Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_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=2.863645762205124
cohesive_energy=4.290547094706602
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: 0.016181394153484647
Energy: 0.16762949068915445
Energy: 0.01618139415307659
Energy: 0.1676294906895625
Energy: 0.01618139415307659
Energy: 0.16762949068915445
Energy: 0.01618139415307659
Energy: 0.016735305672340942
Energy: 0.6340332257195148
Energy: 0.016735305671932883
Energy: 0.6340332257191068
Energy: 0.016735305671524828
Energy: 0.6340332257191068
Energy: 0.016735305671524828
Energy: 0.4850758634271415
Energy: 0.5594702045155306
Energy: 0.4850758634271415
Energy: 0.5594702045159387
Energy: 0.4850758634271415
Energy: 0.5594702045159387
Energy: 0.4850758634271415
Energy: 0.01673530567116211
Energy: 0.6340332257191068
Energy: 0.016735305671524828
Energy: 0.6340332257187441
Energy: 0.01673530567116211
Energy: 0.6340332257191068
Energy: 0.016735305671524828
Energy: 0.016181394153484647
Energy: 0.16762949068915445
Energy: 0.016181394153484647
Energy: 0.1676294906895625
Energy: 0.016181394153484647
Energy: 0.1676294906895625
Energy: 0.016181394153484647
Energy: 0.016735305671524828
Energy: 0.6340332257187441
Energy: 0.016735305671524828
Energy: 0.6340332257191068
Energy: 0.016735305671524828
Energy: 0.6340332257187441
Energy: 0.016735305671524828

minimum gb energy = 0.01618139415307659 eV
minimum distance =  2.47653260902463 Angstroms
sigma value = 5


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

Energy: 1.2893929051515907
Energy: 1.263558688546592
Energy: 1.2893929051554902
Energy: 1.2635586884360313
Energy: 1.2893929051515907
Energy: 1.2635586891171644
Energy: 1.2893929051554902
Energy: 1.194705208211595
Energy: 1.1745532510417551
Energy: 1.1947052082140321
Energy: 1.1745884246870488
Energy: 1.1947052082154943
Energy: 1.1745576684870471
Energy: 1.1947052082130571
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Energy: 1.183163231385448
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Energy: 1.1831632313883729
Energy: 1.131891041542329
Energy: 1.1831632313839857
Energy: 1.1318910415437913
Energy: 1.138179521048905
Energy: 1.2103711425929955
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Energy: 1.2103711425929955
Energy: 1.138179521048905
Energy: 1.2103711425929955
Energy: 1.138179521048905
Energy: 1.1361015856384782
Energy: 1.2096495480103189
Energy: 1.136101585639453
Energy: 1.2096495480103189
Energy: 1.1361015856389656
Energy: 1.2096495480103189
Energy: 1.1361015856384782
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Energy: 1.2442440110801045
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Energy: 1.244244011080592
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Energy: 1.2462723945116934
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Energy: 1.2462723945141305
Energy: 1.2266659256972763
Energy: 1.2462723945116934
Energy: 1.2266659256963013
Energy: 1.1733861558166747
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Energy: 1.2440127185888286
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Energy: 1.1268198566026972
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Energy: 1.1793126674585994
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Energy: 1.1793126674561625
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Energy: 1.1572511602736766
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Energy: 1.1394986011782275
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Energy: 1.2272059242011908
Energy: 1.1861632624543443
Energy: 1.2272059241992412
Energy: 1.186163262453857
Energy: 1.2272059241987536
Energy: 1.186163262453857
Energy: 1.2272059241982662
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Energy: 1.1852854301458602
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Energy: 1.177423248331298
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Energy: 1.1241344344432962
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Energy: 1.1630302341715415
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Energy: 1.2527794286995644
Energy: 1.225932839352718
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Energy: 1.2527794286995644
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Energy: 1.2218401404924615
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Energy: 1.2218401372421568
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Energy: 1.255397886663434
Energy: 1.2218401344016578
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Energy: 1.1715392224081882
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Energy: 1.135710492290685
Energy: 1.1715392224077008
Energy: 1.1357104922955594
Energy: 1.187850003366119
Energy: 1.1587061249227852
Energy: 1.1878500033933714
Energy: 1.1587061249237602
Energy: 1.187850003374893
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Energy: 1.1878500033646566
Energy: 1.1211591814615016
Energy: 1.1693372986458797
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Energy: 1.1693372986483168
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Energy: 1.1693372986458797
Energy: 1.1211591814590642
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Energy: 1.261069503018596
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Energy: 1.2610695030181085
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Energy: 1.2447225988730544
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Energy: 1.2447225988754915
Energy: 1.219935464248974
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Energy: 1.1876720745970457
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Energy: 1.1667298003082394
Energy: 1.1986131900386092
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Energy: 1.198613190039584
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Energy: 1.1230700008548775
Energy: 1.1601261229693527
Energy: 1.123070000858777
Energy: 1.134516067739026
Energy: 1.1709876961674326
Energy: 1.1345160677380512
Energy: 1.1709876961669454
Energy: 1.1345160677395134
Energy: 1.17098769616792
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Energy: 1.132236765005345
Energy: 1.215200878736183
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Energy: 1.2152008787347206
Energy: 1.1322367650058325
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Energy: 1.2236954916515412
Energy: 1.2485479732451688
Energy: 1.2236954916510538
Energy: 1.2485479732471185
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Energy: 1.2485479732456561
Energy: 1.2236954916500788
Energy: 1.1890949266582564
Energy: 1.246128702827583
Energy: 1.1890949270899522
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Energy: 1.1890949398498871
Energy: 1.2461287028280705
Energy: 1.1890949227672762
Energy: 1.180196128667146
Energy: 1.244175294166453
Energy: 1.1801961286700708
Energy: 1.2441752941659656
Energy: 1.180196128667146
Energy: 1.244175294166453
Energy: 1.180196128667146
Energy: 1.1753899112154373
Energy: 1.2124316511847968
Energy: 1.175389911215925
Energy: 1.2124316511847968
Energy: 1.1753899112154373
Energy: 1.2124316511843094
Energy: 1.175389911215925
Energy: 1.1221409622273721
Energy: 1.1371806516820273
Energy: 1.1221409623345648
Energy: 1.1371806516810523
Energy: 1.1221409623881393
Energy: 1.1371806516820273
Energy: 1.122140962296057
Energy: 1.237826740713475
Energy: 1.1604462403102105
Energy: 1.2378267407115253
Energy: 1.1604462403102105
Energy: 1.23782674071445
Energy: 1.1604462403048488
Energy: 1.2378267407100632
Energy: 1.1885838578277779
Energy: 1.147951548025655
Energy: 1.1885838578272905
Energy: 1.1479515480241926
Energy: 1.1885838578277779
Energy: 1.1479515480261426
Energy: 1.188583857826803
Energy: 1.1735480737722233
Energy: 1.206925158520197
Energy: 1.173548073758575
Energy: 1.206925158520197
Energy: 1.1735480737556503
Energy: 1.2069251585197096
Energy: 1.1735480737546755
Energy: 1.1585310827614896
Energy: 1.2038798945161107
Energy: 1.158531082761002
Energy: 1.203879894515623
Energy: 1.158531082761002
Energy: 1.203879894516598
Energy: 1.1585310827605146
Energy: 1.1356990622923022
Energy: 1.183665769883925
Energy: 1.1356990622918146
Energy: 1.18366576988295
Energy: 1.1356990622923022
Energy: 1.1836657698844124
Energy: 1.1356990622913272
Energy: 1.131822292190062
Energy: 1.1784417723902505
Energy: 1.1318222921915244
Energy: 1.1784417723912255
Energy: 1.1318222921915244
Energy: 1.1784417723902505
Energy: 1.131822292192012
Energy: 1.1568556417195472
Energy: 1.195553352804472
Energy: 1.1568556417180849
Energy: 1.1955533528030098
Energy: 1.1568556417195472
Energy: 1.1955533528039846
Energy: 1.1568556417190596

minimum gb energy = 1.1211591814590642 eV
minimum distance =  2.31297763538991 Angstroms
sigma value = 401


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

Energy: 1.2814697261090058
Energy: 1.2856546933851536
Energy: 1.2814697261095591
Energy: 1.2856546933851536
Energy: 1.2814697261095591
Energy: 1.2856546933846003
Energy: 1.2814697261112191
Energy: 1.1725006920972714
Energy: 1.2179358880871365
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Energy: 1.144518166893111
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Energy: 1.1742780033456246
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Energy: 1.2856546933879203
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Energy: 1.2179358880705375
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Energy: 1.2179358880688778
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Energy: 1.2179358880650044
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Energy: 1.2210759179955504
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Energy: 1.1445181668953244
Energy: 1.2720344358628117
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Energy: 1.2179754537593102
Energy: 1.2298334735978491
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Energy: 1.229833473595636
Energy: 1.2179754537587568
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Energy: 1.2177496581879879
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Energy: 1.230205763219707
Energy: 1.217749658188541
Energy: 1.2510257077859146
Energy: 1.251332700470391
Energy: 1.2510257077853613
Energy: 1.251332700470944
Energy: 1.251025707783148
Energy: 1.2513327004698376
Energy: 1.251025707783148
Energy: 1.250830199778107
Energy: 1.250894683251507
Energy: 1.2508301997764468
Energy: 1.2508946832520607
Energy: 1.250830199778107
Energy: 1.2508946832509538
Energy: 1.2508301997786602
Energy: 1.177746934220459
Energy: 1.2285075991498533
Energy: 1.177746934218799
Energy: 1.228507599151513
Energy: 1.177746934218799
Energy: 1.2285075991498533
Energy: 1.1777469342171392
Energy: 1.1771323205639965
Energy: 1.2599316315572584
Energy: 1.1771323205628896
Energy: 1.2599316315572584
Energy: 1.1771323205612299
Energy: 1.2599316315572584
Energy: 1.177132320563443
Energy: 1.1742780033456246
Energy: 1.177645177061316
Energy: 1.1742780033439646
Energy: 1.1776451770618694
Energy: 1.174278003346178
Energy: 1.1776451770602097
Energy: 1.1742780033456246
Energy: 1.2225920247501532
Energy: 1.1976118354433343
Energy: 1.2225920247490465
Energy: 1.1976118354433343
Energy: 1.2225920247490465
Energy: 1.1976118354433343
Energy: 1.2225920247507065
Energy: 1.317345702907182
Energy: 1.2711325675564484
Energy: 1.3173457029055222
Energy: 1.2711325675592149
Energy: 1.3173457029060753
Energy: 1.2711325675603216
Energy: 1.3173457029044155
Energy: 1.1685472935111354
Energy: 1.2180054395196038
Energy: 1.1685472935094754
Energy: 1.2180054395201574
Energy: 1.1685472935094754
Energy: 1.2180054395207103
Energy: 1.1685472935100287

minimum gb energy = 1.144518166893111 eV
minimum distance =  2.32387542786989 Angstroms
sigma value = 311


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

Energy: 1.1982247224936473
Energy: 1.2274235004668912
Energy: 1.1982247224930087
Energy: 1.2274235004662524
Energy: 1.1982247224942861
Energy: 1.2274235004668912
Energy: 1.1982247224930087
Energy: 1.2096864592204468
Energy: 1.1506790676871188
Energy: 1.2096864592204468
Energy: 1.1510540528373248
Energy: 1.2096864592210856
Energy: 1.1508859171681693
Energy: 1.2096864592217247
Energy: 1.1087675809566446
Energy: 1.1215503132112272
Energy: 1.108767580966228
Energy: 1.1215503132105882
Energy: 1.1087675809521724
Energy: 1.121550313211866
Energy: 1.1087675809521724
Energy: 1.2633446995432904
Energy: 1.2266240980739613
Energy: 1.2633446995445683
Energy: 1.2266240980746004
Energy: 1.2633446995432904
Energy: 1.2266240980746004
Energy: 1.2633446995432904
Energy: 1.2518544433477667
Energy: 1.250196791137123
Energy: 1.2518544433477667
Energy: 1.250196791136484
Energy: 1.2518544433477667
Energy: 1.250196791137123
Energy: 1.2518544433484056
Energy: 1.1086974617771848
Energy: 1.228662469742757
Energy: 1.108697461776546
Energy: 1.228662469742118
Energy: 1.108697461776546
Energy: 1.228662469742757
Energy: 1.108697461776546
Energy: 1.1152721955415492
Energy: 1.2050106553693134
Energy: 1.1152723186972453
Energy: 1.2050106553686744
Energy: 1.1152726072353238
Energy: 1.2050106553693134
Energy: 1.1152722132342192
Energy: 1.2520186309345749
Energy: 1.2140967334468866
Energy: 1.2520186309345749
Energy: 1.2140967334468866
Energy: 1.2520186309345749
Energy: 1.2140967334468866
Energy: 1.252018630935214
Energy: 1.2518839811535456
Energy: 1.2137516964040587
Energy: 1.2518839811529068
Energy: 1.2137516964027808
Energy: 1.2518839811535456
Energy: 1.2137516964040587
Energy: 1.2518839811535456
Energy: 1.1029153270214924
Energy: 1.2050011274298684
Energy: 1.102915327187517
Energy: 1.2050011274305075
Energy: 1.102915328209948
Energy: 1.2050011274305075
Energy: 1.1029153276141228
Energy: 1.1087701586768117
Energy: 1.2288879396342003
Energy: 1.1087701586768117
Energy: 1.2288879396342003
Energy: 1.108770158675534
Energy: 1.2288879396342003
Energy: 1.1087701586742562
Energy: 1.2515118365090563
Energy: 1.2273278775121768
Energy: 1.2515118365077786
Energy: 1.2273278775121768
Energy: 1.2515118365084175
Energy: 1.2273278775115377
Energy: 1.2515118365084175
Energy: 1.2297043555023248
Energy: 1.2250575146843679
Energy: 1.2297043555029636
Energy: 1.2250575146843679
Energy: 1.2297043555036027
Energy: 1.2250575146843679
Energy: 1.2297043555023248
Energy: 1.106305173603977
Energy: 1.1101388606930422
Energy: 1.106305173592477
Energy: 1.1101388606930422
Energy: 1.1063051736078104
Energy: 1.1101388606930422
Energy: 1.1063051735943936
Energy: 1.2098675432297428
Energy: 1.2874460444020668
Energy: 1.2098667344791578
Energy: 1.2874460443171234
Energy: 1.2098666499363115
Energy: 1.287446044325429
Energy: 1.2098646471165537
Energy: 1.1904669330261675
Energy: 1.2174529350995786
Energy: 1.1904669330255286
Energy: 1.2174529351008563
Energy: 1.1904669330261675
Energy: 1.2174529350995786
Energy: 1.1904669330261675
Energy: 1.1613882413090044
Energy: 1.1498865671512364
Energy: 1.1613882413090044
Energy: 1.149886268220442
Energy: 1.1613882413090044
Energy: 1.1498870262150707
Energy: 1.1613882413090044
Energy: 1.1148907464591586
Energy: 1.1196450868044114
Energy: 1.1148907464591586
Energy: 1.1196450868050503
Energy: 1.1148907464591586
Energy: 1.1196450868044114
Energy: 1.1148907464591586
Energy: 1.2817124593986302
Energy: 1.282444273813241
Energy: 1.327386635373008
Energy: 1.2824442738119632
Energy: 1.2904594787986143
Energy: 1.282444273812602
Energy: 1.2904594787979755
Energy: 1.2526735982615618
Energy: 1.2827944394007509
Energy: 1.2526735982622004
Energy: 1.2827944394013897
Energy: 1.2526735982615618
Energy: 1.2827944394013897
Energy: 1.2526735982622004
Energy: 1.1086644699766788
Energy: 1.1202660335496615
Energy: 1.1086644699773174
Energy: 1.1202660335490224
Energy: 1.1086644699760397
Energy: 1.1202660335496615
Energy: 1.1086644699766788
Energy: 1.122312862947352
Energy: 1.2184587789949426
Energy: 1.1223128629467132
Energy: 1.2184587789943038
Energy: 1.122312862947352
Energy: 1.2184587789955816
Energy: 1.1223128629479908
Energy: 1.251770845015362
Energy: 1.2183415197426648
Energy: 1.2517708450147231
Energy: 1.2183415197433036
Energy: 1.2517708450147231
Energy: 1.2183415197433036
Energy: 1.2517708450147231
Energy: 1.233989710925816
Energy: 1.2886115317424731
Energy: 1.233989710925816
Energy: 1.2886115484478513
Energy: 1.233989710925816
Energy: 1.288612222755982
Energy: 1.233989710925816
Energy: 1.1084391387770205
Energy: 1.1099871289462573
Energy: 1.1084391387763814
Energy: 1.1099871289456185
Energy: 1.1084391387770205
Energy: 1.1099871289456185
Energy: 1.1084391387770205
Energy: 1.2073406526109198
Energy: 1.2283849254480983
Energy: 1.2073406526121975
Energy: 1.2283849254480983
Energy: 1.2073406526115589
Energy: 1.2283849254480983
Energy: 1.2073406526115589
Energy: 1.251150146417245
Energy: 1.2256736152227101
Energy: 1.2511501464178838
Energy: 1.2256736152227101
Energy: 1.251150146417245
Energy: 1.2256736152227101
Energy: 1.2511501464178838
Energy: 1.2073600406563616
Energy: 1.2283885047576004
Energy: 1.2073600406557228
Energy: 1.2283885047569616
Energy: 1.2073600406557228
Energy: 1.2283885047576004
Energy: 1.2073600406563616
Energy: 1.108493930341899
Energy: 1.1099875110213626
Energy: 1.108493930341899
Energy: 1.1099875110226405
Energy: 1.1084939303412602
Energy: 1.1099875110220017
Energy: 1.108493930341899
Energy: 1.233985204332941
Energy: 1.2885480931348927
Energy: 1.233985204331663
Energy: 1.2885480887527885
Energy: 1.233985204332941
Energy: 1.2885480888594252
Energy: 1.2339852043310242
Energy: 1.2030373477659462
Energy: 1.2170443168504133
Energy: 1.2030373477665852
Energy: 1.2170443168497742
Energy: 1.2030373477659462
Energy: 1.2170443168497742
Energy: 1.2030373477659462
Energy: 1.1223176658763347
Energy: 1.2185575538605113
Energy: 1.1223176658756957
Energy: 1.2185575538611504
Energy: 1.1223176658756957
Energy: 1.2185575538605113
Energy: 1.1223176658744183
Energy: 1.1086632298255115
Energy: 1.1202651401776755
Energy: 1.1086632298255115
Energy: 1.1202651401789534
Energy: 1.1086632298255115
Energy: 1.1202651401789534
Energy: 1.1086632298261505
Energy: 1.2526656823255027
Energy: 1.2828171006686389
Energy: 1.2526656823255027
Energy: 1.2828171006686389
Energy: 1.2526656823255027
Energy: 1.2828171006686389
Energy: 1.2526656823255027
Energy: 1.2793860731377238
Energy: 1.2824501873822844
Energy: 1.2793860731377238
Energy: 1.2824501873842011
Energy: 1.2793860731377238
Energy: 1.2824501873822844
Energy: 1.2793860731377238
Energy: 1.114892765403135
Energy: 1.119650472924883
Energy: 1.114892765404413
Energy: 1.1196504729242442
Energy: 1.114892765403135
Energy: 1.119650472924883
Energy: 1.1148927654050518

minimum gb energy = 1.1029153270214924 eV
minimum distance =  2.33056435324791 Angstroms
sigma value = 39


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

Energy: 1.1881364357611326
Energy: 1.1804496021086204
Energy: 1.1881364357611326
Energy: 1.1804496021078663
Energy: 1.1881364357611326
Energy: 1.1804496021086204
Energy: 1.1881364357611326
Energy: 1.2348591379982568
Energy: 1.097837598552769
Energy: 1.234859137997503
Energy: 1.097837598552769
Energy: 1.2348591379982568
Energy: 1.0978375985520152
Energy: 1.234859137997503
Energy: 1.1546718396788422
Energy: 1.130728816980006
Energy: 1.1546718396780882
Energy: 1.130728816978498
Energy: 1.1546718396788422
Energy: 1.130728816980006
Energy: 1.1546718396780882
Energy: 1.23048505676584
Energy: 1.0965245392706782
Energy: 1.2304854000378185
Energy: 1.0965245392706782
Energy: 1.2304850123430857
Energy: 1.096524539269924
Energy: 1.2304859962612387
Energy: 1.2276650892569307
Energy: 1.0971183000339166
Energy: 1.227665089333052
Energy: 1.0971183000339166
Energy: 1.2276650892524066
Energy: 1.0971183000339166
Energy: 1.2276650892878453
Energy: 1.2305358297697815
Energy: 1.0954499685817842
Energy: 1.2305358297690274
Energy: 1.0954499685832926
Energy: 1.2305358297697815
Energy: 1.0954499685825383
Energy: 1.2305358297690274
Energy: 1.2829758687774666
Energy: 1.1315675197527566
Energy: 1.2491401432505504
Energy: 1.1315675197527566
Energy: 1.2240150712675404
Energy: 1.1315675197527566
Energy: 1.1750245857212924
Energy: 1.1560550608265237
Energy: 1.0958685283775498
Energy: 1.1560550608257696
Energy: 1.0958685283775498
Energy: 1.1560550608250157
Energy: 1.0958685283775498
Energy: 1.1560550608265237
Energy: 1.234091952392031
Energy: 1.0964077049099898
Energy: 1.234091952325712
Energy: 1.0964077049099898
Energy: 1.234091952338496
Energy: 1.0964077049099898
Energy: 1.2340919523656404
Energy: 1.1546293854817455
Energy: 1.1542627136303956
Energy: 1.1546293854809917
Energy: 1.1542627136311496
Energy: 1.1546293854817455
Energy: 1.1542627136303956
Energy: 1.1546293854817455
Energy: 1.2468625663391784
Energy: 1.1307911607571197
Energy: 1.2239010744943113
Energy: 1.1307911607563654
Energy: 1.1738544338853345
Energy: 1.1307911607571197
Energy: 1.1738544338838264
Energy: 1.155895055343155
Energy: 1.0957975685866843
Energy: 1.1558950553424008
Energy: 1.0957975685851762
Energy: 1.155895055341647
Energy: 1.0957975685866843
Energy: 1.1558950553408927
Energy: 1.1966915877894724
Energy: 1.1122001605813672
Energy: 1.1966897523645244
Energy: 1.1122001605813672
Energy: 1.1966918599191223
Energy: 1.1122001605813672
Energy: 1.1966939263490692
Energy: 1.154571418925559
Energy: 1.0960770362489503
Energy: 1.154571418925559
Energy: 1.0960770362489503
Energy: 1.1545714189263128
Energy: 1.0960770362489503
Energy: 1.154571418925559
Energy: 1.1936933300071775
Energy: 1.1589394683520624
Energy: 1.1936933299905892
Energy: 1.1589394683520624
Energy: 1.1936933300124557
Energy: 1.1589394683513086
Energy: 1.1493413320962071
Energy: 1.1545950480173262
Energy: 1.0958935505342504
Energy: 1.1545950480173262
Energy: 1.0958935505334966
Energy: 1.1545950480173262
Energy: 1.0958935505334966
Energy: 1.15459504801808
Energy: 1.1967271956804497
Energy: 1.11198726964356
Energy: 1.1967298562739803
Energy: 1.1119872696428061
Energy: 1.1967274098308454
Energy: 1.1119872696428061
Energy: 1.196727171465376
Energy: 1.1558146443474282
Energy: 1.0957986921696286
Energy: 1.1558146443466744
Energy: 1.0957986921711367
Energy: 1.1558146443474282
Energy: 1.0957986921696286
Energy: 1.1558146443474282
Energy: 1.22565856216264
Energy: 1.1308110388622712
Energy: 1.2256585621596239
Energy: 1.1308110388615171
Energy: 1.2256585621581157
Energy: 1.1308110388622712
Energy: 1.22565856215887
Energy: 1.1546274572032105
Energy: 1.1543380586756185
Energy: 1.1546274572032105
Energy: 1.1543380586763725
Energy: 1.1546274572032105
Energy: 1.1543380586763725
Energy: 1.1546274572032105
Energy: 1.2340490566933333
Energy: 1.0964111885821743
Energy: 1.234049056782273
Energy: 1.0964111885814205
Energy: 1.2340490567898132
Energy: 1.0964111885821743
Energy: 1.2340490568501004
Energy: 1.1561525786247586
Energy: 1.095708454079262
Energy: 1.1561525786240046
Energy: 1.095708454080016
Energy: 1.1561525786247586
Energy: 1.095708454079262
Energy: 1.1561525786255127
Energy: 1.297191926193537
Energy: 1.1315625669163705
Energy: 1.297191926193537
Energy: 1.1315625669156164
Energy: 1.297191926193537
Energy: 1.1315625669163705
Energy: 1.297191926192783
Energy: 1.2305204796196214
Energy: 1.0954532138417847
Energy: 1.2305204796181135
Energy: 1.0954532138425388
Energy: 1.2305204796196214
Energy: 1.0954532138432926
Energy: 1.2305204796181135
Energy: 1.2278746380451735
Energy: 1.0971255069632744
Energy: 1.2278746380248151
Energy: 1.0971255069640284
Energy: 1.2278746380278311
Energy: 1.0971255069632744
Energy: 1.227874638020291
Energy: 1.230208669314058
Energy: 1.0965214217333537
Energy: 1.230208669299012
Energy: 1.0965214217333537
Energy: 1.2302086694753491
Energy: 1.0965214217333537
Energy: 1.2302086692484928
Energy: 1.1546642610290745
Energy: 1.1307168048598062
Energy: 1.1546642610283204
Energy: 1.1307168048582978
Energy: 1.1546642610283204
Energy: 1.1307168048598062
Energy: 1.1546642610290745
Energy: 1.2348744551884292
Energy: 1.0980100116682356
Energy: 1.2348744551861672
Energy: 1.0980100116667275
Energy: 1.2348744551884292
Energy: 1.0980100116682356
Energy: 1.2348744551861672
Energy: 1.1881364357596247
Energy: 1.1804496021086204
Energy: 1.1881364357611326
Energy: 1.1804496021071123
Energy: 1.1881364357596247
Energy: 1.1804496021093744
Energy: 1.1881364357603785
Energy: 1.2348591379982568
Energy: 1.0978375985520152
Energy: 1.234859137997503
Energy: 1.0978375985535231
Energy: 1.2348591379982568
Energy: 1.097837598552769
Energy: 1.234859137997503

minimum gb energy = 1.0954499685817842 eV
minimum distance =  2.28405711040719 Angstroms
sigma value = 21


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

Energy: 1.1387738415457103
Energy: 1.1242086235179116
Energy: 1.1387738415447948
Energy: 1.1242086235179116
Energy: 1.1387738415466258
Energy: 1.1242086235179116
Energy: 1.1387738415447948
Energy: 1.0895801722543224
Energy: 1.0659104830736927
Energy: 1.0895801722534069
Energy: 1.0659104830746082
Energy: 1.0895801722534069
Energy: 1.0659104830736927
Energy: 1.0895801722543224
Energy: 1.1121153325344866
Energy: 1.096023117137185
Energy: 1.1121153325335713
Energy: 1.096023117137185
Energy: 1.1121153325335713
Energy: 1.096023117137185
Energy: 1.1121153325335713
Energy: 1.0416330660995796
Energy: 1.0523587184929262
Energy: 1.0416330661004949
Energy: 1.0523587138514583
Energy: 1.0416330660995796
Energy: 1.0523587175359157
Energy: 1.0416330660995796
Energy: 1.0117760819465653
Energy: 1.0536595364125771
Energy: 1.0117760819465653
Energy: 1.0536595364125771
Energy: 1.0117760819465653
Energy: 1.0536595364125771
Energy: 1.0117760819465653
Energy: 1.0247059667924896
Energy: 1.0935613464834772
Energy: 1.0247059667924896
Energy: 1.0935613464843927
Energy: 1.0247059667924896
Energy: 1.0935613464843927
Energy: 1.0247059667924896
Energy: 0.9703367662253322
Energy: 1.0053147615769331
Energy: 0.9703367662262473
Energy: 1.0053147410961045
Energy: 0.9703367662262473
Energy: 1.0053148432330719
Energy: 0.9703367662271627
Energy: 0.9864137996397822
Energy: 1.071579311094168
Energy: 0.986413799638867
Energy: 1.0715793110950833
Energy: 0.9864137996397822
Energy: 1.0715793110950833
Energy: 0.986413799638867
Energy: 1.042264847439405
Energy: 1.024810701578215
Energy: 1.042264847439405
Energy: 1.024810701578215
Energy: 1.042264847439405
Energy: 1.024810701578215
Energy: 1.0422648474403204
Energy: 1.041953757704409
Energy: 1.2438584646657778
Energy: 1.0419537577035147
Energy: 1.2438584646657778
Energy: 1.041953757704409
Energy: 1.2438584646657778
Energy: 1.0419537577035147
Energy: 0.9705194963980004
Energy: 1.071488421299701
Energy: 0.970519496397085
Energy: 1.0714884213006164
Energy: 0.9705194963980004
Energy: 1.0714884212987856
Energy: 0.9705194963980004
Energy: 0.9861728527028372
Energy: 1.0771309174381516
Energy: 0.9861728527028372
Energy: 1.0771309174381516
Energy: 0.9861728527019219
Energy: 1.0771309174381516
Energy: 0.9861728527019219
Energy: 1.0423751259432543
Energy: 1.0248338499252223
Energy: 1.0423751259423388
Energy: 1.0248338499252223
Energy: 1.0423751259432543
Energy: 1.0248338499252223
Energy: 1.0423751259423388
Energy: 1.0631428698119954
Energy: 1.0537584875539623
Energy: 1.0631428698119954
Energy: 1.053758487555793
Energy: 1.0631428698119954
Energy: 1.0537584875521318
Energy: 1.0631428698119954
Energy: 1.0888507762843793
Energy: 1.0714843067596262
Energy: 1.0888507799276672
Energy: 1.0714843067596262
Energy: 1.0888507760218011
Energy: 1.0714843067587108
Energy: 1.088850775557931
Energy: 1.090658443330299
Energy: 1.0329401644586715
Energy: 1.0906584433321298
Energy: 1.032940164459587
Energy: 1.0906584433312143
Energy: 1.032940164459587
Energy: 1.0906584433312143
Energy: 1.1054143120057323
Energy: 1.0567712457378327
Energy: 1.1054143120066475
Energy: 1.0567712457369176
Energy: 1.1054143120057323
Energy: 1.0567712457378327
Energy: 1.1054143120057323
Energy: 1.0961698904128365
Energy: 1.0536387803592102
Energy: 1.0961698904137518
Energy: 1.0536387803473108
Energy: 1.0961698904137518
Energy: 1.053638780366533
Energy: 1.0961698904137518
Energy: 1.0036138708901667
Energy: 1.0717060875003432
Energy: 1.0036138310072398
Energy: 1.0717060874994278
Energy: 1.0036139170266865
Energy: 1.0717060874994278
Energy: 1.0036138556409517
Energy: 0.9859626544789202
Energy: 1.0244188133140555
Energy: 0.9859626544789202
Energy: 1.0244188133140555
Energy: 0.9859626544789202
Energy: 1.0244188133140555
Energy: 0.9859626544789202
Energy: 1.0420294732331858
Energy: 1.0251994036387835
Energy: 1.0420294732331858
Energy: 1.025199402991013
Energy: 1.0420294732331858
Energy: 1.0251994030294365
Energy: 1.0420294732331858
Energy: 0.9705566409283817
Energy: 1.0319902290420024
Energy: 0.9705566409283817
Energy: 1.0319901945974312
Energy: 0.9705566409283817
Energy: 1.0319901944235996
Energy: 0.9705566409283817
Energy: 0.9668281656041325
Energy: 1.0716396500715042
Energy: 1.0325329560243637
Energy: 1.0716396500715042
Energy: 0.9711071131243972
Energy: 1.0716396500715042
Energy: 0.9711071131234819
Energy: 1.0413980335255633
Energy: 1.0242167872457613
Energy: 1.0413980335255633
Energy: 1.0242167872457613
Energy: 1.0413980335255633
Energy: 1.0242167872457613
Energy: 1.0413980335255633
Energy: 1.0422010619005915
Energy: 1.0099591133929913
Energy: 1.042201061899676
Energy: 1.0099591133929913
Energy: 1.042201061899676
Energy: 1.0099591133929913
Energy: 1.0422010619005915

minimum gb energy = 0.9668281656041325 eV
minimum distance =  2.32852556328027 Angstroms
sigma value = 113


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

Energy: 0.9925415354549282
Energy: 1.207127443594316
Energy: 0.9925415354544174
Energy: 1.2071274435948272
Energy: 0.9925415354549282
Energy: 1.207127443594316
Energy: 0.9925415354528849
Energy: 1.0057175201385689
Energy: 0.958284361273958
Energy: 1.0057175201365254
Energy: 0.9582843612754904
Energy: 1.0057175201385689
Energy: 0.958284361273958
Energy: 1.0057175201360145
Energy: 0.9994132670295655
Energy: 0.9761851923897318
Energy: 0.9994132670280328
Energy: 0.9761851923876883
Energy: 0.9994132670295655
Energy: 0.9761851923887102
Energy: 0.9994132670280328
Energy: 0.9544323343149628
Energy: 0.9454768531355231
Energy: 0.954432334317517
Energy: 0.9454768531370557
Energy: 0.9544323343159845
Energy: 0.9454768531365447
Energy: 0.9544323343164954
Energy: 0.925417349985884
Energy: 1.0686764847279069
Energy: 0.9254173499838405
Energy: 1.0686764847279069
Energy: 0.925417349985884
Energy: 1.0686764847273962
Energy: 0.925417349982308
Energy: 0.942195726666711
Energy: 0.9579852668864812
Energy: 0.9421957266682436
Energy: 0.957985266883416
Energy: 0.942195726667222
Energy: 0.9579852668875029
Energy: 0.9421957266677328
Energy: 0.9312967915992835
Energy: 0.9328800544949358
Energy: 0.9312967915962186
Energy: 0.9328800544734799
Energy: 0.9312967915997944
Energy: 0.932880054476545
Energy: 0.9312967915957077
Energy: 0.9456748921797561
Energy: 0.9144414537566197
Energy: 0.9456748921802671
Energy: 0.9144414537576413
Energy: 0.9456748921792453
Energy: 0.9144414537576413
Energy: 0.9456748921797561
Energy: 0.936261925197841
Energy: 1.017861906308127
Energy: 0.9362619251942649
Energy: 1.0178619063096594
Energy: 0.9362619251963084
Energy: 1.0178619063086378
Energy: 0.9362619251947758
Energy: 0.9558321184887532
Energy: 0.9192402231593283
Energy: 0.9558321184882423
Energy: 0.9192402231577956
Energy: 0.9558321184887532
Energy: 0.9192402231598391
Energy: 0.9558321184882423
Energy: 0.8918871968979398
Energy: 0.9040805885315185
Energy: 0.8918871968984506
Energy: 0.9040805885310076
Energy: 0.8918871968969182
Energy: 0.9040805885304968
Energy: 0.8918871968958965
Energy: 0.930640019192346
Energy: 0.9238183759741329
Energy: 0.9306400191938786
Energy: 0.9238183759741329
Energy: 0.9306400191928569
Energy: 0.9238183759731112
Energy: 0.9306400191928569
Energy: 0.8615665349503121
Energy: 1.090643123151199
Energy: 0.8615665349538882
Energy: 1.0906431231527318
Energy: 0.861566534974833
Energy: 1.09064312315171
Energy: 0.8615665349518448
Energy: 0.9177263562652137
Energy: 0.9212140042040349
Energy: 0.9177263562647029
Energy: 0.9212140042040349
Energy: 0.9177263562647029
Energy: 0.9212140042019914
Energy: 0.9177263562652137
Energy: 0.9221907234294725
Energy: 0.8880827774480676
Energy: 0.9221907234320268
Energy: 0.8880827779316122
Energy: 0.9221907234299834
Energy: 0.888082783289102
Energy: 0.922190723431516
Energy: 0.9168950700575194
Energy: 1.0895355313627002
Energy: 0.9168950700570084
Energy: 1.0895355313621893
Energy: 0.9168950700570084
Energy: 1.0895355313632111
Energy: 0.9168950700570084
Energy: 0.8611179032713812
Energy: 0.911837264059583
Energy: 0.8611179032698486
Energy: 0.911837264059583
Energy: 0.8611179032739353
Energy: 0.9118372640590722
Energy: 0.8611179032708703
Energy: 0.9202835850207676
Energy: 0.92382548455569
Energy: 0.9202835850212784
Energy: 0.9238254845526248
Energy: 0.9202835850207676
Energy: 0.9238254845546683
Energy: 0.9202835850212784
Energy: 0.9242201565182747
Energy: 0.8879064449419922
Energy: 0.9242201565192966
Energy: 0.8879064449389273
Energy: 0.9242201565203182
Energy: 0.8879064449496552
Energy: 0.9242201565187856
Energy: 0.9224560673050511
Energy: 1.0011157652797373
Energy: 0.9224560673035185
Energy: 1.001115765277694
Energy: 0.9224560673050511
Energy: 1.0011157652802483
Energy: 0.9224560673035185
Energy: 0.9249519138376426
Energy: 0.9011697245858733
Energy: 0.9249519138366209
Energy: 0.9011697245848516
Energy: 0.9249519138376426
Energy: 0.9011697245843407
Energy: 0.9249519138355992
Energy: 0.9359166417538405
Energy: 0.884360255070637
Energy: 0.9359166417523078
Energy: 0.8843602550798323
Energy: 0.9359166417538405
Energy: 0.8843602626549306
Energy: 0.9359166417512862
Energy: 0.9253084127807553
Energy: 0.9007514874413154
Energy: 0.9253084127797335
Energy: 0.9007514874428478
Energy: 0.9253084127802443
Energy: 0.9007514874454021
Energy: 0.9253084127802443
Energy: 0.9140412635854671
Energy: 0.9531445609872962
Energy: 0.9140412634369023
Energy: 0.9531445609806553
Energy: 0.9140412634052293
Energy: 0.9531445609826986
Energy: 0.9140412634930495
Energy: 1.0194186065654591
Energy: 0.938917464025598
Energy: 1.01941860656597
Energy: 0.9389174640250872
Energy: 1.0194186065654591
Energy: 0.9389174640271305
Energy: 1.0194186065654591
Energy: 0.9897209098832624
Energy: 0.942288327708946
Energy: 0.9897209098786647
Energy: 0.9422883277069025
Energy: 0.9897209098832624
Energy: 0.9422883277079241
Energy: 0.9897209098827515
Energy: 0.9930506434432177
Energy: 0.937575196637247
Energy: 0.993050643445261
Energy: 0.9375751966045526
Energy: 0.9930506434432177
Energy: 0.937575196661257
Energy: 0.993050643445261
Energy: 0.9763503234308653
Energy: 1.1567620830370158
Energy: 0.9763503234993194
Energy: 1.1567620830380376
Energy: 0.976350323442615
Energy: 1.1567620830375265
Energy: 0.9763503234293327
Energy: 1.078804636979628
Energy: 0.9536285709772886
Energy: 1.078804636979117
Energy: 0.9536285709823971
Energy: 1.0788046369806497
Energy: 0.9536285709777994
Energy: 1.0788046369786064
Energy: 0.9863484807290527
Energy: 0.9423258097627297
Energy: 0.9863484807295636
Energy: 0.9423258097611971
Energy: 0.986348480731096
Energy: 0.9423258097627297
Energy: 0.9863484807275201
Energy: 0.9283698880108926
Energy: 0.9487776726736222
Energy: 0.928369888012425
Energy: 0.9487776726736222
Energy: 0.928369888012425
Energy: 0.9487776726715788
Energy: 0.928369888012425
Energy: 0.9141226526336841
Energy: 1.127317236101181
Energy: 0.9141226526076305
Energy: 1.1273172361006703
Energy: 0.9141226526137608
Energy: 1.1273172361016919
Energy: 0.9141226526117175
Energy: 0.9122983397606329
Energy: 0.9579256550373219
Energy: 0.9122983397504159
Energy: 0.9579256550373219
Energy: 0.912298339757568
Energy: 0.9579256550383435
Energy: 0.912298339747351
Energy: 0.916311675302837
Energy: 0.8835932736487582
Energy: 0.9163116753002829
Energy: 0.8835932736477364
Energy: 0.9163116753002829
Energy: 0.8835932736472255
Energy: 0.9163116753018153
Energy: 0.9437777080251867
Energy: 0.9146271940924694
Energy: 0.9437777080216108
Energy: 0.9146271940945129
Energy: 0.9437777080231432
Energy: 0.9146271940924694
Energy: 0.9437777080216108
Energy: 0.9007853791657371
Energy: 1.0822189799030226
Energy: 0.9007853791677805
Energy: 1.0822189799060877
Energy: 0.9007853791672696
Energy: 1.0822189799040443
Energy: 0.9007853791636936
Energy: 0.9254838126424348
Energy: 0.9198620342029828
Energy: 0.9254838126424348
Energy: 0.9198620342045154
Energy: 0.925483812641413
Energy: 0.919862034202472
Energy: 0.9254838126424348
Energy: 0.9076913160352309
Energy: 0.8935558987689086
Energy: 0.9076913160362526
Energy: 0.8935558987683978
Energy: 0.9076913160362526
Energy: 0.8935558987694193
Energy: 0.9076913160362526
Energy: 0.9280301190902669
Energy: 0.9000263217910132
Energy: 0.9280301190902669
Energy: 0.9000263217889697
Energy: 0.9280301190902669
Energy: 0.9000263217894807
Energy: 0.9280301190902669
Energy: 0.8755883151781629
Energy: 1.06574149878989
Energy: 0.8755883151807172
Energy: 1.0657414987934661
Energy: 0.8755883151781629
Energy: 1.0657414987919336
Energy: 0.8755883151786737
Energy: 0.9175498064608395
Energy: 0.9198747640082104
Energy: 0.9175498064644156
Energy: 0.9198747640087213
Energy: 0.9175498064603286
Energy: 0.9198747640082104
Energy: 0.9175498064649265
Energy: 0.9211595297524017
Energy: 0.8910852613746777
Energy: 0.9211595297503582
Energy: 0.8910852613731453
Energy: 0.9211595297524017
Energy: 0.8910852613726344
Energy: 0.9211595297513798
Energy: 0.9184691047369385
Energy: 1.0863857072957512
Energy: 0.9184691047364276
Energy: 1.0863857072977947
Energy: 0.9184691047369385
Energy: 1.0863857072962622
Energy: 0.9184691047364276
Energy: 0.8754104772997511
Energy: 0.9004000364244714
Energy: 0.8754104772966859
Energy: 0.9004000364275366
Energy: 0.8754104772982185
Energy: 0.9004000364239606
Energy: 0.8754104772971968
Energy: 0.9175885305024791
Energy: 0.928880931385914
Energy: 0.9175885305019685
Energy: 0.9288809313843817
Energy: 0.9175885305019685
Energy: 0.9288809313864249
Energy: 0.9175885305019685

minimum gb energy = 0.8611179032698486 eV
minimum distance =  2.30831906144932 Angstroms
sigma value = 365


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

Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.325073895733142
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.325073895733142
Energy: 1.7658423112742208
Energy: 1.0754552881842059
Energy: 1.765853371595563
Energy: 1.0754552881842059
Energy: 1.934744745900608
Energy: 1.0754552881842059
Energy: 1.9347447458165543
Energy: 0.3250738957342938
Energy: 0.3380419739084277
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.3380419739084277
Energy: 0.3250738957342938
Energy: 2.0044163705189812
Energy: 1.0754552881842059
Energy: 1.7594296135705607
Energy: 1.0754552881842059
Energy: 1.7657945822151042
Energy: 1.0754552881842059
Energy: 1.934744745739411
Energy: 0.325073895733142
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.3380419739084277
Energy: 0.325073895733142
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 1.9347447456795448
Energy: 1.0754552881842059
Energy: 1.9347447457474736
Energy: 1.0754552881842059
Energy: 1.9347447458177058
Energy: 1.0754552881842059
Energy: 1.9347447457325264
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 1.93474474582692
Energy: 1.0754552881842059
Energy: 1.9347447457451699
Energy: 1.0754552881842059
Energy: 1.9347447457797233
Energy: 1.0754552881842059
Energy: 1.9347447458764204
Energy: 0.325073895733142
Energy: 0.3380419739084277
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.325073895733142
Energy: 0.3380419739084277
Energy: 0.3250738957342938
Energy: 1.7594296135682572
Energy: 1.0754552881842059
Energy: 1.7594296135705607
Energy: 1.0754552881842059
Energy: 1.7658628009476505
Energy: 1.0754552881842059
Energy: 1.9347447457474736
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.3380419739084277
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 1.934744745714098
Energy: 1.0754552881842059
Energy: 1.9347447457797233
Energy: 1.0754552881842059
Energy: 1.9347447458084917
Energy: 1.0754552881842059
Energy: 1.9347447458326792
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.325073895733142
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.325073895733142
Energy: 1.9347447457117946
Energy: 1.0754552881842059
Energy: 1.9347447456899105
Energy: 1.0754552881842059
Energy: 1.9347447461550202
Energy: 1.0754552881842059
Energy: 1.9347447463495924
Energy: 0.3250738957342938
Energy: 0.3380419739084277
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.3380419739084277
Energy: 0.3250738957342938
Energy: 1.9347447459926976
Energy: 1.0754552881842059
Energy: 1.9347447456922144
Energy: 1.0754552881842059
Energy: 1.9347447462171898
Energy: 1.0754552881842059
Energy: 1.934744745699125
Energy: 0.325073895733142
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.3380419739084277
Energy: 0.325073895733142
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 1.9347447458522595
Energy: 1.0754552881842059
Energy: 1.9347447459903941
Energy: 1.0754552881842059
Energy: 1.9347447457762679
Energy: 1.0754552881853576
Energy: 1.9347447458130989
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 0.33804197390957946
Energy: 0.3250738957342938
Energy: 1.934744745739411
Energy: 1.0754552881842059
Energy: 1.9347447460318319
Energy: 1.0754552881842059
Energy: 1.9347447457866342
Energy: 1.0754552881842059
Energy: 1.9347447458729652

minimum gb energy = 0.325073895733142 eV
minimum distance =  2.31478197518409 Angstroms
sigma value = 23