Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_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=2.863657340407371
cohesive_energy=4.290337440834254
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: 0.016182212546384418
Energy: 0.4205864774172198
Energy: 0.016182212546384418
Energy: 0.42058647741762784
Energy: 0.016182212546384418
Energy: 0.42058647741563293
Energy: 0.01618221254674713
Energy: 0.016823105273729346
Energy: 0.6363771142980839
Energy: 0.016823105273729346
Energy: 0.636377114298492
Energy: 0.016823105273729346
Energy: 0.636377114298492
Energy: 0.016823105273729346
Energy: 0.016542447004966206
Energy: 0.5614834725877639
Energy: 0.016542447004966206
Energy: 0.5614834725869705
Energy: 0.016542447004966206
Energy: 0.5614834725885572
Energy: 0.016542447004966206
Energy: 0.016823105273729346
Energy: 0.636377114298492
Energy: 0.016823105273729346
Energy: 0.6363771142980839
Energy: 0.016823105273729346
Energy: 0.636377114298492
Energy: 0.016823105273729346
Energy: 0.016182212546384418
Energy: 0.4205864774172198
Energy: 0.016182212546384418
Energy: 0.4205864774124592
Energy: 0.016182212546384418
Energy: 0.42058647741563293
Energy: 0.016182212546384418
Energy: 0.016823105273729346
Energy: 0.6363771142976758
Energy: 0.016823105274137395
Energy: 0.6363771142976758
Energy: 0.016823105273729346
Energy: 0.6363771142980839
Energy: 0.016823105273729346

minimum gb energy = 0.016182212546384418 eV
minimum distance =  2.47609455339447 Angstroms
sigma value = 5


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

Energy: 1.3763129536097805
Energy: 1.5832108879535935
Energy: 1.3763129536102678
Energy: 1.5832108879516438
Energy: 1.3763129536107552
Energy: 1.5832108879511564
Energy: 1.3763129536078307
Energy: 1.2696021859032462
Energy: 1.2795138516886189
Energy: 1.2696021858579145
Energy: 1.2795138516876439
Energy: 1.2696021859290805
Energy: 1.2795138516876439
Energy: 1.2696021858287128
Energy: 1.1656317943074128
Energy: 1.2227417298568481
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Energy: 1.2227417298568481
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Energy: 1.1648180757198805
Energy: 1.2640596656037053
Energy: 1.1648180757208555
Energy: 1.2640596656017558
Energy: 1.164818075719393
Energy: 1.2640596656041927
Energy: 1.1648180757208555
Energy: 1.1628072339994537
Energy: 1.254916135234527
Energy: 1.1628072339994537
Energy: 1.2549161352335523
Energy: 1.1628072339989663
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Energy: 1.1628072339994537
Energy: 1.3122817730071246
Energy: 1.316242555750191
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Energy: 1.316242555750191
Energy: 1.3122817729330782
Energy: 1.3162425557497035
Energy: 1.312281772936003
Energy: 1.3119387415418835
Energy: 1.2747672475363008
Energy: 1.3119387415409085
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Energy: 1.2078067617905854
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Energy: 1.207806761790098
Energy: 1.2705135983898967
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Energy: 1.2705135983894094
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Energy: 1.2704338314748553
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Energy: 1.2026223110433452
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Energy: 1.2794299991870317
Energy: 1.1719343797896575
Energy: 1.2794299991967806
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Energy: 1.2794299991841072
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Energy: 1.2240855159312412
Energy: 1.1621406905490577
Energy: 1.2780396639302514
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Energy: 1.2278257075229377
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Energy: 1.2278257075214754
Energy: 1.2780396639302514
Energy: 1.1863755739534787
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Energy: 1.1863755739525037
Energy: 1.2379718270502014
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Energy: 1.2176215322296704
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Energy: 1.2247766474965038
Energy: 1.3905361875140871
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Energy: 1.2247766474960164
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Energy: 1.1715126631116608
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Energy: 1.2052013233909318
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Energy: 1.1952778469607055
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Energy: 1.2670759609980036
Energy: 1.212792620884888
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Energy: 1.2803575990863116
Energy: 1.2954189425976164
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Energy: 1.310057461281337
Energy: 1.3402565581684478
Energy: 1.3100574612818243
Energy: 1.3402565581655674
Energy: 1.3100574612935227
Energy: 1.3402565581747845
Energy: 1.3100574613090765
Energy: 1.1884753007768467
Energy: 1.2587231732309994
Energy: 1.1884753007787965
Energy: 1.2587231732305117
Energy: 1.188475300777334
Energy: 1.2587231732305117
Energy: 1.1884753007787965
Energy: 1.2928663933086713
Energy: 1.2658626663745847
Energy: 1.2928663933013596
Energy: 1.2658626663736097
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Energy: 1.265862666372635
Energy: 1.2928663932799125
Energy: 1.1784791080109784
Energy: 1.2108535602396315
Energy: 1.1784791080100034
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Energy: 1.1784791080109784
Energy: 1.2108535602396315
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Energy: 1.2504580804503702
Energy: 1.202904346413319
Energy: 1.2504580804518326
Energy: 1.2029043464186806
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Energy: 1.2029043464152684
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Energy: 1.1511593086201664
Energy: 1.2029948840983933
Energy: 1.1511593086172416
Energy: 1.2029948840979061
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Energy: 1.2029948840988807
Energy: 1.1511593086172416
Energy: 1.1609103221787782
Energy: 1.2578898243946453
Energy: 1.1609103221773156
Energy: 1.2578898243926955
Energy: 1.1609103221792656
Energy: 1.2578898243941579
Energy: 1.1609103221778032
Energy: 1.1578729385808952
Energy: 1.25713054895806
Energy: 1.157872938579433
Energy: 1.2571305489575726
Energy: 1.1578729385808952
Energy: 1.25713054895806
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Energy: 1.3069926609838665
Energy: 1.2808456185669983
Energy: 1.3069926609853286
Energy: 1.280845618565536
Energy: 1.3069926609843538
Energy: 1.2808456185660233
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Energy: 1.3018845975882456
Energy: 1.3215356035537977
Energy: 1.3018845988233683
Energy: 1.3215356035528227
Energy: 1.3018845970688586
Energy: 1.321535603537712
Energy: 1.301884599824122
Energy: 1.2231099735273998
Energy: 1.2722337215899038
Energy: 1.2231099735269122
Energy: 1.2722337215918536
Energy: 1.2231099735264248
Energy: 1.272233721591366
Energy: 1.2231099735254498
Energy: 1.2064475837736168
Energy: 1.2963852424416342
Energy: 1.206447583778491
Energy: 1.2963852424460214
Energy: 1.2064475837341786
Energy: 1.2963852424474835
Energy: 1.2064475838160238
Energy: 1.1566423681256706
Energy: 1.1618262848112644
Energy: 1.1566423681237208
Energy: 1.1618262848112644
Energy: 1.1566423681251832
Energy: 1.161826284810777
Energy: 1.1566423681227904
Energy: 1.279022199096212
Energy: 1.2504828812362636
Energy: 1.2790222033155163
Energy: 1.2504828812362636
Energy: 1.2790222006787004
Energy: 1.2504828812362636
Energy: 1.2790222018265716
Energy: 1.228045511013403
Energy: 1.1867850543250749
Energy: 1.2280455110095037
Energy: 1.1867846818522336
Energy: 1.2280455110221768
Energy: 1.1867849575224898
Energy: 1.228045511013403
Energy: 1.2649713818089245
Energy: 1.304507112773446
Energy: 1.2649713818108743
Energy: 1.304507112773446
Energy: 1.2649713818089245
Energy: 1.304507112772471
Energy: 1.2649713818108743
Energy: 1.1928006497413295
Energy: 1.2460733354692086
Energy: 1.1928006497408419
Energy: 1.2460733354701836
Energy: 1.1928006497413295
Energy: 1.2460733354682336
Energy: 1.1928006497408419
Energy: 1.1663744268104568
Energy: 1.2464435335026318
Energy: 1.1663744268114318
Energy: 1.2464435335031192
Energy: 1.1663744268104568
Energy: 1.2464435335026318
Energy: 1.1663744268109442
Energy: 1.1637655478462474
Energy: 1.2327717920249899
Energy: 1.1637655478462474
Energy: 1.2327717920371761
Energy: 1.1637655478467348
Energy: 1.2327717920449752
Energy: 1.16376554784576
Energy: 1.1908605039521234
Energy: 1.2286605981860714
Energy: 1.1908605039506612
Energy: 1.2286605981850964
Energy: 1.1908605039501736
Energy: 1.2286605981860714
Energy: 1.190860503951636

minimum gb energy = 1.1511593086172416 eV
minimum distance =  2.31280535930771 Angstroms
sigma value = 401


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

Energy: 1.4000822781884283
Energy: 1.3126033181058943
Energy: 1.3429047916740717
Energy: 1.3126033181047878
Energy: 1.4000822778018278
Energy: 1.3126033181036811
Energy: 1.3429047916718584
Energy: 1.2868212964982144
Energy: 1.2886522659244632
Energy: 1.1883288954270719
Energy: 1.2833535475170943
Energy: 1.2868212964976613
Energy: 1.2886522659250164
Energy: 1.1883288954270719
Energy: 1.2653368942200713
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Energy: 1.2653368942189647
Energy: 1.2751734603365947
Energy: 1.2558555259607083
Energy: 1.2129229228905478
Energy: 1.3583014894653611
Energy: 1.2129229228922078
Energy: 1.3407832536721458
Energy: 1.212922922891101
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Energy: 1.2129229228905478
Energy: 1.2080620164799882
Energy: 1.3213138380487803
Energy: 1.208062016481095
Energy: 1.321440725589621
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Energy: 1.321313838049887
Energy: 1.2080620164805418
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Energy: 1.336266699480193
Energy: 1.2580935235601056
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Energy: 1.336266699480193
Energy: 1.258093523558999
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Energy: 1.3387915362722216
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Energy: 1.401495624715936
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Energy: 1.2976261796555109
Energy: 1.2605787473298289
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Energy: 1.2377343018275941
Energy: 1.2409750294141502
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Energy: 1.2409750309372134
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Energy: 1.2409750307242966
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Energy: 1.2979455652452756
Energy: 1.2628721835073033
Energy: 1.215598974905117
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Energy: 1.2979455652430623
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Energy: 1.215598974901244
Energy: 1.4000822774351456
Energy: 1.3126033181047878
Energy: 1.3429047916779446
Energy: 1.3126033181031278
Energy: 1.4000822778543904
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Energy: 1.3429047916773913
Energy: 1.2868212964982144
Energy: 1.2886522659239097
Energy: 1.1883288954276252
Energy: 1.2833535475359061
Energy: 1.2868212964987675
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Energy: 1.1883288954276252
Energy: 1.2653368942200713
Energy: 1.275173460334935
Energy: 1.2558555259607083
Energy: 1.2752595258549644
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Energy: 1.275173460334935
Energy: 1.2558555259607083
Energy: 1.212922922891101
Energy: 1.3583014894664678
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Energy: 1.3407832536738056
Energy: 1.2129229228899947
Energy: 1.3583014894631478
Energy: 1.2129229228894414
Energy: 1.208062016481095
Energy: 1.3213138380482272
Energy: 1.208062016481095
Energy: 1.3214407255901743
Energy: 1.2080620164799882
Energy: 1.321313838049887
Energy: 1.2080620164783284
Energy: 1.2580935235601056
Energy: 1.336266699480193
Energy: 1.2580935235595523
Energy: 1.3362666994812997
Energy: 1.2580935235601056
Energy: 1.3362666994796397
Energy: 1.2580935235584456
Energy: 1.2489037880621858
Energy: 1.3387915362711154
Energy: 1.2489037880599727
Energy: 1.3387915362711154
Energy: 1.248903788058866
Energy: 1.3387915362711154
Energy: 1.248903788062739
Energy: 1.2895587247359444
Energy: 1.3915285298588302
Energy: 1.2804038318563655
Energy: 1.3919053841173128
Energy: 1.2895587247364975
Energy: 1.3915285298577238
Energy: 1.2804038318585789
Energy: 1.2942410077801614
Energy: 1.4007782939061384
Energy: 1.331703426169279
Energy: 1.4014956247153827
Energy: 1.2942410078149686
Energy: 1.4007782939061384
Energy: 1.331703426169279
Energy: 1.259771289843215
Energy: 1.2976261796555109
Energy: 1.2605787473298289
Energy: 1.2976261796555109
Energy: 1.2597712898437683
Energy: 1.2976261796555109
Energy: 1.2605787473309356
Energy: 1.276413623843507
Energy: 1.3554012737151417
Energy: 1.270402774508155
Energy: 1.3554012737156949
Energy: 1.276413623845167
Energy: 1.3554012737168013
Energy: 1.270402774508155
Energy: 1.237734301829254
Energy: 1.2409749917566109
Energy: 1.2377343018287008
Energy: 1.2409749900476914
Energy: 1.2377343018281475
Energy: 1.2409749912616657
Energy: 1.2377343018303606
Energy: 1.2979455652447223
Energy: 1.2628721835061967
Energy: 1.215598974905117
Energy: 1.2628721835084098
Energy: 1.2979455652430623
Energy: 1.2628721835056433
Energy: 1.215598974901244
Energy: 1.4000822778571569
Energy: 1.3126033181058943
Energy: 1.3429047916740717
Energy: 1.3126033181020214
Energy: 1.4000822770043322
Energy: 1.312603318105341
Energy: 1.3429047916762846
Energy: 1.2868212964987675
Energy: 1.2886522659239097
Energy: 1.1883288954265188
Energy: 1.2833535475309266
Energy: 1.2868212964987675
Energy: 1.2886522659255697
Energy: 1.1883288954281785

minimum gb energy = 1.1883288954265188 eV
minimum distance =  2.31295260798057 Angstroms
sigma value = 311


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

Energy: 1.3035676413219675
Energy: 1.3799353183831236
Energy: 1.3035676413213286
Energy: 1.3799353183837624
Energy: 1.3035676413206898
Energy: 1.3799353183837624
Energy: 1.3035676413219675
Energy: 1.2433181047127329
Energy: 1.2114521168219303
Energy: 1.2433181045754305
Energy: 1.2114521168219303
Energy: 1.2433181045786248
Energy: 1.2114521168212913
Energy: 1.2433181046559012
Energy: 1.2419684189618172
Energy: 1.329614437009242
Energy: 1.2419680445862713
Energy: 1.329614437009242
Energy: 1.2419687717493668
Energy: 1.3296144370098808
Energy: 1.241969333854549
Energy: 1.2958686217414894
Energy: 1.2795220580662785
Energy: 1.2958686217395727
Energy: 1.2795220580662785
Energy: 1.2958686217395727
Energy: 1.2795220580662785
Energy: 1.2958686217402118
Energy: 1.256733600680698
Energy: 1.325965935683783
Energy: 1.256733600680698
Energy: 1.325965935682505
Energy: 1.25673360067942
Energy: 1.325965935682505
Energy: 1.25673360067942
Energy: 1.1869538094247791
Energy: 1.259058778166338
Energy: 1.1869538094247791
Energy: 1.2590587781676157
Energy: 1.1869538094247791
Energy: 1.2590587781676157
Energy: 1.186953809425418
Energy: 1.1988972439209364
Energy: 1.2645236427640958
Energy: 1.1988972439247698
Energy: 1.2645236427647346
Energy: 1.198897243922853
Energy: 1.264523642763457
Energy: 1.1988972439215755
Energy: 1.3747275774260341
Energy: 1.3221374202415246
Energy: 1.3747275774266732
Energy: 1.3221374202415246
Energy: 1.3747275774266732
Energy: 1.3221374202415246
Energy: 1.3747275774260341
Energy: 1.3814156205103056
Energy: 1.3196300661303515
Energy: 1.3814156205186112
Energy: 1.319630066132268
Energy: 1.3814156205179722
Energy: 1.3196300661297127
Energy: 1.3814156205166945
Energy: 1.21719075191376
Energy: 1.2816657998610417
Energy: 1.2171907519169545
Energy: 1.2816657998604026
Energy: 1.21719075191376
Energy: 1.2816657998604026
Energy: 1.2171907519207876
Energy: 1.2228634879827545
Energy: 1.289420619276558
Energy: 1.2228634879821154
Energy: 1.289420619276558
Energy: 1.2228634879821154
Energy: 1.2894206192771969
Energy: 1.2228634879827545
Energy: 1.33240899864879
Energy: 1.270610795754461
Energy: 1.3324089986468732
Energy: 1.2706107957550998
Energy: 1.33240899864879
Energy: 1.270610795754461
Energy: 1.3324089986481509
Energy: 1.332124022894359
Energy: 1.2740686105620433
Energy: 1.3321240228949978
Energy: 1.2740686105601267
Energy: 1.332124022894359
Energy: 1.2740686105601267
Energy: 1.332124022894359
Energy: 1.208605859978315
Energy: 1.2249207372399717
Energy: 1.2086058599789538
Energy: 1.2249207372393327
Energy: 1.208605859978315
Energy: 1.2249207372393327
Energy: 1.2086058599789538
Energy: 1.306081459363673
Energy: 1.2634724755562037
Energy: 1.3060814593655896
Energy: 1.2634724755562037
Energy: 1.306081459363034
Energy: 1.2634724755555649
Energy: 1.3060814593662287
Energy: 1.2341408222127432
Energy: 1.2558705532541978
Energy: 1.2341408222121044
Energy: 1.2558705532145868
Energy: 1.2341408222127432
Energy: 1.2558705531718104
Energy: 1.2341408222121044
Energy: 1.2402872888479628
Energy: 1.2422094384322988
Energy: 1.2402872888479628
Energy: 1.2422094384322988
Energy: 1.240287288847324
Energy: 1.2422094384310212
Energy: 1.2402872888486016
Energy: 1.3010049328628952
Energy: 1.2807075562821968
Energy: 1.301004932864173
Energy: 1.2807075562719745
Energy: 1.3010049328628952
Energy: 1.2807075562885857
Energy: 1.3010049328622564
Energy: 1.306256462236398
Energy: 1.38147856064971
Energy: 1.306256462235759
Energy: 1.38147856064971
Energy: 1.306256462236398
Energy: 1.38147856064971
Energy: 1.306256462235759
Energy: 1.2704313736110786
Energy: 1.3158707971619699
Energy: 1.2704313736110786
Energy: 1.3158707971632477
Energy: 1.2704313736110786
Energy: 1.315870797162609
Energy: 1.2704313736123565
Energy: 1.2141150802918208
Energy: 1.2067918105155941
Energy: 1.2141150802918208
Energy: 1.2067918105149555
Energy: 1.2141150802918208
Energy: 1.2067918105149555
Energy: 1.2141150802918208
Energy: 1.2471229327401645
Energy: 1.2388712869261016
Energy: 1.2471229327408033
Energy: 1.2388712866962184
Energy: 1.2471229327388866
Energy: 1.2388712869076028
Energy: 1.2471229327388866
Energy: 1.3409718861414262
Energy: 1.3506666863650112
Energy: 1.3409718861414262
Energy: 1.3506666863637333
Energy: 1.3409718861414262
Energy: 1.3506666863650112
Energy: 1.340971886142065
Energy: 1.3423963343196266
Energy: 1.3668956454066028
Energy: 1.3423963342813225
Energy: 1.3668956454034082
Energy: 1.3423963343700986
Energy: 1.3668956454059638
Energy: 1.342396334386042
Energy: 1.2331159912314367
Energy: 1.2472531775580866
Energy: 1.2331159912327143
Energy: 1.2472531775580866
Energy: 1.2331159912320753
Energy: 1.2472531775587257
Energy: 1.2331159912320753
Energy: 1.333929545789027
Energy: 1.2530476635307297
Energy: 1.3339295605535344
Energy: 1.2530476635428685
Energy: 1.333929592525857
Energy: 1.2530476635307297
Energy: 1.3339295628378174
Energy: 1.3093617294296533
Energy: 1.3091881135522276
Energy: 1.290817342148098
Energy: 1.3091881135528665
Energy: 1.3093617294309308
Energy: 1.3091881135522276
Energy: 1.290817342148098
Energy: 1.2578057005655077
Energy: 1.264531903890082
Energy: 1.2578057005648688
Energy: 1.264531903890082
Energy: 1.2578057005648688
Energy: 1.264531903890082
Energy: 1.2578057005655077
Energy: 1.2031856052234482
Energy: 1.2247087683495799
Energy: 1.2031856052228094
Energy: 1.2247087683489413
Energy: 1.2031856052228094
Energy: 1.2247087683489413
Energy: 1.2031856052228094
Energy: 1.388732131718534
Energy: 1.311148413561179
Energy: 1.3887321317191728
Energy: 1.3111484135618179
Energy: 1.388732131718534
Energy: 1.31114841356054
Energy: 1.3887321317191728
Energy: 1.316960701683892
Energy: 1.3225652537028025
Energy: 1.316960701683892
Energy: 1.3225652537028025
Energy: 1.3169607016845306
Energy: 1.3225652537028025
Energy: 1.316960701683892
Energy: 1.2330258857400307
Energy: 1.2891169278849643
Energy: 1.2330258857406695
Energy: 1.2891169278817698
Energy: 1.2330258857400307
Energy: 1.2891169278862418
Energy: 1.2330258857419472
Energy: 1.21904950100703
Energy: 1.2885110081527262
Energy: 1.2190495010038356
Energy: 1.2885110081527262
Energy: 1.2190495010031968
Energy: 1.2885110081527262
Energy: 1.2190495010031968
Energy: 1.326819737184303
Energy: 1.3684670804529246
Energy: 1.326819737183025
Energy: 1.3684670804529246
Energy: 1.326819737183025
Energy: 1.3684670804529246
Energy: 1.3268197371836639
Energy: 1.2159085210429714
Energy: 1.2941651063356405
Energy: 1.2159085210416936
Energy: 1.2941651063356405
Energy: 1.2159085210423326
Energy: 1.2941651063343627
Energy: 1.2159085210423326
Energy: 1.1892052910246715
Energy: 1.2267283002570804
Energy: 1.1892052910240327
Energy: 1.2267283002570804
Energy: 1.1892052910246715
Energy: 1.2267283002570804
Energy: 1.1892052910253104

minimum gb energy = 1.1869538094247791 eV
minimum distance =  2.23803050534242 Angstroms
sigma value = 39


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

Energy: 1.2751769831667836
Energy: 1.3319478958327968
Energy: 1.2751769831667836
Energy: 1.3319478958327968
Energy: 1.275176983167538
Energy: 1.3319478958320428
Energy: 1.2751769831667836
Energy: 1.2706202436555942
Energy: 1.133598841767467
Energy: 1.2706202436548402
Energy: 1.133598841767467
Energy: 1.2706202436548402
Energy: 1.133598841768221
Energy: 1.2706202436548402
Energy: 1.2423735504985243
Energy: 1.2153515857105686
Energy: 1.2423735504985243
Energy: 1.2153515857113226
Energy: 1.2423735504977702
Energy: 1.2153515857105686
Energy: 1.2423735504970161
Energy: 1.387577154107638
Energy: 1.1252942548202225
Energy: 1.3875771541114081
Energy: 1.1252942548202225
Energy: 1.3875771541099
Energy: 1.1252942548209763
Energy: 1.3875771541121622
Energy: 1.293678713106972
Energy: 1.1328226549488092
Energy: 1.293678713106972
Energy: 1.1328226549488092
Energy: 1.2936787131077259
Energy: 1.1328226549488092
Energy: 1.293678713106972
Energy: 1.2927915602328723
Energy: 1.1924021020164963
Energy: 1.2927915602328723
Energy: 1.1924021020180045
Energy: 1.2927915602321183
Energy: 1.1924021020180045
Energy: 1.2927915602321183
Energy: 1.2300352958097818
Energy: 1.239430685135541
Energy: 1.2300352958120437
Energy: 1.239430685134787
Energy: 1.2300352958112897
Energy: 1.239430685135541
Energy: 1.2300352958105358
Energy: 1.287521667199451
Energy: 1.213435626628757
Energy: 1.287521667200205
Energy: 1.2134356266280029
Energy: 1.287521667199451
Energy: 1.2134356266280029
Energy: 1.2875216671986969
Energy: 1.3076892194823917
Energy: 1.1854955993113159
Energy: 1.3076892194771137
Energy: 1.1854955993105618
Energy: 1.307689219501242
Energy: 1.1854955993113159
Energy: 1.307689219497472
Energy: 1.187927550279558
Energy: 1.3024951524348043
Energy: 1.187927550279558
Energy: 1.3024951524355584
Energy: 1.187927550278804
Energy: 1.3024951524348043
Energy: 1.187927550279558
Energy: 1.3259646857760543
Energy: 1.2507362797826072
Energy: 1.218350011339167
Energy: 1.2507362797826072
Energy: 1.3259646857745464
Energy: 1.250736279781853
Energy: 1.2840361307233374
Energy: 1.2298591643933885
Energy: 1.1255836466031703
Energy: 1.2298591643933885
Energy: 1.1255836466024163
Energy: 1.2298591643933885
Energy: 1.1255836466031703
Energy: 1.2298591643933885
Energy: 1.2437250560895667
Energy: 1.1293430001714506
Energy: 1.2437250516722644
Energy: 1.1293430001714506
Energy: 1.2437250542121492
Energy: 1.1293430001714506
Energy: 1.243725053435107
Energy: 1.1883407385579914
Energy: 1.124915585401324
Energy: 1.1883407385564835
Energy: 1.1249155854028319
Energy: 1.1883407385572375
Energy: 1.124915585402078
Energy: 1.1883407385602536
Energy: 1.2826136888281718
Energy: 1.1859210989494904
Energy: 1.2826136888281718
Energy: 1.1859210989494904
Energy: 1.2826136888289261
Energy: 1.1859210989502444
Energy: 1.2826136888281718
Energy: 1.195569781706526
Energy: 1.1991811583875902
Energy: 1.1955697817079998
Energy: 1.1991811583875902
Energy: 1.1955697817072801
Energy: 1.1991811583883443
Energy: 1.195569781706526
Energy: 1.2744952059487105
Energy: 1.2173136731670424
Energy: 1.268411071343269
Energy: 1.2173136731670424
Energy: 1.2745441221542069
Energy: 1.2173136731662884
Energy: 1.2761169912836063
Energy: 1.2647688089160827
Energy: 1.2138462235723309
Energy: 1.2647688089153288
Energy: 1.213846223573085
Energy: 1.2647688089160827
Energy: 1.213846223573839
Energy: 1.2647688089168367
Energy: 1.256813478013287
Energy: 1.2276192145219869
Energy: 1.256813478013287
Energy: 1.227619214433802
Energy: 1.2568134780117788
Energy: 1.227619214442096
Energy: 1.256813478012533
Energy: 1.183198155056293
Energy: 1.2776352418411525
Energy: 1.183198155055539
Energy: 1.2776352418419066
Energy: 1.1831981550547852
Energy: 1.2776352418419066
Energy: 1.183198155053277
Energy: 1.2998865394243881
Energy: 1.1245132163145832
Energy: 1.2998865394243881
Energy: 1.1245132163138292
Energy: 1.2998865394243881
Energy: 1.1245132163145832
Energy: 1.2998865394251422
Energy: 1.2294421106881466
Energy: 1.124682674853739
Energy: 1.2294421106889004
Energy: 1.124682674853739
Energy: 1.2294421106881466
Energy: 1.124682674853739
Energy: 1.2294421106873925
Energy: 1.2822852922184031
Energy: 1.162713284220879
Energy: 1.2822852922184031
Energy: 1.162713284220879
Energy: 1.2822852922184031
Energy: 1.162713284220879
Energy: 1.282285292219911
Energy: 1.266349780371484
Energy: 1.130765709300537
Energy: 1.266349780371484
Energy: 1.130765709299783
Energy: 1.266349780371484
Energy: 1.1307657093020451
Energy: 1.26634978037073
Energy: 1.3165883794454858
Energy: 1.192871225657973
Energy: 1.3165883794462399
Energy: 1.192871225657973
Energy: 1.316588379446994
Energy: 1.1928712256594811
Energy: 1.3165883794462399
Energy: 1.3123274233327082
Energy: 1.2147098074513258
Energy: 1.3123274233334623
Energy: 1.2147098074505716
Energy: 1.3123274233327082
Energy: 1.2147098074505716
Energy: 1.3123274233342164
Energy: 1.2977038350579433
Energy: 1.2941778185901727
Energy: 1.2977038350594512
Energy: 1.2941778185894186
Energy: 1.2977038350579433
Energy: 1.2941778185886643
Energy: 1.2977038350586971
Energy: 1.2700902241498817
Energy: 1.1885660770853463
Energy: 1.270090224149162
Energy: 1.188566077084627
Energy: 1.270090224149162
Energy: 1.1885660770838726
Energy: 1.2700902241498817
Energy: 1.2751769831660298
Energy: 1.331947895834305
Energy: 1.2751769831652755
Energy: 1.331947895833551
Energy: 1.2751769831652755
Energy: 1.3319478958327968
Energy: 1.2751769831660298
Energy: 1.2706202436555942
Energy: 1.133598841768221
Energy: 1.2706202436555942
Energy: 1.133598841767467
Energy: 1.2706202436548402
Energy: 1.133598841768221
Energy: 1.2706202436540863

minimum gb energy = 1.1245132163138292 eV
minimum distance =  2.28167468874311 Angstroms
sigma value = 21


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

Energy: 1.206942370737249
Energy: 1.454274228866426
Energy: 1.206942370737249
Energy: 1.4542742288673414
Energy: 1.206942370737249
Energy: 1.454274228866426
Energy: 1.206942370737249
Energy: 1.1285355128322527
Energy: 1.0898773626727758
Energy: 1.128535513235728
Energy: 1.0898773626727758
Energy: 1.1285355129036072
Energy: 1.0898773626736913
Energy: 1.1285355129713213
Energy: 1.2029313249735518
Energy: 1.1205047960667718
Energy: 1.202931324970806
Energy: 1.1205047960667718
Energy: 1.202931324976298
Energy: 1.1205047960667718
Energy: 1.2029313249461129
Energy: 1.0584370616697902
Energy: 1.1285178982685626
Energy: 1.0584370604172593
Energy: 1.1285178982685626
Energy: 1.0584370620394188
Energy: 1.1285178982685626
Energy: 1.058437062351423
Energy: 1.0425878951584577
Energy: 1.232645166168289
Energy: 1.042587895159373
Energy: 1.2326451661701197
Energy: 1.0425878951584577
Energy: 1.2326451661692044
Energy: 1.042587895159373
Energy: 1.1562680961511713
Energy: 1.121733340492246
Energy: 1.1562680961493406
Energy: 1.1217333404913308
Energy: 1.1562680961493406
Energy: 1.1217333404931615
Energy: 1.15626809614751
Energy: 1.0070757100354073
Energy: 1.1519440789487727
Energy: 1.007075710034492
Energy: 1.151944078949688
Energy: 1.007075710034492
Energy: 1.151944078946942
Energy: 1.0070757100354073
Energy: 1.0550760603640383
Energy: 1.106130951849089
Energy: 1.0550760603649536
Energy: 1.106130951849089
Energy: 1.0550760603640383
Energy: 1.106130951849089
Energy: 1.0550760603631228
Energy: 1.1324920569816244
Energy: 1.114853590222144
Energy: 1.1324920569816244
Energy: 1.1148535902230594
Energy: 1.1324920569816244
Energy: 1.1148535902230594
Energy: 1.1324920569816244
Energy: 1.0814886231711869
Energy: 1.3415711762515075
Energy: 1.0814886231702716
Energy: 1.3415711762505922
Energy: 1.0814886231711869
Energy: 1.341571176252423
Energy: 1.0814886231711869
Energy: 1.010216626165017
Energy: 1.1511808823310092
Energy: 1.0102166261659324
Energy: 1.1511808823319245
Energy: 1.0102166261659324
Energy: 1.1511808823310092
Energy: 1.0102166261631864
Energy: 1.0550744015305458
Energy: 1.1060290994534536
Energy: 1.0550744015314613
Energy: 1.1060290994534536
Energy: 1.0550744015314613
Energy: 1.1060290994543691
Energy: 1.0550744015314613
Energy: 1.0700568266168915
Energy: 1.082413894366826
Energy: 1.0700568266159765
Energy: 1.082413894366826
Energy: 1.0700568266168915
Energy: 1.082413894366826
Energy: 1.0700568266159765
Energy: 1.17615895585815
Energy: 1.3641188565138946
Energy: 1.17615895585815
Energy: 1.3641188565148101
Energy: 1.1761589558590655
Energy: 1.3641188565138946
Energy: 1.17615895585815
Energy: 1.1516871881886024
Energy: 1.0994467241321992
Energy: 1.1516871886058075
Energy: 1.0994467241321992
Energy: 1.1516871879635342
Energy: 1.0994467241321992
Energy: 1.151687187697297
Energy: 1.1236933374662303
Energy: 1.0694888397159623
Energy: 1.1236933374799603
Energy: 1.0694888400032523
Energy: 1.1236933374643996
Energy: 1.0694888405092033
Energy: 1.1236933374799603
Energy: 1.1426753151394975
Energy: 1.07803199898611
Energy: 1.1426753151422435
Energy: 1.0780319989851948
Energy: 1.1426753151385822
Energy: 1.07803199898611
Energy: 1.1426753151394975
Energy: 1.2064938489358314
Energy: 1.180467691560854
Energy: 1.2064938489330854
Energy: 1.180467692975316
Energy: 1.206493848937662
Energy: 1.1804676942580528
Energy: 1.2064938489330854
Energy: 1.1179204330976416
Energy: 1.0955307602419144
Energy: 1.1179204330976416
Energy: 1.0955307602409992
Energy: 1.1179204330976416
Energy: 1.0955307602419144
Energy: 1.1179204330976416
Energy: 1.0543323347548959
Energy: 1.0574256007801235
Energy: 1.0543323347548959
Energy: 1.057425600779208
Energy: 1.0543323347530649
Energy: 1.0574256007801235
Energy: 1.0543323347548959
Energy: 1.129174658402327
Energy: 1.1510522630129072
Energy: 1.1291746584032425
Energy: 1.1510522630129072
Energy: 1.1291746584032425
Energy: 1.1510522630129072
Energy: 1.129174658402327
Energy: 1.008509060323355
Energy: 1.129232708058233
Energy: 1.0085090603224398
Energy: 1.1292327084315226
Energy: 1.008509060323355
Energy: 1.1292327089603569
Energy: 1.008509060323355
Energy: 1.0407093565351602
Energy: 1.092778337482977
Energy: 1.0407093565507206
Energy: 1.092778337482977
Energy: 1.0407093565580434
Energy: 1.092778337482977
Energy: 1.04070935656262
Energy: 1.1548229567158075
Energy: 1.0549456369676653
Energy: 1.1548229567148924
Energy: 1.0549456370335484
Energy: 1.1548229567158075
Energy: 1.0549456371634636
Energy: 1.1548229567158075
Energy: 1.0772013978446062
Energy: 1.1027342045739075
Energy: 1.0772013978446062
Energy: 1.1027342045739075
Energy: 1.0772013978436912
Energy: 1.1027342045748227
Energy: 1.0772013978446062

minimum gb energy = 1.007075710034492 eV
minimum distance =  2.32436923597714 Angstroms
sigma value = 113


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

Energy: 1.0265767206711718
Energy: 1.0861530745035357
Energy: 1.0265767206773018
Energy: 1.0861530729910545
Energy: 1.0265767206859864
Energy: 1.086153073843799
Energy: 1.0265767206670848
Energy: 1.0397057505766356
Energy: 0.9634772718964633
Energy: 1.0397057505756142
Energy: 0.9634772718990176
Energy: 1.0397057505776575
Energy: 0.9634772718954415
Energy: 1.0397057505766356
Energy: 1.0250504597140555
Energy: 1.4641161713158208
Energy: 1.0250490410046385
Energy: 1.4641161713147992
Energy: 1.025048365757937
Energy: 1.4641161713158208
Energy: 1.025051325294752
Energy: 0.9715117808055939
Energy: 0.9574851221041881
Energy: 0.9715117808163218
Energy: 0.957484919813011
Energy: 0.97151178080917
Energy: 0.9574851240123905
Energy: 0.9715117808107023
Energy: 0.9469453018036212
Energy: 1.0076179229011735
Energy: 0.9469453015661699
Energy: 1.007617922917474
Energy: 0.9469453017117151
Energy: 1.0076179229021487
Energy: 0.9469453017137586
Energy: 0.94140889220743
Energy: 0.9801245249512162
Energy: 0.941408892204365
Energy: 0.9801245249757369
Energy: 0.941408892214071
Energy: 0.9801245249537703
Energy: 0.9414088922206658
Energy: 0.9597246628748317
Energy: 0.9411307310670834
Energy: 0.9597246628819837
Energy: 0.941130731068616
Energy: 0.959724662884538
Energy: 0.9411307310681052
Energy: 0.9597246628748317
Energy: 0.9786268421191998
Energy: 1.0018330488525253
Energy: 0.9786268421191998
Energy: 1.0018330488509928
Energy: 0.9786268421191998
Energy: 1.0018330488535472
Energy: 0.9786268421186892
Energy: 0.9925853906805313
Energy: 0.9505320083242381
Energy: 0.9925853906340905
Energy: 0.9505320083283247
Energy: 0.9925853906927915
Energy: 0.9505320083319005
Energy: 0.9925853906647414
Energy: 0.9786709287478691
Energy: 0.9375683167163985
Energy: 0.9786709287831176
Energy: 0.9375683167169093
Energy: 0.9786709287463364
Energy: 0.9375683167174201
Energy: 0.9786709288479487
Energy: 0.9392857121597948
Energy: 1.1689961905461912
Energy: 0.9392857121505995
Energy: 1.168996190547724
Energy: 0.9392857121505995
Energy: 1.1689961905461912
Energy: 0.9392857121505995
Energy: 0.9463952753434659
Energy: 0.9560689443477393
Energy: 0.9463952753424442
Energy: 0.956068940474677
Energy: 0.9463952753424442
Energy: 0.9560689460685532
Energy: 0.9463952753419334
Energy: 1.1930205559672533
Energy: 1.0890305258064463
Energy: 1.1930205559687859
Energy: 1.089030525840162
Energy: 1.1930205559677642
Energy: 1.0890305258447133
Energy: 1.193020555968275
Energy: 0.9472511575506939
Energy: 0.9408260783048576
Energy: 0.9472511575512047
Energy: 0.940826078303325
Energy: 0.9472511575506939
Energy: 0.9408260783028142
Energy: 0.9472511575512047
Energy: 0.9453083651138938
Energy: 1.0710142407432155
Energy: 0.9453083651133829
Energy: 1.0710142407427048
Energy: 0.9453083651118505
Energy: 1.0710142407432155
Energy: 0.9453083651149156
Energy: 0.9309661738348044
Energy: 1.1365359206135206
Energy: 0.9309661738348044
Energy: 1.1365359206135206
Energy: 0.9309661738342936
Energy: 1.136535920612499
Energy: 0.9309661738358261
Energy: 0.8955009301381143
Energy: 0.9373685284537284
Energy: 0.895500631798077
Energy: 0.937368528439982
Energy: 0.8955008982242914
Energy: 0.9373685284491307
Energy: 0.8955004800777667
Energy: 0.9411811972872487
Energy: 0.9569439400448578
Energy: 0.9411811972867379
Energy: 0.9569439400458795
Energy: 0.9411811972872487
Energy: 0.9569439400469013
Energy: 0.941181197286227
Energy: 0.9373986538016225
Energy: 1.0177902984178493
Energy: 0.9373986538011115
Energy: 1.0177902984173384
Energy: 0.9373986538016225
Energy: 1.0177902984178493
Energy: 0.9373986538011115
Energy: 0.9638557361916009
Energy: 1.1252275349790677
Energy: 0.9638557361946661
Energy: 1.1252275332684707
Energy: 0.9638557361946661
Energy: 1.1252275337606956
Energy: 0.963855736201818
Energy: 1.0073811869599112
Energy: 0.9175601065559759
Energy: 1.0073811878728893
Energy: 0.9175601065564867
Energy: 1.0073811872218832
Energy: 0.9175601065564867
Energy: 1.0073811864635995
Energy: 0.9582143119884763
Energy: 0.9108936952398361
Energy: 0.9582143119874544
Energy: 0.9108936952357494
Energy: 0.9582143119869436
Energy: 0.9108936952418796
Energy: 0.9582143119879655
Energy: 0.9372241531726333
Energy: 0.9174704819489718
Energy: 0.9372241531705898
Energy: 0.917470481948461
Energy: 0.9372241531711006
Energy: 0.9174704819479502
Energy: 0.9372241531705898
Energy: 0.91793954961901
Energy: 1.1809190724817806
Energy: 0.9179395495806965
Energy: 1.180919071471788
Energy: 0.9179395495230172
Energy: 1.1809190737170105
Energy: 0.9179395495965328
Energy: 1.0573038274163868
Energy: 0.9948755444308073
Energy: 1.057303827417409
Energy: 0.9948755444313182
Energy: 1.057303827412811
Energy: 0.9948755444308073
Energy: 1.057303827416898
Energy: 1.0078551931762763
Energy: 0.9712319852978559
Energy: 1.0078551667914522
Energy: 0.9712319862149207
Energy: 1.0078551770411486
Energy: 0.9712319856343655
Energy: 1.0078552034086043
Energy: 1.04080835769786
Energy: 1.070047928001914
Energy: 1.0408083576988816
Energy: 1.0700479286600717
Energy: 1.0408083576953056
Energy: 1.0700479286284454
Energy: 1.0408083576973493
Energy: 0.9943348742452905
Energy: 1.1890944623469284
Energy: 0.9945890874261598
Energy: 1.207270174518068
Energy: 0.9945118478664152
Energy: 1.1890942597963334
Energy: 0.9943645755939233
Energy: 1.112743248756046
Energy: 1.00743815508479
Energy: 1.1127432503762693
Energy: 1.0074381551138618
Energy: 1.1127432498528826
Energy: 1.0074381550740619
Energy: 1.1127432504594912
Energy: 1.0144982878979536
Energy: 0.9713439308649036
Energy: 1.0144982874485933
Energy: 0.9713436849391044
Energy: 1.014498287675828
Energy: 0.9713439426051149
Energy: 1.0144982880633755
Energy: 0.9858742251919093
Energy: 1.002980549397026
Energy: 0.9858742252235818
Energy: 1.0029805493056307
Energy: 0.985874225219495
Energy: 1.0029805493102284
Energy: 0.9858742252102998
Energy: 0.9364199744315861
Energy: 1.143634915598288
Energy: 0.9364199732719615
Energy: 1.1436349155977767
Energy: 0.9364199744739863
Energy: 1.143634915590114
Energy: 0.9364199741911159
Energy: 1.0333996778678438
Energy: 0.9753416353841375
Energy: 1.0333996778729522
Energy: 0.9753416353836265
Energy: 1.0333996778714194
Energy: 0.9753416353826049
Energy: 1.0333996778714194
Energy: 0.9382407141711341
Energy: 0.9314442571543888
Energy: 0.9382407142139988
Energy: 0.9314442571528563
Energy: 0.9382407141940758
Energy: 0.9314442571503021
Energy: 0.938240714210423
Energy: 0.9747383657449342
Energy: 1.0639014279343701
Energy: 0.9747383657444234
Energy: 1.0639014278557462
Energy: 0.9747383657449342
Energy: 1.063901428017081
Energy: 0.9747383657439126
Energy: 1.018209599640087
Energy: 1.0998689624497364
Energy: 1.0182095996416194
Energy: 1.0998689627070644
Energy: 1.0182095996405978
Energy: 1.0998689625656524
Energy: 1.0182095996421303
Energy: 1.1473657785565177
Energy: 0.9353674227438796
Energy: 1.14736577855805
Energy: 0.9353674227433687
Energy: 1.1473657785575393
Energy: 0.9353674227443904
Energy: 1.14736577855805
Energy: 0.9337651476874042
Energy: 0.9142376469453598
Energy: 0.9337651476853608
Energy: 0.9142376469463815
Energy: 0.9337651476874042
Energy: 0.9142376469453598
Energy: 0.9337651476858716
Energy: 0.9464127948233592
Energy: 0.9505176118620684
Energy: 0.9464127948213158
Energy: 0.9505176118630901
Energy: 0.9464127948233592
Energy: 0.9505176118630901
Energy: 0.9464127948213158
Energy: 0.8974547218193892
Energy: 1.1983174585559755
Energy: 0.8974547218214327
Energy: 1.1983174565195969
Energy: 0.8974547218178568
Energy: 1.1983174589557835
Energy: 0.8974547218199002
Energy: 0.9369112441934223
Energy: 0.9365916694634254
Energy: 0.9369112441959764
Energy: 0.9365916694624038
Energy: 0.9369112441939331
Energy: 0.9365916694634254
Energy: 0.9369112441949546
Energy: 0.9425289232009669
Energy: 0.905585871595703
Energy: 0.9425289231963695
Energy: 0.9055858715931487
Energy: 0.9425289231973911
Energy: 0.905585871595703
Energy: 0.9425289231820656
Energy: 0.9382957806075409
Energy: 1.1234968031744514
Energy: 0.9382957806075409
Energy: 1.1234968031775165
Energy: 0.9382957806075409
Energy: 1.123496803172408
Energy: 0.9382957806080519
Energy: 0.8984420440158395
Energy: 0.9147443299376042
Energy: 0.8984420440168613
Energy: 0.9147443299396476
Energy: 0.8984420440158395
Energy: 0.9147443299376042
Energy: 0.8984420440173722
Energy: 0.9365905936358405
Energy: 0.9486017694755071
Energy: 0.9365905936353297
Energy: 0.9486017694734639
Energy: 0.9365905936368623
Energy: 0.9486017694755071
Energy: 0.9365905936353297

minimum gb energy = 0.8955004800777667 eV
minimum distance =  2.29787912116722 Angstroms
sigma value = 365


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

Energy: 0.32516769846410537
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 1.9934516256310988
Energy: 1.0888474339558945
Energy: 1.9934516256207333
Energy: 1.0888474339558945
Energy: 1.99345162562534
Energy: 1.0888474339558945
Energy: 1.9934516255712333
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 1.9934516256161259
Energy: 1.0888474339558945
Energy: 1.993451625518278
Energy: 1.0888474339558945
Energy: 1.9934516256299473
Energy: 1.0888474339558945
Energy: 1.99345162562534
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 1.9934516255309473
Energy: 1.0888474339558945
Energy: 1.9934516254837509
Energy: 1.0888474339558945
Energy: 1.9934516254791441
Energy: 1.0888474339558945
Energy: 1.9934516255954207
Energy: 0.32516769846410537
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 1.9934516256138224
Energy: 1.0888474339558945
Energy: 1.9934516256195813
Energy: 1.0888474339558945
Energy: 1.9934516256241885
Energy: 1.0888474339558945
Energy: 1.9934516256218848
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 1.9934516255539567
Energy: 1.0888474339558945
Energy: 1.9934516256299473
Energy: 1.0888474339558945
Energy: 1.9934516255758403
Energy: 1.0888474339558945
Energy: 1.9934516256299473
Energy: 0.32516769846525717
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 0.34145468124373124
Energy: 0.32516769846410537
Energy: 1.993451625212038
Energy: 1.0888474339558945
Energy: 1.9934516255102155
Energy: 1.0888474339558945
Energy: 1.9934516251257075
Energy: 1.0888474339558945
Energy: 1.9934516254146708
Energy: 0.32516769846410537
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 1.9934516256184298
Energy: 1.0888474339558945
Energy: 1.993451625558564
Energy: 1.0888474339558945
Energy: 1.9934516255551087
Energy: 1.0888474339558945
Energy: 1.9934516255562602
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 1.9934516256322508
Energy: 1.0888474339558945
Energy: 1.9934516256057604
Energy: 1.0888474339558945
Energy: 1.9934516255666261
Energy: 1.0888474339558945
Energy: 1.9934516255194297
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 0.34145468124488304
Energy: 0.32516769846525717
Energy: 0.34145468124488304
Energy: 0.32516769846410537
Energy: 1.993451625474537
Energy: 1.0888474339558945
Energy: 1.9934516256115191
Energy: 1.0888474339558945
Energy: 1.9934516255804475
Energy: 1.0888474339558945
Energy: 1.9934516256195813
Energy: 0.32516769846410537
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 0.34145468124373124
Energy: 0.32516769846410537
Energy: 0.34145468124373124
Energy: 0.32516769846525717
Energy: 1.9934516256310988
Energy: 1.0888474339558945
Energy: 1.993451625464171
Energy: 1.0888474339558945
Energy: 1.9934516256241885
Energy: 1.0888474339558945
Energy: 1.993451625626492

minimum gb energy = 0.32516769846410537 eV
minimum distance =  2.3013830278224 Angstroms
sigma value = 23