Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_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=2.863645762205124
cohesive_energy=4.2905471300555265
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: 0.01618308585813739
Energy: 0.16763118239380717
Energy: 0.016183085857729332
Energy: 0.16763118239380717
Energy: 0.016183085857729332
Energy: 0.16763118239380717
Energy: 0.016183085857729332
Energy: 0.01673699737617757
Energy: 0.6340349738139283
Energy: 0.01673699737617757
Energy: 0.6340349738143363
Energy: 0.016736997376585627
Energy: 0.6340349738143363
Energy: 0.01673699737617757
Energy: 0.48507761152196294
Energy: 0.5594718398304681
Energy: 0.48507761152196294
Energy: 0.5594718398308534
Energy: 0.48507761152155493
Energy: 0.5594718398308534
Energy: 0.48507761152196294
Energy: 0.01673699737581486
Energy: 0.6340349738135655
Energy: 0.016736997376585627
Energy: 0.6340349738143363
Energy: 0.0167369973754068
Energy: 0.6340349738139283
Energy: 0.01673699737617757
Energy: 0.01618308585813739
Energy: 0.16763118239339914
Energy: 0.01618308585813739
Energy: 0.16763118239380717
Energy: 0.01618308585813739
Energy: 0.16763118239380717
Energy: 0.01618308585813739
Energy: 0.016736997376585627
Energy: 0.6340349738139283
Energy: 0.01673699737617757
Energy: 0.6340349738143363
Energy: 0.016736997376585627
Energy: 0.6340349738139283
Energy: 0.01673699737617757

minimum gb energy = 0.016183085857729332 eV
minimum distance =  2.47653260902321 Angstroms
sigma value = 5


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

Energy: 1.2893956470358423
Energy: 1.2635614373019972
Energy: 1.289395647038767
Energy: 1.26356143718993
Energy: 1.2893956470358423
Energy: 1.2635614386915603
Energy: 1.289395647037792
Energy: 1.19470796387418
Energy: 1.17453992362047
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Energy: 1.1745515824446595
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Energy: 1.210373905144725
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Energy: 1.1361043550783774
Energy: 1.2096523174507054
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Energy: 1.2272086867514582
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Energy: 1.1357132617339964
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Energy: 1.122143717983989
Energy: 1.1371834211204643
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Energy: 1.137183421121439
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Energy: 1.160449002858528
Energy: 1.2378294963716732
Energy: 1.1604490028322503
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Energy: 1.2378294963741105
Energy: 1.1885866065992243
Energy: 1.1479543036872655
Energy: 1.1885866065992243
Energy: 1.1479543036862905
Energy: 1.1885866066016615
Energy: 1.1479543036867779
Energy: 1.1885866065997117
Energy: 1.1735508431960369
Energy: 1.2069279141822946
Energy: 1.1735508432004238
Energy: 1.2069279141818072
Energy: 1.1735508431979866
Energy: 1.2069279141818072
Energy: 1.1735508431999364
Energy: 1.158533831533911
Energy: 1.203882650176746
Energy: 1.158533831531474
Energy: 1.203882650175771
Energy: 1.158533831533911
Energy: 1.2038826501777207
Energy: 1.1585338315319613
Energy: 1.1357018317322014
Energy: 1.1836685393252864
Energy: 1.135701831730739
Energy: 1.1836685393223618
Energy: 1.1357018317322014
Energy: 1.183668539324799
Energy: 1.1357018317312264
Energy: 1.1318250616304486
Energy: 1.178444534941005
Energy: 1.131825061631911
Energy: 1.17844453494198
Energy: 1.131825061630936
Energy: 1.178444534941005
Energy: 1.131825061630936
Energy: 1.1568583904919687
Energy: 1.1955561084665698
Energy: 1.156858390491481
Energy: 1.1955561084646198
Energy: 1.156858390491481
Energy: 1.1955561084651072
Energy: 1.156858390491481

minimum gb energy = 1.1211619371216495 eV
minimum distance =  2.31297763537148 Angstroms
sigma value = 401


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

Energy: 1.2814721463687364
Energy: 1.2856570980067503
Energy: 1.281472146372056
Energy: 1.285657098006197
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Energy: 1.251028126092909
Energy: 1.2513351344171788
Energy: 1.2510281260901426
Energy: 1.2513351344166257
Energy: 1.2510281260906957
Energy: 1.250832618084548
Energy: 1.250897117197742
Energy: 1.2508326180839946
Energy: 1.2508971171982954
Energy: 1.2508326180851013
Energy: 1.250897117197742
Energy: 1.2508326180856548
Energy: 1.177749368165587
Energy: 1.2285100350510871
Energy: 1.177749368165034
Energy: 1.228510035052747
Energy: 1.177749368165034
Energy: 1.2285100350505338
Energy: 1.177749368163374
Energy: 1.1771347545102309
Energy: 1.2599340674579391
Energy: 1.1771347545096777
Energy: 1.2599340674579391
Energy: 1.1771347545074644
Energy: 1.2599340674579391
Energy: 1.1771347545096777
Energy: 1.1742804392468587
Energy: 1.177647597323813
Energy: 1.1742804392463053
Energy: 1.177647597324366
Energy: 1.1742804392468587
Energy: 1.1776475973215996
Energy: 1.1742804392451989
Energy: 1.2225944626068896
Energy: 1.1976142557047247
Energy: 1.2225944626052299
Energy: 1.1976142557047247
Energy: 1.2225944626052299
Energy: 1.1976142557041711
Energy: 1.2225944626068896
Energy: 1.3173481251230184
Energy: 1.271134974132994
Energy: 1.3173481251230184
Energy: 1.2711349741352074
Energy: 1.3173481251219117
Energy: 1.2711349741368672
Energy: 1.3173481251196986
Energy: 1.1685497313673185
Energy: 1.2180078578265983
Energy: 1.1685497313656588
Energy: 1.2180078578271516
Energy: 1.1685497313662119
Energy: 1.2180078578265983
Energy: 1.1685497313662119

minimum gb energy = 1.1445206027937918 eV
minimum distance =  2.32387542786987 Angstroms
sigma value = 311


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

Energy: 1.1982261040303153
Energy: 1.2274248910338659
Energy: 1.1982261040296762
Energy: 1.227424891032588
Energy: 1.198226104030954
Energy: 1.2274248910338659
Energy: 1.198226104030954
Energy: 1.2096878633318802
Energy: 1.1504582841109863
Energy: 1.2096878633312413
Energy: 1.1510094744709547
Energy: 1.2096878633318802
Energy: 1.1503751859081475
Energy: 1.2096878633306023
Energy: 1.1087689895765378
Energy: 1.1215517218375093
Energy: 1.1087689895771766
Energy: 1.1215517218362314
Energy: 1.1087689895746211
Energy: 1.1215517218362314
Energy: 1.1087689895803712
Energy: 1.2633461171985727
Energy: 1.2266254976699364
Energy: 1.2633461171985727
Energy: 1.2266254976705753
Energy: 1.2633461171979337
Energy: 1.2266254976705753
Energy: 1.263346117201128
Energy: 1.2518558429437419
Energy: 1.250198190733098
Energy: 1.2518558429443807
Energy: 1.2501981907324589
Energy: 1.2518558429437419
Energy: 1.250198190733098
Energy: 1.2518558429443807
Energy: 1.108698870402189
Energy: 1.228663887398039
Energy: 1.108698870402189
Energy: 1.228663887398039
Energy: 1.1086988704034666
Energy: 1.228663887398039
Energy: 1.1086988704028278
Energy: 1.115273655280812
Energy: 1.2050120730245952
Energy: 1.1152737830734143
Energy: 1.2050120730239564
Energy: 1.115273773793155
Energy: 1.2050120730239564
Energy: 1.1152737147352578
Energy: 1.25202003053055
Energy: 1.2140981240132223
Energy: 1.25202003053055
Energy: 1.2140981240132223
Energy: 1.25202003053055
Energy: 1.2140981240132223
Energy: 1.2520200305311888
Energy: 1.2518853807495203
Energy: 1.2137530869703945
Energy: 1.2518853807482426
Energy: 1.2137530869691167
Energy: 1.2518853807501593
Energy: 1.2137530869703945
Energy: 1.2518853807482426
Energy: 1.1029167356790799
Energy: 1.2050025450857897
Energy: 1.1029167355366651
Energy: 1.2050025450864286
Energy: 1.1029167356024419
Energy: 1.2050025450857897
Energy: 1.1029167356503295
Energy: 1.108771567301816
Energy: 1.2288893572894826
Energy: 1.1087715673030938
Energy: 1.2288893572888437
Energy: 1.108771567301816
Energy: 1.2288893572894826
Energy: 1.1087715672998995
Energy: 1.2515132361043926
Energy: 1.2273292771075128
Energy: 1.2515132361043926
Energy: 1.2273292771081519
Energy: 1.2515132361050314
Energy: 1.2273292771075128
Energy: 1.2515132361043926
Energy: 1.2297057550995774
Energy: 1.2250589142803427
Energy: 1.2297057550989385
Energy: 1.2250589142803427
Energy: 1.2297057550995774
Energy: 1.225058914279704
Energy: 1.2297057550989385
Energy: 1.1063065822187588
Energy: 1.1101402693167688
Energy: 1.1063065822245088
Energy: 1.1101402693199633
Energy: 1.1063065822225924
Energy: 1.1101402693193243
Energy: 1.1063065822398421
Energy: 1.2098659795358786
Energy: 1.287447461926434
Energy: 1.209870950284211
Energy: 1.287447461967933
Energy: 1.2098659676564605
Energy: 1.2874474620439322
Energy: 1.2098680644212938
Energy: 1.1904683145621964
Energy: 1.2174543256659143
Energy: 1.1904683145628354
Energy: 1.2174543256671921
Energy: 1.1904683145628354
Energy: 1.2174543256659143
Energy: 1.1904683145628354
Energy: 1.1613896454191601
Energy: 1.1498878614302883
Energy: 1.1613896454197992
Energy: 1.1498878649324344
Energy: 1.1613896454185213
Energy: 1.1498886997708218
Energy: 1.1613896454191601
Energy: 1.1148921550848019
Energy: 1.1196464954300545
Energy: 1.1148921550848019
Energy: 1.1196464954313323
Energy: 1.1148921550848019
Energy: 1.1196464954300545
Energy: 1.1148921550848019
Energy: 1.281713877053912
Energy: 1.2824456914678843
Energy: 1.3273880507708802
Energy: 1.2824456914672455
Energy: 1.290460891939077
Energy: 1.2824456914678843
Energy: 1.290460891939077
Energy: 1.2526749978581753
Energy: 1.282795857056033
Energy: 1.2526749978581753
Energy: 1.2827958570573108
Energy: 1.2526749978581753
Energy: 1.282795857056672
Energy: 1.252674997858814
Energy: 1.1086658786023214
Energy: 1.1202674421753045
Energy: 1.108665878601044
Energy: 1.1202674421740269
Energy: 1.1086658786023214
Energy: 1.1202674421753045
Energy: 1.1086658786016825
Energy: 1.122314271572995
Energy: 1.2184601966508635
Energy: 1.1223142715723562
Energy: 1.2184601966495858
Energy: 1.1223142715723562
Energy: 1.2184601966508635
Energy: 1.1223142715717174
Energy: 1.251772244610698
Energy: 1.2183429103090004
Energy: 1.251772244610698
Energy: 1.2183429103090004
Energy: 1.251772244610059
Energy: 1.2183429103096393
Energy: 1.2517722446113368
Energy: 1.233991110521791
Energy: 1.2886130235306648
Energy: 1.2339911105230685
Energy: 1.2886130477364641
Energy: 1.233991110521152
Energy: 1.2886129963221002
Energy: 1.2339911105230685
Energy: 1.1084405474039412
Energy: 1.1099885375719003
Energy: 1.1084405474026633
Energy: 1.1099885375719003
Energy: 1.1084405474026633
Energy: 1.1099885375719003
Energy: 1.1084405474033023
Energy: 1.2073420522068947
Energy: 1.2283863431033804
Energy: 1.2073420522068947
Energy: 1.2283863431033804
Energy: 1.2073420522068947
Energy: 1.2283863431033804
Energy: 1.2073420522068947
Energy: 1.2511515550428882
Energy: 1.2256750148186852
Energy: 1.251151555043527
Energy: 1.2256750148193238
Energy: 1.2511515550428882
Energy: 1.2256750148193238
Energy: 1.251151555043527
Energy: 1.2073614402523365
Energy: 1.2283899224128825
Energy: 1.2073614402516977
Energy: 1.2283899224122434
Energy: 1.2073614402529755
Energy: 1.2283899224128825
Energy: 1.2073614402529755
Energy: 1.1084953389675423
Energy: 1.1099889196470056
Energy: 1.108495338968181
Energy: 1.1099889196476445
Energy: 1.1084953389675423
Energy: 1.1099889196476445
Energy: 1.1084953389669032
Energy: 1.233986603928277
Energy: 1.2885494428779856
Energy: 1.2339866039289158
Energy: 1.2885496182341734
Energy: 1.2339866039295546
Energy: 1.2885494992581978
Energy: 1.233986603928277
Energy: 1.2030387383316432
Energy: 1.217045707416749
Energy: 1.203038738332282
Energy: 1.21704570741611
Energy: 1.2030387383329209
Energy: 1.217045707416749
Energy: 1.2030387383316432
Energy: 1.1223190745013387
Energy: 1.2185589715157936
Energy: 1.1223190745007
Energy: 1.2185589715164324
Energy: 1.1223190745000609
Energy: 1.2185589715157936
Energy: 1.1223190745007
Energy: 1.1086646384511543
Energy: 1.1202665488039572
Energy: 1.1086646384511543
Energy: 1.1202665488045962
Energy: 1.108664638451793
Energy: 1.1202665488039572
Energy: 1.1086646384511543
Energy: 1.2526670819214778
Energy: 1.2828185183239211
Energy: 1.2526670819214778
Energy: 1.2828185183239211
Energy: 1.2526670819214778
Energy: 1.2828185183239211
Energy: 1.2526670819214778
Energy: 1.2793874817633666
Energy: 1.2824516050369277
Energy: 1.2793874817627278
Energy: 1.2824516050382055
Energy: 1.2793874817633666
Energy: 1.2824516050375665
Energy: 1.2793874817633666
Energy: 1.114894174028778
Energy: 1.1196518815498873
Energy: 1.1148941740300558
Energy: 1.1196518815498873
Energy: 1.114894174028778
Energy: 1.1196518815505263
Energy: 1.1148941740300558

minimum gb energy = 1.1029167355366651 eV
minimum distance =  2.33056435324936 Angstroms
sigma value = 39


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

Energy: 1.188138204780348
Energy: 1.1804513711278357
Energy: 1.188138204780348
Energy: 1.1804513711263278
Energy: 1.1881382047788398
Energy: 1.1804513711270819
Energy: 1.1881382047788398
Energy: 1.2348609283309524
Energy: 1.0978393888847109
Energy: 1.2348609283294445
Energy: 1.0978393888847109
Energy: 1.2348609283301986
Energy: 1.0978393888847109
Energy: 1.2348609283294445
Energy: 1.1546736086973035
Energy: 1.1307306073127017
Energy: 1.1546736086965497
Energy: 1.1307306073111938
Energy: 1.1546736086973035
Energy: 1.1307306073119479
Energy: 1.1546736086965497
Energy: 1.230486975473916
Energy: 1.096526329601866
Energy: 1.2304869480512215
Energy: 1.096526329601866
Energy: 1.2304870567027597
Energy: 1.096526329601866
Energy: 1.2304874745922265
Energy: 1.2276668795858563
Energy: 1.0971200903658582
Energy: 1.2276668795828403
Energy: 1.0971200903658582
Energy: 1.2276668796785661
Energy: 1.0971200903658582
Energy: 1.2276668795888726
Energy: 1.2305376201017233
Energy: 1.095451758913726
Energy: 1.2305376201009692
Energy: 1.0954517589167423
Energy: 1.2305376201017233
Energy: 1.0954517589152342
Energy: 1.2305376201009692
Energy: 1.2829776564459816
Energy: 1.1315693100846984
Energy: 1.2491419282541303
Energy: 1.1315693100846984
Energy: 1.2240168536069398
Energy: 1.1315693100846984
Energy: 1.1750263653965112
Energy: 1.1560568298449851
Energy: 1.0958703187094916
Energy: 1.156056829844231
Energy: 1.0958703187094916
Energy: 1.156056829844231
Energy: 1.0958703187094916
Energy: 1.156056829844231
Energy: 1.2340937426523755
Energy: 1.0964094952419317
Energy: 1.2340937427156786
Energy: 1.0964094952419317
Energy: 1.2340937426727
Energy: 1.0964094952419317
Energy: 1.2340937426772236
Energy: 1.1546311545002068
Energy: 1.1542644826488568
Energy: 1.1546311545002068
Energy: 1.1542644826488568
Energy: 1.1546311545002068
Energy: 1.1542644826481028
Energy: 1.1546311544994527
Energy: 1.2468643513420046
Energy: 1.1307929510890613
Energy: 1.2239028568337107
Energy: 1.1307929510883072
Energy: 1.173856213559799
Energy: 1.1307929510890613
Energy: 1.173856213559045
Energy: 1.1558968243593541
Energy: 1.095799358918626
Energy: 1.1558968243601082
Energy: 1.095799358917118
Energy: 1.1558968243608623
Energy: 1.095799358917872
Energy: 1.1558968243608623
Energy: 1.1966958499063634
Energy: 1.112201950913309
Energy: 1.196695454145709
Energy: 1.112201950913309
Energy: 1.1966888724279077
Energy: 1.112201950913309
Energy: 1.1966959111030409
Energy: 1.15457318794402
Energy: 1.096078826580138
Energy: 1.1545731879447743
Energy: 1.0960788265808918
Energy: 1.15457318794402
Energy: 1.0960788265808918
Energy: 1.1545731879447743
Energy: 1.1936951283211055
Energy: 1.1589412373712777
Energy: 1.1936951283309076
Energy: 1.1589412373705237
Energy: 1.1936951283211055
Energy: 1.1589412373705237
Energy: 1.1493431277572645
Energy: 1.1545968170357874
Energy: 1.0958953408661922
Energy: 1.1545968170357874
Energy: 1.0958953408661922
Energy: 1.1545968170350334
Energy: 1.0958953408654382
Energy: 1.1545968170365415
Energy: 1.1967320729102489
Energy: 1.1119890599755018
Energy: 1.196729143834864
Energy: 1.1119890599739939
Energy: 1.1967288475444295
Energy: 1.1119890599755018
Energy: 1.1967288821437176
Energy: 1.1558164133651356
Energy: 1.0958004825015704
Energy: 1.1558164133643816
Energy: 1.0958004825030785
Energy: 1.1558164133636275
Energy: 1.0958004825015704
Energy: 1.1558164133666438
Energy: 1.2256603524893035
Energy: 1.130812829193459
Energy: 1.2256603524930736
Energy: 1.1308128291927049
Energy: 1.2256603524893035
Energy: 1.130812829193459
Energy: 1.225660352502876
Energy: 1.1546292262216715
Energy: 1.154339827694834
Energy: 1.1546292262216715
Energy: 1.15433982769408
Energy: 1.1546292262216715
Energy: 1.154339827694834
Energy: 1.1546292262216715
Energy: 1.234050847026029
Energy: 1.0964129789141162
Energy: 1.2340508470803182
Energy: 1.0964129789133623
Energy: 1.234050847019243
Energy: 1.0964129789141162
Energy: 1.234050847027537
Energy: 1.156154347643974
Energy: 1.0957102444112037
Energy: 1.156154347643974
Energy: 1.0957102444112037
Energy: 1.156154347643974
Energy: 1.0957102444112037
Energy: 1.15615434764322
Energy: 1.2971937165254785
Energy: 1.1315643572490661
Energy: 1.2971937165247247
Energy: 1.1315643572483123
Energy: 1.2971937165254785
Energy: 1.1315643572490661
Energy: 1.2971937165239704
Energy: 1.2305222699515632
Energy: 1.0954550041744804
Energy: 1.2305222699500553
Energy: 1.0954550041737265
Energy: 1.2305222699515632
Energy: 1.0954550041744804
Energy: 1.2305222699500553
Energy: 1.2278764283695751
Energy: 1.09712729729597
Energy: 1.227876428359773
Energy: 1.09712729729597
Energy: 1.227876428368821
Energy: 1.097127297295216
Energy: 1.2278764283484624
Energy: 1.2302104595721404
Energy: 1.0965232120660493
Energy: 1.2302104596053172
Energy: 1.0965232120652955
Energy: 1.2302104596761605
Energy: 1.0965232120660493
Energy: 1.2302104595646344
Energy: 1.154666030047536
Energy: 1.1307185951917478
Energy: 1.1546660300460279
Energy: 1.1307185951909937
Energy: 1.154666030046782
Energy: 1.1307185951909937
Energy: 1.1546660300460279
Energy: 1.234876245520371
Energy: 1.098011801998669
Energy: 1.234876245518109
Energy: 1.0980118020001775
Energy: 1.234876245520371
Energy: 1.0980118020001775
Energy: 1.234876245518109
Energy: 1.188138204778086
Energy: 1.1804513711263278
Energy: 1.1881382047788398
Energy: 1.1804513711255737
Energy: 1.188138204778086
Energy: 1.1804513711270819
Energy: 1.1881382047788398
Energy: 1.2348609283309524
Energy: 1.0978393888839568
Energy: 1.2348609283294445
Energy: 1.097839388885465
Energy: 1.2348609283309524
Energy: 1.0978393888847109
Energy: 1.2348609283301986

minimum gb energy = 1.095451758913726 eV
minimum distance =  2.28405711040714 Angstroms
sigma value = 21


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

Energy: 1.1387752904660948
Energy: 1.124210072438296
Energy: 1.1387752904651796
Energy: 1.124210072438296
Energy: 1.1387752904660948
Energy: 1.124210072438296
Energy: 1.1387752904660948
Energy: 1.0895816341114781
Energy: 1.06591195140017
Energy: 1.0895816341105626
Energy: 1.06591195140017
Energy: 1.0895816341114781
Energy: 1.065911951399255
Energy: 1.0895816341105626
Energy: 1.1121167943907269
Energy: 1.0960245789943408
Energy: 1.1121167943907269
Energy: 1.0960245789934253
Energy: 1.1121167943907269
Energy: 1.0960245789943408
Energy: 1.1121167943907269
Energy: 1.0416345408935272
Energy: 1.0523601825539746
Energy: 1.0416345408935272
Energy: 1.0523601819684263
Energy: 1.0416345408935272
Energy: 1.0523601839172303
Energy: 1.0416345408944425
Energy: 1.0117775438037209
Energy: 1.0536609982697327
Energy: 1.0117775438037209
Energy: 1.0536609982697327
Energy: 1.0117775438037209
Energy: 1.0536609982697327
Energy: 1.0117775438046364
Energy: 1.0247074415864375
Energy: 1.0935628083415483
Energy: 1.0247074415864375
Energy: 1.0935628083406328
Energy: 1.0247074415864375
Energy: 1.0935628083415483
Energy: 1.0247074415864375
Energy: 0.9703382410192797
Energy: 1.005316356777253
Energy: 0.9703382410201952
Energy: 1.0053163168357648
Energy: 0.9703382410201952
Energy: 1.0053162257494035
Energy: 0.9703382410201952
Energy: 0.9864152614960227
Energy: 1.0715807858890312
Energy: 0.9864152614960227
Energy: 1.0715807858890312
Energy: 0.9864152614960227
Energy: 1.0715807858890312
Energy: 0.9864152614969378
Energy: 1.0422663222333526
Energy: 1.0248121763721627
Energy: 1.0422663222342679
Energy: 1.0248121763721627
Energy: 1.0422663222333526
Energy: 1.0248121763730569
Energy: 1.0422663222333526
Energy: 1.0419552324983568
Energy: 1.2438599394597252
Energy: 1.0419552324974621
Energy: 1.24385993946062
Energy: 1.0419552324983568
Energy: 1.2438599394597252
Energy: 1.0419552324974621
Energy: 0.9705209711910325
Energy: 1.071489896092733
Energy: 0.9705209711910325
Energy: 1.0714898960936485
Energy: 0.970520971191948
Energy: 1.0714898960936485
Energy: 0.9705209711910325
Energy: 0.9861743145590776
Energy: 1.0771323792953071
Energy: 0.9861743145590776
Energy: 1.0771323792953071
Energy: 0.9861743145599928
Energy: 1.0771323792962226
Energy: 0.9861743145590776
Energy: 1.0423766007372017
Energy: 1.0248353247191702
Energy: 1.0423766007362865
Energy: 1.0248353247191702
Energy: 1.0423766007372017
Energy: 1.0248353247191702
Energy: 1.0423766007362865
Energy: 1.063144331669151
Energy: 1.053759949411118
Energy: 1.063144331669151
Energy: 1.053759949412949
Energy: 1.063144331669151
Energy: 1.053759949411118
Energy: 1.0631443316682354
Energy: 1.088852231283401
Energy: 1.0714857815535737
Energy: 1.0888522310144155
Energy: 1.0714857815535737
Energy: 1.088852230941209
Energy: 1.0714857815535737
Energy: 1.0888522311315167
Energy: 1.0906598922515989
Energy: 1.0329416133799716
Energy: 1.0906598922515989
Energy: 1.0329416133799716
Energy: 1.0906598922515989
Energy: 1.032941613379056
Energy: 1.0906598922515989
Energy: 1.1054157738628878
Energy: 1.0567727205317803
Energy: 1.1054157738628878
Energy: 1.056772720530865
Energy: 1.1054157738619725
Energy: 1.0567727205317803
Energy: 1.1054157738628878
Energy: 1.096171352269992
Energy: 1.0536402422117894
Energy: 1.096171352269992
Energy: 1.0536402422017206
Energy: 1.0961713522709073
Energy: 1.0536402422008053
Energy: 1.0961713522709073
Energy: 1.0036152816793174
Energy: 1.0717075622933754
Energy: 1.0036152978361559
Energy: 1.0717075622942909
Energy: 1.0036153155721668
Energy: 1.0717075622933754
Energy: 1.003615427172288
Energy: 0.9859641163360758
Energy: 1.024420275171211
Energy: 0.9859641163369912
Energy: 1.024420275171211
Energy: 0.9859641163360758
Energy: 1.024420275171211
Energy: 0.9859641163360758
Energy: 1.0420309480271337
Energy: 1.0252008777657593
Energy: 1.0420309480271337
Energy: 1.025200878541615
Energy: 1.0420309480271337
Energy: 1.025200878128068
Energy: 1.0420309480271337
Energy: 0.9705581157223292
Energy: 1.0319916721407736
Energy: 0.9705581157214138
Energy: 1.031991731965622
Energy: 0.9705581157223292
Energy: 1.0319918129163443
Energy: 0.9705581157214138
Energy: 0.9668296339296945
Energy: 1.0716411248645366
Energy: 1.0325344275841184
Energy: 1.0716411248654518
Energy: 0.9711085879183449
Energy: 1.0716411248654518
Energy: 0.9711085879183449
Energy: 1.0413995083204262
Energy: 1.0242182491029168
Energy: 1.0413995083204262
Energy: 1.0242182491029168
Energy: 1.0413995083204262
Energy: 1.0242182491029168
Energy: 1.0413995083204262
Energy: 1.0422025366945389
Energy: 1.0099606011237305
Energy: 1.0422025366945389
Energy: 1.0099606011237305
Energy: 1.0422025366945389
Energy: 1.0099606011237305
Energy: 1.0422025366945389

minimum gb energy = 0.9668296339296945 eV
minimum distance =  2.32852556328 Angstroms
sigma value = 113


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

Energy: 0.9925441563225638
Energy: 1.2071300644614409
Energy: 0.9925441563230747
Energy: 1.2071300644619516
Energy: 0.9925441563220528
Energy: 1.2071300644614409
Energy: 0.992544156321542
Energy: 1.0057201554447375
Energy: 0.9582869929721652
Energy: 1.0057201554432051
Energy: 0.9582869929711435
Energy: 1.0057201554442265
Energy: 0.9582869929726762
Energy: 1.0057201554432051
Energy: 0.9994158806771912
Energy: 0.9761878132583891
Energy: 0.9994158806766804
Energy: 0.976187813255324
Energy: 0.9994158806766804
Energy: 0.9761878132568564
Energy: 0.9994158806756587
Energy: 0.9544349768431846
Energy: 0.9454794848321978
Energy: 0.9544349768436955
Energy: 0.9454794848347521
Energy: 0.9544349768431846
Energy: 0.9454794848342413
Energy: 0.9544349768436955
Energy: 0.925419978073529
Energy: 1.0686791128155522
Energy: 0.9254199780694423
Energy: 1.0686791128150412
Energy: 0.9254199780730185
Energy: 1.0686791128150412
Energy: 0.9254199780694423
Energy: 0.9421983691944221
Energy: 0.9579879021931605
Energy: 0.9421983691954436
Energy: 0.9579879021926497
Energy: 0.9421983691944221
Energy: 0.9579879021926497
Energy: 0.9421983691949328
Energy: 0.9312994124653865
Energy: 0.9328826825897328
Energy: 0.9312994124643648
Energy: 0.9328826825830917
Energy: 0.9312994124648757
Energy: 0.9328826825529514
Energy: 0.9312994124643648
Energy: 0.9456775347069561
Energy: 0.9144440962853522
Energy: 0.9456775347064453
Energy: 0.9144440962838198
Energy: 0.9456775347074671
Energy: 0.9144440962853522
Energy: 0.9456775347074671
Energy: 0.9362645605045204
Energy: 1.0178645416148067
Energy: 0.936264560501966
Energy: 1.0178645416173606
Energy: 0.9362645605045204
Energy: 1.0178645416153174
Energy: 0.9362645605029879
Energy: 0.9558347610159532
Energy: 0.91924286568755
Energy: 0.9558347610154424
Energy: 0.9192428656880608
Energy: 0.9558347610164641
Energy: 0.9192428656870391
Energy: 0.9558347610154424
Energy: 0.8918898249881393
Energy: 0.9040832238376871
Energy: 0.8918898249855851
Energy: 0.9040832238346221
Energy: 0.8918898249850743
Energy: 0.9040832238407523
Energy: 0.8918898249866068
Energy: 0.9306426689405775
Energy: 0.9238210185013329
Energy: 0.9306426689405775
Energy: 0.9238210185023548
Energy: 0.9306426689390448
Energy: 0.9238210185013329
Energy: 0.9306426689410883
Energy: 0.8615691774759798
Energy: 1.0906457656783992
Energy: 0.8615691774780231
Energy: 1.0906457656799318
Energy: 0.8615691774836426
Energy: 1.0906457656789101
Energy: 0.8615691774800665
Energy: 0.9177289915724041
Energy: 0.9212166467291915
Energy: 0.9177289915724041
Energy: 0.9212166467291915
Energy: 0.9177289915713823
Energy: 0.9212166467297023
Energy: 0.9177289915724041
Energy: 0.9221933587371738
Energy: 0.8880854192639295
Energy: 0.9221933587387063
Energy: 0.8880854233392276
Energy: 0.9221933587366629
Energy: 0.8880854192470713
Energy: 0.9221933587381955
Energy: 0.9168977125852303
Energy: 1.089538173890411
Energy: 0.916897712582676
Energy: 1.0895381738893894
Energy: 0.9168977125852303
Energy: 1.0895381738899002
Energy: 0.9168977125842085
Energy: 0.8611205457950052
Energy: 0.9118399065872939
Energy: 0.8611205458042006
Energy: 0.911839906586783
Energy: 0.8611205457975595
Energy: 0.9118399065857613
Energy: 0.8611205457990921
Energy: 0.9202862131084126
Energy: 0.9238281198582827
Energy: 0.9202862131094345
Energy: 0.9238281198593045
Energy: 0.9202862131094345
Energy: 0.9238281198628804
Energy: 0.9202862131079018
Energy: 0.9242227990480291
Energy: 0.8879090875968589
Energy: 0.9242227990464966
Energy: 0.8879090878670066
Energy: 0.92422279904854
Energy: 0.8879090875059737
Energy: 0.9242227990454748
Energy: 0.9224587026147493
Energy: 1.0011184005859062
Energy: 0.9224587026107088
Energy: 1.0011184005848843
Energy: 0.9224587026142383
Energy: 1.0011184005864169
Energy: 0.9224587026112196
Energy: 0.9249545491438113
Energy: 0.9011723671120516
Energy: 0.9249545491422787
Energy: 0.9011723671115407
Energy: 0.9249545491448329
Energy: 0.9011723671115407
Energy: 0.9249545491433004
Energy: 0.9359192626189218
Energy: 0.8843628775214957
Energy: 0.9359192626199435
Energy: 0.8843628747998623
Energy: 0.9359192626199435
Energy: 0.8843628930766583
Energy: 0.9359192626184109
Energy: 0.9253110553084661
Energy: 0.9007541227495275
Energy: 0.9253110553069336
Energy: 0.9007541227500383
Energy: 0.9253110553084661
Energy: 0.9007541227495275
Energy: 0.9253110553074445
Energy: 0.9140438914606908
Energy: 0.9531471890713655
Energy: 0.9140438914698862
Energy: 0.9531471890672788
Energy: 0.9140438915597962
Energy: 0.9531471890652353
Energy: 0.9140438915337427
Energy: 1.0194212382626446
Energy: 0.9389200957258487
Energy: 1.0194212382626446
Energy: 0.9389200957222726
Energy: 1.019421238262134
Energy: 0.9389200957258487
Energy: 1.0194212382626446
Energy: 0.9897235235298666
Energy: 0.9422909485760704
Energy: 0.9897235235273123
Energy: 0.9422909485740272
Energy: 0.9897235235313991
Energy: 0.9422909485735164
Energy: 0.9897235235273123
Energy: 0.9930532751414249
Energy: 0.9375778283109335
Energy: 0.9930532751419358
Energy: 0.9375778283594642
Energy: 0.9930532751404034
Energy: 0.9375778284697619
Energy: 0.9930532751429575
Energy: 0.9763529443214891
Energy: 1.1567647039036297
Energy: 0.9763529445160309
Energy: 1.156764703905673
Energy: 0.9763529443138265
Energy: 1.1567647039031188
Energy: 0.9763529443725744
Energy: 1.0788072614567574
Energy: 0.9536312026943973
Energy: 1.0788072614562467
Energy: 0.9536312026749848
Energy: 1.0788072614572686
Energy: 0.9536312026770283
Energy: 1.0788072614567574
Energy: 0.9863510943777002
Energy: 0.9423284306298542
Energy: 0.9863510943782111
Energy: 0.9423284306288325
Energy: 0.9863510943787219
Energy: 0.9423284306303651
Energy: 0.9863510943771893
Energy: 0.9283725233185938
Energy: 0.9487803043728512
Energy: 0.9283725233206372
Energy: 0.9487803043754055
Energy: 0.9283725233191046
Energy: 0.948780304376938
Energy: 0.928372523318083
Energy: 0.9141252806973191
Energy: 1.127319864187294
Energy: 0.9141252806973191
Energy: 1.127319864187294
Energy: 0.9141252806942541
Energy: 1.1273198641878048
Energy: 0.9141252807054928
Energy: 0.9123009714542426
Energy: 0.9579282903445122
Energy: 0.9123009714670139
Energy: 0.9579282903445122
Energy: 0.9123009714491341
Energy: 0.9579282903445122
Energy: 0.9123009714762093
Energy: 0.9163142961704726
Energy: 0.8835959017318057
Energy: 0.9163142961699616
Energy: 0.8835959017292514
Energy: 0.91631429616894
Energy: 0.8835959017297622
Energy: 0.9163142961704726
Energy: 0.9437803505528976
Energy: 0.9146298366186477
Energy: 0.9437803505493216
Energy: 0.9146298366212021
Energy: 0.943780350551365
Energy: 0.9146298366206911
Energy: 0.9437803505503435
Energy: 0.9007880144719057
Energy: 1.0822216152097022
Energy: 0.9007880144719057
Energy: 1.082221615212767
Energy: 0.9007880144734384
Energy: 1.0822216152102129
Energy: 0.9007880144729274
Energy: 0.9254864479480926
Energy: 0.919864676730183
Energy: 0.9254864479486036
Energy: 0.9198646767317153
Energy: 0.9254864479491144
Energy: 0.9198646767296721
Energy: 0.9254864479491144
Energy: 0.907693944123387
Energy: 0.8935585340771208
Energy: 0.9076939441238979
Energy: 0.8935585340766098
Energy: 0.9076939441243622
Energy: 0.8935585340771208
Energy: 0.9076939441248731
Energy: 0.9280327688374767
Energy: 0.9000289570951386
Energy: 0.9280327688374767
Energy: 0.9000289570956495
Energy: 0.9280327688369657
Energy: 0.9000289570961603
Energy: 0.9280327688374767
Energy: 0.8755909577063847
Energy: 1.0657441413181117
Energy: 0.8755909577079173
Energy: 1.065744141320666
Energy: 0.8755909577048521
Energy: 1.0657441413181117
Energy: 0.8755909577058739
Energy: 0.917552434547974
Energy: 0.9198774065359213
Energy: 0.9175524345515498
Energy: 0.9198774065354105
Energy: 0.917552434547463
Energy: 0.9198774065354105
Energy: 0.9175524345515498
Energy: 0.9211621650595921
Energy: 0.8910879039018779
Energy: 0.9211621650580596
Energy: 0.891087903901367
Energy: 0.9211621650590813
Energy: 0.8910879038993236
Energy: 0.9211621650580596
Energy: 0.9184717472641385
Energy: 1.086388349823973
Energy: 0.9184717472641385
Energy: 1.0863883498249947
Energy: 0.9184717472646493
Energy: 1.086388349823973
Energy: 0.9184717472636277
Energy: 0.8754131198264402
Energy: 0.9004026789516717
Energy: 0.8754131198254186
Energy: 0.9004026789542258
Energy: 0.8754131198254186
Energy: 0.9004026789526933
Energy: 0.8754131198233753
Energy: 0.9175911585885919
Energy: 0.9288835666931046
Energy: 0.9175911585885919
Energy: 0.9288835666910611
Energy: 0.9175911585891028
Energy: 0.9288835666936155
Energy: 0.9175911585885919

minimum gb energy = 0.8611205457950052 eV
minimum distance =  2.30831906144961 Angstroms
sigma value = 365


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

Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584629973
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584629973
Energy: 1.7658718860016513
Energy: 1.075456850914061
Energy: 1.765850755099504
Energy: 1.075456850914061
Energy: 1.9347463247603491
Energy: 1.075456850914061
Energy: 1.9347463247004828
Energy: 0.3250754584629973
Energy: 0.33804353663828296
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584629973
Energy: 0.33804353663828296
Energy: 0.3250754584641491
Energy: 2.0046683959410085
Energy: 1.075456850914061
Energy: 1.759431200718036
Energy: 1.075456850914061
Energy: 1.7658618148982
Energy: 1.075456850914061
Energy: 1.9347463246855097
Energy: 0.3250754584629973
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.33804353663828296
Energy: 0.3250754584629973
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 1.9347463248892962
Energy: 1.075456850914061
Energy: 1.9347463248662606
Energy: 1.075456850914061
Energy: 1.9347463247350363
Energy: 1.075456850914061
Energy: 1.9347463247810812
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 1.9347463249411
Energy: 1.075456850914061
Energy: 1.9347463246958756
Energy: 1.075456850914061
Energy: 1.9347463247200631
Energy: 1.075456850914061
Energy: 1.9347463252381285
Energy: 0.3250754584629973
Energy: 0.33804353663828296
Energy: 0.3250754584641491
Energy: 0.3380435366405865
Energy: 0.3250754584629973
Energy: 0.33804353663828296
Energy: 0.3250754584641491
Energy: 1.7594312007168844
Energy: 1.075456850914061
Energy: 1.7594312007157324
Energy: 1.075456850914061
Energy: 1.765867387388128
Energy: 1.075456850914061
Energy: 1.9347463249882968
Energy: 0.3250754584629973
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.33804353663828296
Energy: 0.3250754584629973
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 1.9347463247568937
Energy: 1.075456850914061
Energy: 1.9347463253728339
Energy: 1.075456850914061
Energy: 1.9347463250930825
Energy: 1.075456850914061
Energy: 1.934746324752287
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584629973
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584629973
Energy: 1.9347463247396435
Energy: 1.075456850914061
Energy: 1.934746324715456
Energy: 1.075456850914061
Energy: 1.9347463247039385
Energy: 1.075456850914061
Energy: 1.9347463248190637
Energy: 0.3250754584629973
Energy: 0.33804353663828296
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.33804353663828296
Energy: 0.3250754584641491
Energy: 1.9347463253187267
Energy: 1.075456850914061
Energy: 1.934746324698179
Energy: 1.075456850914061
Energy: 1.9347463248536174
Energy: 1.075456850914061
Energy: 1.9347463248939032
Energy: 0.3250754584629973
Energy: 0.3380435366405865
Energy: 0.3250754584641491
Energy: 0.33804353663828296
Energy: 0.3250754584629973
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 1.9347463247810812
Energy: 1.075456850914061
Energy: 1.9347463247189112
Energy: 1.075456850914061
Energy: 1.9347463247937509
Energy: 1.075456850914061
Energy: 1.9347463248409478
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 0.3380435366394347
Energy: 0.3250754584641491
Energy: 1.9347463247327328
Energy: 1.075456850914061
Energy: 1.9347463250631363
Energy: 1.075456850914061
Energy: 1.9347463247396435
Energy: 1.075456850914061
Energy: 1.9347463250458599

minimum gb energy = 0.3250754584629973 eV
minimum distance =  2.31478009806155 Angstroms
sigma value = 23