0.9328652373803512
Energy: 0.9313028081218231
Energy: 0.9456747987470485
Energy: 0.9144433859787019
Energy: 0.9456747987496029
Energy: 0.914443385981767
Energy: 0.9456747987465377
Energy: 0.9144433859787019
Energy: 0.9456747987480704
Energy: 0.9362549758375078
Energy: 1.0178007188331908
Energy: 0.9362549758354644
Energy: 1.0178007188331908
Energy: 0.9362549758380186
Energy: 1.0178007188321687
Energy: 0.9362549758344426
Energy: 0.9558304134695859
Energy: 0.9204723005828965
Energy: 0.9558304134695859
Energy: 0.9204723005864727
Energy: 0.9558304134690749
Energy: 0.9204723005818751
Energy: 0.9558304134690749
Energy: 0.8918896371199779
Energy: 0.9040779248776728
Energy: 0.8918896371204887
Energy: 0.9040779248761401
Energy: 0.891889637119467
Energy: 0.9040779248786944
Energy: 0.8918896371225322
Energy: 0.9306399064438463
Energy: 0.9238188954807173
Energy: 0.9306399064438463
Energy: 0.923818895478163
Energy: 0.9306399064433354
Energy: 0.9238188954796954
Energy: 0.9306399064443571
Energy: 0.8615673027591917
Energy: 1.0906561302739992
Energy: 0.8615673027566374
Energy: 1.0906561302755318
Energy: 0.8615673027586809
Energy: 1.0906561302750208
Energy: 0.8615673027632784
Energy: 0.9177260737015305
Energy: 0.9212138942529561
Energy: 0.917726073700509
Energy: 0.9212138942549994
Energy: 0.917726073700509
Energy: 0.9212138942539778
Energy: 0.917726073700509
Energy: 0.9221875912289356
Energy: 0.888082770608381
Energy: 0.922187591230979
Energy: 0.888082770816205
Energy: 0.9221875912294465
Energy: 0.8880827761711405
Energy: 0.9221875912304682
Energy: 0.9168946149172787
Energy: 1.089573857619922
Energy: 0.9168946149182541
Energy: 1.0895738576204328
Energy: 0.9168946149197866
Energy: 1.089573857619922
Energy: 0.9168946149182541
Energy: 0.8611172931566349
Energy: 0.9118366977604393
Energy: 0.861117293165273
Energy: 0.9118366977594177
Energy: 0.8611172931561241
Energy: 0.9118366977609502
Energy: 0.8611172931581208
Energy: 0.9202839616366084
Energy: 0.9238266885443116
Energy: 0.9202839616366084
Energy: 0.9238266885489094
Energy: 0.9202839616376302
Energy: 0.9238266885483986
Energy: 0.9202839616366084
Energy: 0.9242187384601419
Energy: 0.8879065781513616
Energy: 0.9242187384596311
Energy: 0.8879065781554484
Energy: 0.9242187384606064
Energy: 0.8879065781559593
Energy: 0.9242187384606064
Energy: 0.9224501171569153
Energy: 1.0008733141092259
Energy: 0.9224501171564045
Energy: 1.0008733141092259
Energy: 0.9224501171584477
Energy: 1.000873314107693
Energy: 0.9224501171564045
Energy: 0.9249235303902276
Energy: 0.901170004579037
Energy: 0.9249235303907382
Energy: 0.9011700045805696
Energy: 0.9249235303897168
Energy: 0.9011700045785261
Energy: 0.9249235303907382
Energy: 0.9359048878070205
Energy: 0.8843464874028479
Energy: 0.9359048878049773
Energy: 0.8843463620724363
Energy: 0.9359048878059989
Energy: 0.8843462238595005
Energy: 0.9359048878054881
Energy: 0.9253052593920336
Energy: 0.9004857320248671
Energy: 0.9253052593925444
Energy: 0.9004857320233348
Energy: 0.9253052593910117
Energy: 0.9004857320253781
Energy: 0.9253052593935661
Energy: 0.9141016605434248
Energy: 0.9529647353883245
Energy: 0.9141016605623263
Energy: 0.9529647354020708
Energy: 0.9141016604938722
Energy: 0.9529647354199507
Energy: 0.9141016605158387
Energy: 1.0194549331337395
Energy: 0.9389133730995197
Energy: 1.0194549331327178
Energy: 0.9389133731061609
Energy: 1.0194549331337395
Energy: 0.9389133731010523
Energy: 1.0194549331327178
Energy: 0.9897203987218725
Energy: 0.9423132559344901
Energy: 0.9897203987239157
Energy: 0.9423132559380197
Energy: 0.989720398722383
Energy: 0.9423132559344901
Energy: 0.9897203987208506
Energy: 0.9930802427009422
Energy: 0.9373411501216843
Energy: 0.9930802427050289
Energy: 0.9373411501023184
Energy: 0.9930802427040074
Energy: 0.9373411500951665
Energy: 0.9930802427055399
Energy: 0.97631359135646
Energy: 1.1567042683711553
Energy: 0.9763135913381158
Energy: 1.1567042683686009
Energy: 0.9763135913830243
Energy: 1.1567042683711553
Energy: 0.9763135916347815
Energy: 1.0788847588625654
Energy: 0.9535868010910994
Energy: 1.078884758864098
Energy: 0.9535868010921211
Energy: 1.0788847588625654
Energy: 0.9535868010895667
Energy: 1.0788847588630763
Energy: 0.986370203038778
Energy: 0.9424671114729382
Energy: 0.9863702030377561
Energy: 0.9424671114760033
Energy: 0.9863702030377561
Energy: 0.9424671114770251
Energy: 0.9863702030372453
Energy: 0.9283610669723997
Energy: 0.9488121482592259
Energy: 0.9283610669693345
Energy: 0.9488121482566716
Energy: 0.9283610669723997
Energy: 0.9488121482582041
Energy: 0.9283610669693345
Energy: 0.9140751419820983
Energy: 1.127307860634912
Energy: 0.914075141979544
Energy: 1.1273078606344011
Energy: 0.91407514198312
Energy: 1.1273078606344011
Energy: 0.9140751419851635
Energy: 0.9123361040044882
Energy: 0.9579146911997911
Energy: 0.9123361040090857
Energy: 0.9579146912013234
Energy: 0.9123361040060207
Energy: 0.9579146912003018
Energy: 0.912336104001423
Energy: 0.9163079594095148
Energy: 0.8835826117810006
Energy: 0.916307959409004
Energy: 0.8835826117743595
Energy: 0.9163079594095148
Energy: 0.8835826117774247
Energy: 0.9163079594105366
Energy: 0.9437871229615381
Energy: 0.9145938707312006
Energy: 0.9437871229620489
Energy: 0.9145938707317114
Energy: 0.9437871229605165
Energy: 0.9145938707322222
Energy: 0.9437871229605165
Energy: 0.9007796137485619
Energy: 1.0822150507062218
Energy: 0.9007796137490724
Energy: 1.0822150507052
Energy: 0.9007796137495834
Energy: 1.082215050705711
Energy: 0.9007796137495834
Energy: 0.92542051799349
Energy: 0.9198616426695816
Energy: 0.9254205179909358
Energy: 0.9198616426685599
Energy: 0.9254205179873598
Energy: 0.9198616426695816
Energy: 0.9254205179919576
Energy: 0.9076952969631523
Energy: 0.8935551558230331
Energy: 0.9076952969646849
Energy: 0.8935551558260982
Energy: 0.9076952969626414
Energy: 0.8935551558266092
Energy: 0.907695296964174
Energy: 0.9280298395229158
Energy: 0.900056616623697
Energy: 0.9280298395218941
Energy: 0.9000566166211427
Energy: 0.9280298395234267
Energy: 0.9000566166216535
Energy: 0.9280298395218941
Energy: 0.8755881447668874
Energy: 1.0659373798203682
Energy: 0.8755881447699524
Energy: 1.065937379819346
Energy: 0.8755881447668874
Energy: 1.0659373798208789
Energy: 0.8755881447704633
Energy: 0.9175512022997585
Energy: 0.9198746928180831
Energy: 0.9175512023007804
Energy: 0.9198746928191047
Energy: 0.9175512022997585
Energy: 0.9198746928180831
Energy: 0.9175512022997585
Energy: 0.9212008115839003
Energy: 0.8910852878055455
Energy: 0.9212008115844112
Energy: 0.8910852878060563
Energy: 0.9212008115839003
Energy: 0.8910852878075888
Energy: 0.9212008115844112
Energy: 0.918468944816524
Energy: 1.0863863450911806
Energy: 0.9184689448160132
Energy: 1.086386345090159
Energy: 0.918468944816524
Energy: 1.0863863450911806
Energy: 0.9184689448155023
Energy: 0.8754105879252296
Energy: 0.9004074660464532
Energy: 0.8754105879277837
Energy: 0.9004074660479857
Energy: 0.8754105879257404
Energy: 0.9004074660469641
Energy: 0.8754105879262513
Energy: 0.9175942396589262
Energy: 0.9288810599366717
Energy: 0.9175942396604588
Energy: 0.9288810599382041
Energy: 0.9175942396584155
Energy: 0.9288810599366717
Energy: 0.9175942396609696

minimum gb energy = 0.8611172931561241 eV
minimum distance =  2.30833310798679 Angstroms
sigma value = 365


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

Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.9347495102725059
Energy: 1.075455186580195
Energy: 1.934749510209184
Energy: 1.0754551865790432
Energy: 1.9347495102137913
Energy: 1.075455186580195
Energy: 1.9347495104440424
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.9347495101930592
Energy: 1.075455186580195
Energy: 1.9347495103334977
Energy: 1.0754551865790432
Energy: 1.9347495108297055
Energy: 1.0754551865790432
Energy: 1.9347495101861485
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.3380419431626559
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.9347495102828458
Energy: 1.0754551865790432
Energy: 1.93474951133052
Energy: 1.0754551865790432
Energy: 1.9347495101930592
Energy: 1.0754551865790432
Energy: 1.934749510768687
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.9347495102218273
Energy: 1.0754551865790432
Energy: 1.9347495102206758
Energy: 1.0754551865790432
Energy: 1.9347495107606247
Energy: 1.075455186580195
Energy: 1.9347495108446784
Energy: 0.3250738634892239
Energy: 0.3380419431626559
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.3380419431626559
Energy: 0.3250738634892239
Energy: 1.934749510610972
Energy: 1.0754551865790432
Energy: 1.934749510496998
Energy: 1.0754551865790432
Energy: 1.9347495106604724
Energy: 1.0754551865790432
Energy: 1.9347495102529257
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.3380419431626559
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.32507386348807216
Energy: 1.9347495102034251
Energy: 1.0754551865790432
Energy: 1.9347495103139438
Energy: 1.075455186580195
Energy: 1.934749510342712
Energy: 1.0754551865790432
Energy: 1.9347495108043926
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.934749510204577
Energy: 1.075455186580195
Energy: 1.934749510204577
Energy: 1.0754551865790432
Energy: 1.9347495102943635
Energy: 1.075455186580195
Energy: 1.9347495101907557
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.9347495102080325
Energy: 1.0754551865790432
Energy: 1.9347495104820251
Energy: 1.0754551865790432
Energy: 1.934749510400275
Energy: 1.0754551865790432
Energy: 1.9347495105729633
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.3380419431626559
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.9347495102298902
Energy: 1.0754551865790432
Energy: 1.9347495102057286
Energy: 1.075455186580195
Energy: 1.9347495105867845
Energy: 1.0754551865790432
Energy: 1.9347495102770866
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 0.33804194316380765
Energy: 0.3250738634892239
Energy: 1.9347495101930592
Energy: 1.0754551865790432
Energy: 1.9347495106017578
Energy: 1.0754551865790432
Energy: 1.9347495102126395
Energy: 1.0754551865790432
Energy: 1.934749510210336

minimum gb energy = 0.32507386348807216 eV
minimum distance =  2.31478469820581 Angstroms
sigma value = 23