Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
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=4.290547129999928
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: 0.016183086009679236
Energy: 0.1676310868163133
Energy: 0.016183086009679236
Energy: 0.16763108681595057
Energy: 0.016183086009679236
Energy: 0.16763108681595057
Energy: 0.016183086009679236
Energy: 0.016735256381468923
Energy: 0.634034763596853
Energy: 0.016735256381876982
Energy: 0.634034763596853
Energy: 0.016735256381876982
Energy: 0.634034763597261
Energy: 0.016735256381876982
Energy: 0.4850774749884377
Energy: 0.5594721140967418
Energy: 0.4850774749880296
Energy: 0.5594721140967418
Energy: 1.1273429736083649
Energy: 0.5594721140971498
Energy: 1.3326188727548656
Energy: 0.016735256381468923
Energy: 0.634034763596853
Energy: 0.016735256381468923
Energy: 0.634034763596853
Energy: 0.016735256381468923
Energy: 0.634034763596853
Energy: 0.016735256381876982
Energy: 0.01618308601008729
Energy: 0.1676310868163133
Energy: 0.016183086009679236
Energy: 0.1676310868163133
Energy: 0.016183086009679236
Energy: 0.1676310868163133
Energy: 0.016183086009679236
Energy: 0.01673525638110621
Energy: 0.634034763596853
Energy: 0.016735256381468923
Energy: 0.634034763596445
Energy: 0.016735256381468923
Energy: 0.634034763596445
Energy: 0.016735256381468923

minimum gb energy = 0.016183086009679236 eV
minimum distance =  2.47653872646478 Angstroms
sigma value = 5


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

Energy: 1.2893327633497766
Energy: 1.2636157870034705
Energy: 1.2893327633502643
Energy: 1.263615784086443
Energy: 1.289332763347827
Energy: 1.2636157851568646
Energy: 1.2893327633492893
Energy: 1.1947176456464759
Energy: 1.1744060183603777
Energy: 1.1947176456440385
Energy: 1.1744061292143362
Energy: 1.1947176456459885
Energy: 1.1744010472763111
Energy: 1.1947176456469633
Energy: 1.1319025302551893
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Energy: 1.1831692728360192
Energy: 1.1319025302566517
Energy: 1.1381859048941407
Energy: 1.210377797871629
Energy: 1.1381859048946281
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Energy: 1.1381859048956031
Energy: 1.2103777978706542
Energy: 1.1381859048936531
Energy: 1.1361080098032401
Energy: 1.2096571787681343
Energy: 1.1361080098042151
Energy: 1.2096571787671595
Energy: 1.1361080098022651
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Energy: 1.1361080098027527
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Energy: 1.226654911661544
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Energy: 1.2266549116625187
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Energy: 1.1575020190015015
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Energy: 1.2272483504566924
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Energy: 1.2272483504581548
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Energy: 1.2554150560111617
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Energy: 1.2217939599695424
Energy: 1.1353409806129924
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Energy: 1.1879085357289145
Energy: 1.15873354305071
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Energy: 1.1211649136567283
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Energy: 1.1345248151174312
Energy: 1.1322410294698877
Energy: 1.215208204447944
Energy: 1.132241029467938
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Energy: 1.246139951260456
Energy: 1.1891078850098558
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Energy: 1.2441797774285144
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Energy: 1.2441797774265646
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Energy: 1.1802037212463812
Energy: 1.1753940027067027
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Energy: 1.1753940027081649
Energy: 1.212443750793649
Energy: 1.1753940027076777
Energy: 1.2124437507941361
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Energy: 1.1221533024037984
Energy: 1.1371926316959915
Energy: 1.1221533024003865
Energy: 1.1371926316925793
Energy: 1.1221533023672847
Energy: 1.2378386307299396
Energy: 1.160427542446777
Energy: 1.2378386307284774
Energy: 1.1604275424477515
Energy: 1.2378386307294522
Energy: 1.1604275424375152
Energy: 1.2378386307284774
Energy: 1.1885488683962044
Energy: 1.1478278435498197
Energy: 1.1885488683952294
Energy: 1.147827843549332
Energy: 1.1885488683952294
Energy: 1.1478278435483573
Energy: 1.188548868394742
Energy: 1.1735568149103621
Energy: 1.2068833913584227
Energy: 1.1735568149127993
Energy: 1.2068833913574477
Energy: 1.1735568149103621
Energy: 1.206883391357935
Energy: 1.1735568149108495
Energy: 1.1584940666618198
Energy: 1.2038869384904993
Energy: 1.1584940666627948
Energy: 1.2038869384929367
Energy: 1.1584940666613324
Energy: 1.2038869384904993
Energy: 1.1584940666632821
Energy: 1.1357040966461358
Energy: 1.1836721826549306
Energy: 1.135704096644186
Energy: 1.1836721826559056
Energy: 1.1357040966451608
Energy: 1.1836721826544432
Energy: 1.1357040966436986
Energy: 1.1315348549894018
Energy: 1.1784480472098848
Energy: 1.1315348549864772
Energy: 1.1784480472103724
Energy: 1.1315348549898891
Energy: 1.1784480472098848
Energy: 1.1315348549874522
Energy: 1.1568657791053616
Energy: 1.1955460305522532
Energy: 1.1568657791058492
Energy: 1.195546030554203
Energy: 1.1568657791048742
Energy: 1.1955460305522532
Energy: 1.1568657791048742

minimum gb energy = 1.1211649136562407 eV
minimum distance =  2.3130787225599 Angstroms
sigma value = 401


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

Energy: 1.2815552244026496
Energy: 1.2856914895537659
Energy: 1.2815552244009896
Energy: 1.2856914895543192
Energy: 1.281555224403203
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Energy: 1.2298578052414395
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Energy: 1.2177232124501804
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Energy: 1.217604786171243
Energy: 1.2511465459083555
Energy: 1.2510852481262877
Energy: 1.251146545908909
Energy: 1.2510852481240744
Energy: 1.2511465459078024
Energy: 1.251085248124628
Energy: 1.2511465459094622
Energy: 1.250836152324571
Energy: 1.250915725565699
Energy: 1.250836152324571
Energy: 1.2509157255651457
Energy: 1.2508361523256775
Energy: 1.2509157255662524
Energy: 1.250836152324571
Energy: 1.1772762159196453
Energy: 1.2285157762555734
Energy: 1.177276215920752
Energy: 1.2285157762566803
Energy: 1.1772762159201984
Energy: 1.2285157762555734
Energy: 1.1772762159201984
Energy: 1.1771404100411436
Energy: 1.2599375510409547
Energy: 1.17714041004391
Energy: 1.2599375510387412
Energy: 1.1771404100422502
Energy: 1.2599375510409547
Energy: 1.1771404100422502
Energy: 1.1742805248649213
Energy: 1.1776530362374031
Energy: 1.1742805248632613
Energy: 1.1776530362385098
Energy: 1.1742805248649213
Energy: 1.1776530362374031
Energy: 1.1742805248638146
Energy: 1.2227983719207696
Energy: 1.197781907235624
Energy: 1.2227983719202165
Energy: 1.1977819072367306
Energy: 1.222798371921876
Energy: 1.197781907235624
Energy: 1.2227983719213227
Energy: 1.316820447891043
Energy: 1.2710417975425716
Energy: 1.316820447891043
Energy: 1.2710417975409116
Energy: 1.3168204478899368
Energy: 1.2710417975420183
Energy: 1.3168204478921497
Energy: 1.1670181765787602
Energy: 1.218057117774178
Energy: 1.1670181765804202
Energy: 1.2180571177725181
Energy: 1.1670181765798668
Energy: 1.2180571177708583
Energy: 1.1670181765793137

minimum gb energy = 1.1445259873522966 eV
minimum distance =  2.32133161480815 Angstroms
sigma value = 311


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

Energy: 1.2448835553771738
Energy: 1.2376803524736593
Energy: 1.2340895697158223
Energy: 1.3282790130553113
Energy: 1.2448835553778128
Energy: 1.237680352474298
Energy: 1.2340895697151832
Energy: 1.1525045009386397
Energy: 1.1502431593461122
Energy: 1.1738243595715985
Energy: 1.21785215453025
Energy: 1.1525045009386397
Energy: 1.1502431593467513
Energy: 1.1738243595722373
Energy: 1.1999938683300055
Energy: 1.190388528752876
Energy: 1.2001717996696242
Energy: 1.2395381239937748
Energy: 1.1999938683300055
Energy: 1.1903885287522369
Energy: 1.200171799670263
Energy: 1.255144027797294
Energy: 1.2486484085496035
Energy: 1.2328176545896241
Energy: 1.248648408550881
Energy: 1.255144027797294
Energy: 1.2486484085496035
Energy: 1.2328176545896241
Energy: 1.3202728785989761
Energy: 1.2633485998894871
Energy: 1.3199542107660576
Energy: 1.2633485998894871
Energy: 1.320272878599615
Energy: 1.263348599890765
Energy: 1.3199542107660576
Energy: 1.2079678667390148
Energy: 1.3576018805429038
Energy: 1.2079678667390148
Energy: 1.3521754558391204
Energy: 1.2079678667396536
Energy: 1.3576018805429038
Energy: 1.2079678667390148
Energy: 1.2194089323501605
Energy: 1.3206260647691204
Energy: 1.2194089323501605
Energy: 1.3191383023669896
Energy: 1.2194089323514383
Energy: 1.3206260647703982
Energy: 1.2194089323501605
Energy: 1.265721589198475
Energy: 1.2634684518948662
Energy: 1.2520585157202895
Energy: 1.2634684518942272
Energy: 1.2657215891997526
Energy: 1.2634684518935884
Energy: 1.2520585157202895
Energy: 1.2726112068485649
Energy: 1.2680728588810584
Energy: 1.2518480260891685
Energy: 1.2680728588810584
Energy: 1.2726112068485649
Energy: 1.2680728588804193
Energy: 1.251848026090446
Energy: 1.1965720814792353
Energy: 1.2832957704792103
Energy: 1.1961577620116481
Energy: 1.283618000169699
Energy: 1.1965720814792353
Energy: 1.2832957704785712
Energy: 1.1961577620110093
Energy: 1.1996162015491534
Energy: 1.3024830486488008
Energy: 1.1997406932251105
Energy: 1.3026090835787285
Energy: 1.1996162015491534
Energy: 1.3024830486494399
Energy: 1.1997406932244719
Energy: 1.2659447583735015
Energy: 1.3012708908146025
Energy: 1.2659447583741401
Energy: 1.3002350829454983
Energy: 1.2659447583741401
Energy: 1.3012708908146025
Energy: 1.2659447583741401
Energy: 1.2622428084093118
Energy: 1.2749127841910166
Energy: 1.2622428084093118
Energy: 1.2749127841910166
Energy: 1.2622428084093118
Energy: 1.2749127841910166
Energy: 1.2622428084086728
Energy: 1.1988619667883598
Energy: 1.2115948867438169
Energy: 1.198861966787721
Energy: 1.2115948867444557
Energy: 1.198861966787721
Energy: 1.2115948867450947
Energy: 1.1988619667870821
Energy: 1.2488155673603667
Energy: 1.206097091976991
Energy: 1.2889019997935784
Energy: 1.2052054515912545
Energy: 1.2488155673597279
Energy: 1.206097091976991
Energy: 1.2889019997948563
Energy: 1.1871115512880506
Energy: 1.2671487397565384
Energy: 1.2511229587440849
Energy: 1.2671487397558996
Energy: 1.1871115512880506
Energy: 1.2671487397558996
Energy: 1.251122958743446
Energy: 1.2141057428732704
Energy: 1.2156541128273906
Energy: 1.2152023313011107
Energy: 1.197883779161584
Energy: 1.2141057428739093
Energy: 1.2156541128280296
Energy: 1.2152023312998328
Energy: 1.2156460661037443
Energy: 1.2512905183079077
Energy: 1.215465408476146
Energy: 1.2450371163445975
Energy: 1.2156460661043833
Energy: 1.2512905183091854
Energy: 1.215465408476146
Energy: 1.2833143521929522
Energy: 1.275300422827866
Energy: 1.2833143521929522
Energy: 1.3906378058863231
Energy: 1.283314352193591
Energy: 1.275300422827227
Energy: 1.2833143521923132
Energy: 1.27999977533791
Energy: 1.3402871269586631
Energy: 1.2670120668666514
Energy: 1.3485474330463159
Energy: 1.279999775337271
Energy: 1.340287126959941
Energy: 1.2670120668666514
Energy: 1.1998286092668922
Energy: 1.215335284566411
Energy: 1.199828609267531
Energy: 1.21533528456705
Energy: 1.199828609267531
Energy: 1.21533528456705
Energy: 1.199828609267531
Energy: 1.1933005119458535
Energy: 1.1943409263589417
Energy: 1.1933005119445756
Energy: 1.3257685529806487
Energy: 1.193300511943937
Energy: 1.1943409263595808
Energy: 1.1933005119452145
Energy: 1.2526251159334607
Energy: 1.2181083728352486
Energy: 1.3125581037016254
Energy: 1.3153991148661623
Energy: 1.2719207989400116
Energy: 1.2181083728358875
Energy: 1.2762536730408252
Energy: 1.2404922324686174
Energy: 1.2871846188649876
Energy: 1.287071495348834
Energy: 1.3124995858654331
Energy: 1.2404922324679786
Energy: 1.28718461886371
Energy: 1.2870714953507507
Energy: 1.192397278269713
Energy: 1.2092847616247262
Energy: 1.1926944058817708
Energy: 1.2182286655789063
Energy: 1.1923972782703516
Energy: 1.2092847616240872
Energy: 1.1926944058817708
Energy: 1.2914362868399494
Energy: 1.206833855447043
Energy: 1.2911054668038349
Energy: 1.323238995775791
Energy: 1.2914362868405882
Energy: 1.2068338554476818
Energy: 1.291105466804474
Energy: 1.3136256980391938
Energy: 1.2633421262287539
Energy: 1.3140331067044133
Energy: 1.2633421262281153
Energy: 1.3136256980398326
Energy: 1.263342126229393
Energy: 1.3140331067050521
Energy: 1.2579178230058825
Energy: 1.3421623495276414
Energy: 1.2579178230065216
Energy: 1.3361404873518903
Energy: 1.2579178230058825
Energy: 1.3421623495263637
Energy: 1.2579178230046046
Energy: 1.209487103623752
Energy: 1.2061390304862416
Energy: 1.209487103623752
Energy: 1.2061390304856026
Energy: 1.2094871036250294
Energy: 1.2061390304856026
Energy: 1.209487103623752
Energy: 1.2746344484351202
Energy: 1.2046712822953138
Energy: 1.2342056826336896
Energy: 1.206355164051727
Energy: 1.274634448436398
Energy: 1.2046712822959527
Energy: 1.2342056826336896
Energy: 1.271598749427197
Energy: 1.2675559578596738
Energy: 1.251851224650569
Energy: 1.2675559578590347
Energy: 1.271598749425919
Energy: 1.2675559578596738
Energy: 1.2518512246512081
Energy: 1.2022355103665088
Energy: 1.2865674730015653
Energy: 1.2031289203278561
Energy: 1.268154649818537
Energy: 1.2022355103665088
Energy: 1.2865674730002878
Energy: 1.2031289203272173
Energy: 1.2005341641798661
Energy: 1.2285499483930165
Energy: 1.2006473079795434
Energy: 1.228915746115016
Energy: 1.2005341641805052
Energy: 1.2285499483936553
Energy: 1.2006473079795434
Energy: 1.2685735652101213
Energy: 1.2611906371843287
Energy: 1.2685735652094823
Energy: 1.2443753381751324
Energy: 1.2685735652094823
Energy: 1.2611906371836898
Energy: 1.2685735652107601
Energy: 1.3806830244432615
Energy: 1.2717102069539312
Energy: 1.3309507373996232
Energy: 1.2677653310853816
Energy: 1.3806830244426225
Energy: 1.2717102069539312
Energy: 1.3309507373989844
Energy: 1.197124353596253
Energy: 1.218229644547436
Energy: 1.197124353596253
Energy: 1.218229644547436
Energy: 1.1971243535975309
Energy: 1.218229644548075
Energy: 1.197124353596253

minimum gb energy = 1.1502431593461122 eV
minimum distance =  2.22412872182506 Angstroms
sigma value = 39


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

Energy: 1.1881649518802309
Energy: 1.2273041423736248
Energy: 1.188164951881739
Energy: 1.2273041423736248
Energy: 1.1881649518794768
Energy: 1.2273041423728708
Energy: 1.188164951880985
Energy: 1.2347490514417303
Energy: 1.0961284559961868
Energy: 1.2347490514402224
Energy: 1.0961284559969409
Energy: 1.2347490514409765
Energy: 1.0961284559969409
Energy: 1.2347490514417303
Energy: 1.152375589389202
Energy: 1.1292020655676567
Energy: 1.1523755893899559
Energy: 1.1292020655661488
Energy: 1.1523755893907102
Energy: 1.1292020655669026
Energy: 1.1523755893907102
Energy: 1.2483044778269596
Energy: 1.095764070998106
Energy: 1.2483044778269596
Energy: 1.095764070997352
Energy: 1.2483044778269596
Energy: 1.095764070997352
Energy: 1.2483044778262056
Energy: 1.2323733797688723
Energy: 1.0969921162967025
Energy: 1.2323733797688723
Energy: 1.0969921162982106
Energy: 1.2323733797703802
Energy: 1.0969921162974565
Energy: 1.2323733797703802
Energy: 1.2479822476811981
Energy: 1.1506106273198355
Energy: 1.247982247678936
Energy: 1.1506106273198355
Energy: 1.2479822476804443
Energy: 1.1506106273205896
Energy: 1.2479822476811981
Energy: 1.2967280374852013
Energy: 1.1930288291601743
Energy: 1.2967280374859556
Energy: 1.1930288291601743
Energy: 1.2967280374852013
Energy: 1.1930288291601743
Energy: 1.2967280374852013
Energy: 1.2169560063626979
Energy: 1.1574420364966211
Energy: 1.2169560063619438
Energy: 1.1574420364943592
Energy: 1.2169560063619438
Energy: 1.157442036495867
Energy: 1.2169560063626979
Energy: 1.2529714115585013
Energy: 1.1577908578967087
Energy: 1.2529714115600092
Energy: 1.1577908578959548
Energy: 1.2529714115592554
Energy: 1.1577908578959548
Energy: 1.2529714115585013
Energy: 1.154641653392625
Energy: 1.203073067288877
Energy: 1.154641653392625
Energy: 1.203073067288877
Energy: 1.154641653393379
Energy: 1.2030730672903849
Energy: 1.154641653392625
Energy: 1.2340391669951793
Energy: 1.1973476541272616
Energy: 1.2340391669951793
Energy: 1.1973476541272616
Energy: 1.2340391669951793
Energy: 1.1973476541280157
Energy: 1.2340391669959332
Energy: 1.1519448035209692
Energy: 1.09574471552102
Energy: 1.151944803519461
Energy: 1.095744715520266
Energy: 1.151944803519461
Energy: 1.09574471552102
Energy: 1.151944803520215
Energy: 1.1878277928397931
Energy: 1.1119553398228854
Energy: 1.187827792838285
Energy: 1.1119553398228854
Energy: 1.1878277928397931
Energy: 1.1119553398236397
Energy: 1.1878277928397931
Energy: 1.1546890454823753
Energy: 1.0962914146537421
Energy: 1.1546890454816212
Energy: 1.0962914146529883
Energy: 1.1546890454816212
Energy: 1.0962914146529883
Energy: 1.1546890454823753
Energy: 1.318371946206895
Energy: 1.158905000898087
Energy: 1.2670285011274065
Energy: 1.158905000897333
Energy: 1.318371946206895
Energy: 1.158905000898087
Energy: 1.2670285011266524
Energy: 1.1546422522373776
Energy: 1.1504372453609166
Energy: 1.1546422522358697
Energy: 1.1504372453616707
Energy: 1.1546422522358697
Energy: 1.1504372453601628
Energy: 1.1546422522373776
Energy: 1.266842093869352
Energy: 1.1573355192824275
Energy: 1.2668420937954925
Energy: 1.1573355192816737
Energy: 1.2668420938512555
Energy: 1.1573355192824275
Energy: 1.2668420938075569
Energy: 1.2143080406689015
Energy: 1.1575099827884336
Energy: 1.2143080406689015
Energy: 1.1575099827891877
Energy: 1.2143080406696556
Energy: 1.1575099827899415
Energy: 1.2143080406689015
Energy: 1.217696665548138
Energy: 1.1857812747098868
Energy: 1.2578522777039685
Energy: 1.185781274711395
Energy: 1.2324464497130136
Energy: 1.1857812747091327
Energy: 1.2324464497107517
Energy: 1.154526735732885
Energy: 1.2018660204117237
Energy: 1.154526735731377
Energy: 1.2018660204117237
Energy: 1.154526735731377
Energy: 1.2018660204132317
Energy: 1.1545267357321312
Energy: 1.2299261969619897
Energy: 1.0964272914605968
Energy: 1.2299261969627437
Energy: 1.096427291459843
Energy: 1.2299261969627437
Energy: 1.0964272914605968
Energy: 1.2299261969619897
Energy: 1.1527478124399826
Energy: 1.095627872715773
Energy: 1.1527478124399826
Energy: 1.095627872715773
Energy: 1.1527478124407367
Energy: 1.095627872715773
Energy: 1.1527478124407367
Energy: 1.2769245072463944
Energy: 1.1314419736306496
Energy: 1.2769245072463944
Energy: 1.1314419736306496
Energy: 1.2769245072456403
Energy: 1.1314419736306496
Energy: 1.3470680115883233
Energy: 1.232881163574534
Energy: 1.0954821523110123
Energy: 1.2328811635752879
Energy: 1.0954821523102583
Energy: 1.232881163576042
Energy: 1.0954821523095044
Energy: 1.2328811635752879
Energy: 1.2486027914676698
Energy: 1.1523356015034127
Energy: 1.2486027914669158
Energy: 1.1523356015026587
Energy: 1.2486027914669158
Energy: 1.1523356015034127
Energy: 1.2486027914669158
Energy: 1.2358269600905873
Energy: 1.1514522857491296
Energy: 1.2358269600905873
Energy: 1.1514522857491296
Energy: 1.2358269600898333
Energy: 1.1514522857491296
Energy: 1.2358269600905873
Energy: 1.2128182242791903
Energy: 1.181344178829504
Energy: 1.2128182242791903
Energy: 1.181344178829504
Energy: 1.2128182242784364
Energy: 1.181344178829504
Energy: 1.2128182242776824
Energy: 1.234957700539616
Energy: 1.1589192272962892
Energy: 1.2349577005388621
Energy: 1.1589192272970432
Energy: 1.234957700538108
Energy: 1.1589192272962892
Energy: 1.234957700537354
Energy: 1.1881649518794768
Energy: 1.2273041423736248
Energy: 1.188164951881739
Energy: 1.2273041423736248
Energy: 1.1881649518802309
Energy: 1.2273041423736248
Energy: 1.188164951880985
Energy: 1.2347490514409765
Energy: 1.0961284559961868
Energy: 1.2347490514402224
Energy: 1.0961284559969409
Energy: 1.2347490514417303
Energy: 1.0961284559969409
Energy: 1.2347490514417303

minimum gb energy = 1.0954821523095044 eV
minimum distance =  2.28537774247849 Angstroms
sigma value = 21


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

Energy: 1.1387755494594807
Energy: 1.124270344162343
Energy: 1.1387755494585656
Energy: 1.124270344162343
Energy: 1.1387755494585656
Energy: 1.124270344162343
Energy: 1.1387755494585656
Energy: 1.0898356611935935
Energy: 1.0659121299272374
Energy: 1.0898356611935935
Energy: 1.0659121299272374
Energy: 1.0898356611935935
Energy: 1.0659121299272374
Energy: 1.0898356611935935
Energy: 1.1121144839663488
Energy: 1.095933622737166
Energy: 1.1121144839663488
Energy: 1.095933622737166
Energy: 1.1121144839663488
Energy: 1.095933622737166
Energy: 1.1121144839663488
Energy: 1.0417240362668696
Energy: 1.0525340127909737
Energy: 1.0417240362668696
Energy: 1.0525340126628882
Energy: 1.0417240362668696
Energy: 1.0525340127232592
Energy: 1.0417240362668696
Energy: 1.0117810156029965
Energy: 1.0536641033800258
Energy: 1.0117810156029965
Energy: 1.0536641033800258
Energy: 1.0117810156029965
Energy: 1.0536641033800258
Energy: 1.0117810156029965
Energy: 1.0247152358746616
Energy: 1.0935633091541408
Energy: 1.0247152358737461
Energy: 1.0935633091541408
Energy: 1.0247152358746616
Energy: 1.0935633091541408
Energy: 1.0247152358737461
Energy: 0.9703478728782116
Energy: 1.00522920535875
Energy: 0.9703478728782116
Energy: 1.0052292050156426
Energy: 0.9703478728782116
Energy: 1.0052292803340181
Energy: 0.9703478728782116
Energy: 0.9863959853135943
Energy: 1.0715795401818247
Energy: 0.9863959853135943
Energy: 1.0715795401809094
Energy: 0.9863959853145098
Energy: 1.0715795401818247
Energy: 0.9863959853145098
Energy: 1.0423879668378653
Energy: 1.024815310140884
Energy: 1.0423879668378653
Energy: 1.024815310140884
Energy: 1.0423879668378653
Energy: 1.024815310140884
Energy: 1.0423879668378653
Energy: 1.0419598752393817
Energy: 1.2440218338957842
Energy: 1.0419598752384662
Energy: 1.2440218338957842
Energy: 1.0419598752384662
Energy: 1.2440218338957842
Energy: 1.0419598752384662
Energy: 0.9705305258019153
Energy: 1.071489040401356
Energy: 0.9705305258019153
Energy: 1.0714890404022712
Energy: 0.9705305258019153
Energy: 1.0714890404031865
Energy: 0.9705305258019153
Energy: 0.9861764589203889
Energy: 1.0771343432509821
Energy: 0.9861764589194734
Energy: 1.0771343432509821
Energy: 0.9861764589203889
Energy: 1.0771343432509821
Energy: 0.9861764589194734
Energy: 1.042378940880426
Energy: 1.0248382972568821
Energy: 1.042378940880426
Energy: 1.0248382972577976
Energy: 1.042378940880426
Energy: 1.0248382972568821
Energy: 1.042378940880426
Energy: 1.0631698265536476
Energy: 1.0537062861465771
Energy: 1.063169826552732
Energy: 1.0537062861493232
Energy: 1.063169826552732
Energy: 1.0537062861511537
Energy: 1.063169826552732
Energy: 1.0888571939204073
Energy: 1.0714846149526456
Energy: 1.0888571931125144
Energy: 1.07148461495173
Energy: 1.0888571962004188
Energy: 1.0714846149526456
Energy: 1.0888571944711933
Energy: 1.0906622870651865
Energy: 1.03303469438248
Energy: 1.090662287064271
Energy: 1.0330346943815853
Energy: 1.0906622870651865
Energy: 1.03303469438248
Energy: 1.090662287066102
Energy: 1.105422721749423
Energy: 1.0567735475207771
Energy: 1.1054227217503383
Energy: 1.0567735475216924
Energy: 1.1054227217503383
Energy: 1.0567735475207771
Energy: 1.1054227217503383
Energy: 1.0962110102651692
Energy: 1.0537384540480732
Energy: 1.0962110102651692
Energy: 1.0537384540489882
Energy: 1.0962110102651692
Energy: 1.0537384540499037
Energy: 1.0962110102660847
Energy: 1.003630487515709
Energy: 1.0717075355757628
Energy: 1.0036306339821857
Energy: 1.0717075355757628
Energy: 1.0036304554426632
Energy: 1.0717075355748475
Energy: 1.003630455495732
Energy: 0.986066176228211
Energy: 1.0244218831170027
Energy: 0.9860661762291262
Energy: 1.0244218831170027
Energy: 0.986066176228211
Energy: 1.0244218831170027
Energy: 0.9860661762291262
Energy: 1.0420339113874992
Energy: 1.0251931262674845
Energy: 1.0420339113874992
Energy: 1.0251931261274994
Energy: 1.0420339113874992
Energy: 1.0251931261403142
Energy: 1.0420339113874992
Energy: 0.9705669846420233
Energy: 1.0318551363364
Energy: 0.970566984641108
Energy: 1.031855136341892
Energy: 0.970566984641108
Energy: 1.0318551363382304
Energy: 0.970566984641108
Energy: 0.9711348182044935
Energy: 1.0716407711433846
Energy: 0.9711348182044935
Energy: 1.0716407711424694
Energy: 0.9711348182054089
Energy: 1.0716407711433846
Energy: 0.9711348182044935
Energy: 1.0414033838712637
Energy: 1.024220546474563
Energy: 1.0414033838703483
Energy: 1.024220546474563
Energy: 1.0414033838703483
Energy: 1.024220546474563
Energy: 1.0414033838703483
Energy: 1.0422056086495044
Energy: 1.009960972972992
Energy: 1.042205608648589
Energy: 1.0099609729711614
Energy: 1.0422056086495044
Energy: 1.0099609729720769
Energy: 1.042205608648589

minimum gb energy = 0.9703478728782116 eV
minimum distance =  2.32854021510705 Angstroms
sigma value = 113


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

Energy: 0.9923623613877248
Energy: 1.2066460963853611
Energy: 0.9923623613892575
Energy: 1.2066460963833174
Energy: 0.9923623613877248
Energy: 1.2066460963843393
Energy: 0.9923623613913007
Energy: 1.0056988441535462
Energy: 0.9583097188459391
Energy: 1.005698844150481
Energy: 0.9583097188438956
Energy: 1.0056988441525245
Energy: 0.9583097188444065
Energy: 1.0056988441499701
Energy: 0.9994366662379827
Energy: 0.9761418078082891
Energy: 0.9994366662400259
Energy: 0.9761418078067566
Energy: 0.9994366662395152
Energy: 0.9761418078077783
Energy: 0.9994366662400259
Energy: 0.9544537267243021
Energy: 0.9454790367912161
Energy: 0.9544537267248129
Energy: 0.9454790367927488
Energy: 0.9544537267253237
Energy: 0.9454790367907053
Energy: 0.9544537267243021
Energy: 0.9254556791639104
Energy: 1.0685069238539073
Energy: 0.9254556791618671
Energy: 1.068506923851353
Energy: 0.9254556791608454
Energy: 1.068506923854929
Energy: 0.9254556791623779
Energy: 0.9422023108860218
Energy: 0.9582922737196806
Energy: 0.9422023108865326
Energy: 0.9582922737191698
Energy: 0.9422023108860218
Energy: 0.958292273718148
Energy: 0.9422023108870435
Energy: 0.9313150831148479
Energy: 0.9329458524810783
Energy: 0.9313150831158696
Energy: 0.9329458525116829
Energy: 0.9313150831143371
Energy: 0.9329458525459099
Energy: 0.9313150831143371
Energy: 0.9456780231946287
Energy: 0.9144459624879175
Energy: 0.9456780231930961
Energy: 0.9144459624879175
Energy: 0.9456780231946287
Energy: 0.9144459624879175
Energy: 0.9456780231925852
Energy: 0.9362684068395585
Energy: 1.0180386950454052
Energy: 0.9362684068431342
Energy: 1.0180386950433618
Energy: 0.9362684068400693
Energy: 1.0180386950474487
Energy: 0.9362684068431342
Energy: 0.9558367879072995
Energy: 0.9192472064418198
Energy: 0.9558367879078102
Energy: 0.9192472064407983
Energy: 0.9558367879067887
Energy: 0.9192472064392657
Energy: 0.9558367879078102
Energy: 0.8919206816914024
Energy: 0.9040922584190336
Energy: 0.8919206816914024
Energy: 0.9040922584154576
Energy: 0.8919206816898698
Energy: 0.9040922584154576
Energy: 0.8919206816903806
Energy: 0.9306429258292206
Energy: 0.9238217966076755
Energy: 0.9306429258302423
Energy: 0.9238217966086971
Energy: 0.9306429258281991
Energy: 0.9238217966081863
Energy: 0.9306429258302423
Energy: 0.8615707176554428
Energy: 1.0906465405069636
Energy: 0.8615707176605513
Energy: 1.0906465405105394
Energy: 0.8615707176539102
Energy: 1.090646540505942
Energy: 0.8615707176574863
Energy: 0.9177225829051152
Energy: 0.921216075744595
Energy: 0.9177225829061368
Energy: 0.9212160757471493
Energy: 0.9177225829061368
Energy: 0.921216075744084
Energy: 0.917722582905626
Energy: 0.9221896829391103
Energy: 0.8880864564028998
Energy: 0.9221896829375779
Energy: 0.8880864563206993
Energy: 0.9221896829391103
Energy: 0.888086456581605
Energy: 0.9221896829375779
Energy: 0.9168996462138017
Energy: 1.0895516772564706
Energy: 0.91689964621278
Energy: 1.0895516772544271
Energy: 0.916899646215845
Energy: 1.0895516772564706
Energy: 0.9168996462132908
Energy: 0.8611167366361673
Energy: 0.9118399909645659
Energy: 0.861116736640765
Energy: 0.9118399909650767
Energy: 0.8611167366310588
Energy: 0.9118399909650767
Energy: 0.8611167366315697
Energy: 0.9202899083938545
Energy: 0.9238391993087032
Energy: 0.9202899083943653
Energy: 0.9238391993117683
Energy: 0.9202899083948762
Energy: 0.9238391993102357
Energy: 0.9202899083943653
Energy: 0.9242224006535174
Energy: 0.8879099426441244
Energy: 0.9242224006550499
Energy: 0.8879099427069591
Energy: 0.9242224006555607
Energy: 0.887909942645146
Energy: 0.9242224006540283
Energy: 0.9224584971258805
Energy: 1.0012385458279174
Energy: 0.9224584971258805
Energy: 1.0012385458274067
Energy: 0.9224584971253695
Energy: 1.0012385458274067
Energy: 0.9224584971253695
Energy: 0.9249407357172024
Energy: 0.9011729914087004
Energy: 0.9249407357187349
Energy: 0.9011729914097223
Energy: 0.9249407357172024
Energy: 0.9011729914087004
Energy: 0.924940735718224
Energy: 0.9359061177170065
Energy: 0.8840708176758476
Energy: 0.9359061177159851
Energy: 0.8840707238249649
Energy: 0.9359061177159851
Energy: 0.8840707378549093
Energy: 0.9359061177170065
Energy: 0.92530959307393
Energy: 0.9004385928820614
Energy: 0.92530959307393
Energy: 0.9004385928841048
Energy: 0.9253095930729084
Energy: 0.9004385928825723
Energy: 0.92530959307393
Energy: 0.9141177803506396
Energy: 0.9532450603794579
Energy: 0.91411778035677
Energy: 0.953245060378436
Energy: 0.9141177803756252
Energy: 0.953245060378947
Energy: 0.9141177803700057
Energy: 1.01961722265242
Energy: 0.9389289783799396
Energy: 1.0196172226508875
Energy: 0.9389289783809611
Energy: 1.0196172226519093
Energy: 0.9389289783804504
Energy: 1.0196172226508875
Energy: 0.990090131194743
Energy: 0.9421819565012897
Energy: 0.9900901311962756
Energy: 0.9421819565007787
Energy: 0.990090131194743
Energy: 0.9421819565007787
Energy: 0.9900901311962756
Energy: 0.9931521526656978
Energy: 0.9376725805544557
Energy: 0.9931521526651869
Energy: 0.9376725805580314
Energy: 0.9931521526656978
Energy: 0.9376725805549663
Energy: 0.9931521526636543
Energy: 0.976381543151171
Energy: 1.1567373062719866
Energy: 0.9763815431889741
Energy: 1.1567373062719866
Energy: 0.9763815433472451
Energy: 1.1567373062724975
Energy: 0.9763815432619793
Energy: 1.0789086680957376
Energy: 0.9537352010076136
Energy: 1.0789086680967592
Energy: 0.9537352010019942
Energy: 1.0789086680962485
Energy: 0.9537352009938206
Energy: 1.0789086680967592
Energy: 0.9862453059052821
Energy: 0.9423411644609133
Energy: 0.9862453059037496
Energy: 0.9423411644604025
Energy: 0.9862453059052821
Energy: 0.9423411644614244
Energy: 0.986245305902728
Energy: 0.9283425024149534
Energy: 0.9452106290237475
Energy: 0.9283425024118881
Energy: 0.9452106290283452
Energy: 0.9283425024144424
Energy: 0.9452106290247693
Energy: 0.9283425024129098
Energy: 0.9140871716708
Energy: 1.127314519766169
Energy: 0.9140871715507962
Energy: 1.127314519765147
Energy: 0.9140871716320216
Energy: 1.1273145197666796
Energy: 0.914087171592686
Energy: 0.9122601102217022
Energy: 0.9579325599078449
Energy: 0.9122601102084201
Energy: 0.9579325599088666
Energy: 0.9122601102706974
Energy: 0.9579325599078449
Energy: 0.9122601101762363
Energy: 0.9161131003945919
Energy: 0.883574676687847
Energy: 0.9161131003971461
Energy: 0.883574676684271
Energy: 0.9161131003956134
Energy: 0.883574676687847
Energy: 0.9161131003966353
Energy: 0.9437817055630762
Energy: 0.9146257037915976
Energy: 0.9437817055635871
Energy: 0.9146257037921083
Energy: 0.9437817055625654
Energy: 0.9146257037915976
Energy: 0.9437817055640979
Energy: 0.9007934329543476
Energy: 1.0821869362047014
Energy: 0.900793432952815
Energy: 1.0821869362016363
Energy: 0.9007934329538367
Energy: 1.0821869362047014
Energy: 0.9007934329543476
Energy: 0.9254011491132533
Energy: 0.919863721438184
Energy: 0.9254011491163184
Energy: 0.919863721438184
Energy: 0.925401149114275
Energy: 0.919863721438184
Energy: 0.9254011491158075
Energy: 0.9077028191627452
Energy: 0.8935623387815872
Energy: 0.907702819163256
Energy: 0.8935623387820981
Energy: 0.9077028191617235
Energy: 0.8935623387800546
Energy: 0.907702819163256
Energy: 0.9280320364191929
Energy: 0.8998298365780827
Energy: 0.9280320364191929
Energy: 0.899829836580126
Energy: 0.9280320364191929
Energy: 0.899829836577572
Energy: 0.9280320364191929
Energy: 0.875593715234133
Energy: 1.06613990569043
Energy: 0.8755937152351546
Energy: 1.0661399056909409
Energy: 0.8755937152361765
Energy: 1.0661399056909409
Energy: 0.8755937152346438
Energy: 0.917554766858868
Energy: 0.9198765395119433
Energy: 0.9175547668568247
Energy: 0.9198765395109216
Energy: 0.917554766858868
Energy: 0.9198765395124541
Energy: 0.9175547668563138
Energy: 0.9211821463241122
Energy: 0.8910894004588619
Energy: 0.921182146325134
Energy: 0.8910894004557967
Energy: 0.9211821463246231
Energy: 0.8910894004588619
Energy: 0.921182146325134
Energy: 0.9184731328080984
Energy: 1.086386268480498
Energy: 0.9184731328086092
Energy: 1.0863862684794763
Energy: 0.9184731328080984
Energy: 1.0863862684810088
Energy: 0.9184731328090736
Energy: 0.8754146605286753
Energy: 0.9004011308420815
Energy: 0.8754146605256101
Energy: 0.9004011308456573
Energy: 0.8754146605276537
Energy: 0.9004011308420815
Energy: 0.8754146605266319
Energy: 0.9175961029432105
Energy: 0.9288837840355486
Energy: 0.9175961029432105
Energy: 0.9288837840355486
Energy: 0.9175961029432105
Energy: 0.9288837840370813
Energy: 0.9175961029426997

minimum gb energy = 0.8611167366310588 eV
minimum distance =  2.30834598989696 Angstroms
sigma value = 365


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

Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 1.759430482119431
Energy: 1.0754568205622397
Energy: 1.759430482119431
Energy: 1.0754568205633916
Energy: 1.7594304821171276
Energy: 1.0754568205622397
Energy: 1.7658919594537972
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.33804352950292704
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 2.6274163317506107
Energy: 1.0754568205622397
Energy: 2.627416328692846
Energy: 1.0754568205622397
Energy: 2.627416340613083
Energy: 1.0754568205622397
Energy: 2.5188321323200737
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 1.7594304821182791
Energy: 1.0754568205633916
Energy: 1.7594304821182791
Energy: 1.0754568205633916
Energy: 1.7594304821182791
Energy: 1.0754568205633916
Energy: 1.7658844795579078
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 1.934751208293702
Energy: 1.0754568205622397
Energy: 1.9347512086552034
Energy: 1.0754568205622397
Energy: 1.934751208313282
Energy: 1.0754568205622397
Energy: 1.9347512082833362
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 1.759430482119431
Energy: 1.0754568205633916
Energy: 1.759430482119431
Energy: 1.0754568205622397
Energy: 1.759430482119431
Energy: 1.0754568205633916
Energy: 1.765813276693136
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.32507545041267627
Energy: 0.33804352950292704
Energy: 0.32507545041267627
Energy: 1.9347512083075233
Energy: 1.0754568205622397
Energy: 1.9347512082960057
Energy: 1.0754568205622397
Energy: 1.9347512083627825
Energy: 1.0754568205633916
Energy: 1.9347512082775769
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 1.934751208325926
Energy: 1.0754568205633916
Energy: 1.9347512082764253
Energy: 1.0754568205633916
Energy: 1.9347512084606315
Energy: 1.0754568205633916
Energy: 1.9347512082810323
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.33804352950292704
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 1.934751208317863
Energy: 1.0754568205622397
Energy: 1.9347512086321683
Energy: 1.0754568205633916
Energy: 1.9347512083950063
Energy: 1.0754568205622397
Energy: 1.934751208282184
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 1.9347512091467778
Energy: 1.0754568205622397
Energy: 1.9347512085181946
Energy: 1.0754568205633916
Energy: 1.9347512083052198
Energy: 1.0754568205622397
Energy: 1.9347512083086753
Energy: 0.325075450413828
Energy: 0.33804352950292704
Energy: 0.32507545041267627
Energy: 0.3380435295017752
Energy: 0.325075450413828
Energy: 0.33804352950292704
Energy: 0.32507545041267627
Energy: 1.934751208289095
Energy: 1.0754568205622397
Energy: 1.9347512082902465
Energy: 1.0754568205622397
Energy: 1.9347512082844878
Energy: 1.0754568205622397
Energy: 1.934751208930348

minimum gb energy = 0.32507545041267627 eV
minimum distance =  2.31477894416513 Angstroms
sigma value = 23