Model name: model_name=MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_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=2.863657325506211
cohesive_energy=4.290337405585513
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: 0.016180520871826337
Energy: 0.16822506799402812
Energy: 0.016180520871826337
Energy: 0.16822506799402812
Energy: 0.016180520871826337
Energy: 0.16822506799402812
Energy: 0.016180520871826337
Energy: 0.016753123134521784
Energy: 0.630113303415876
Energy: 0.016753123134929836
Energy: 0.630113303415468
Energy: 0.016753123134929836
Energy: 0.630113303415876
Energy: 0.016753123134929836
Energy: 0.48244393492416826
Energy: 0.5614794330067364
Energy: 0.48244393492416826
Energy: 0.5614794330063283
Energy: 0.482443934924531
Energy: 0.5614794330067364
Energy: 0.48244393492416826
Energy: 0.016753123134929836
Energy: 0.630113303415468
Energy: 0.016753123134929836
Energy: 0.630113303415876
Energy: 0.01675312313533789
Energy: 0.630113303415876
Energy: 0.016753123134929836
Energy: 0.016180520871826337
Energy: 0.16822506799402812
Energy: 0.016180520871826337
Energy: 0.16822506799402812
Energy: 0.016180520871826337
Energy: 0.16822506799443618
Energy: 0.016180520871826337
Energy: 0.016753123134521784
Energy: 0.630113303415468
Energy: 0.016753123134521784
Energy: 0.630113303415876
Energy: 0.016753123134929836
Energy: 0.630113303415876
Energy: 0.016753123134929836

minimum gb energy = 0.016180520871826337 eV
minimum distance =  2.4764357645525 Angstroms
sigma value = 5


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

Energy: 1.2895964455211848
Energy: 1.264611506652813
Energy: 1.2895964455182602
Energy: 1.2646115066523254
Energy: 1.28959644552021
Energy: 1.2646115066581303
Energy: 1.2895964455187476
Energy: 1.2406214008517076
Energy: 1.1915157682264221
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Energy: 1.1373641339150533
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Energy: 1.148107706511665
Energy: 1.1889502280045492
Energy: 1.1481077065126397
Energy: 1.1889502280069864
Energy: 1.2414386077943034
Energy: 1.2063458288163544
Energy: 1.2414386077938158
Energy: 1.2063458288173294
Energy: 1.2414386077918662
Energy: 1.2063458288163544
Energy: 1.2414386077938158
Energy: 1.204759543719773
Energy: 1.220599004658558
Energy: 1.2047595437207477
Energy: 1.2205990046590454
Energy: 1.20475954372026
Energy: 1.2205990046600201
Energy: 1.2047595437183105
Energy: 1.1719507358494237
Energy: 1.1830586753450183
Energy: 1.1719507358503984
Energy: 1.1830586753464805
Energy: 1.171950735849911
Energy: 1.1830586753455057
Energy: 1.1719507358513734
Energy: 1.1632999328337066
Energy: 1.1780653894015265
Energy: 1.1632999328337066
Energy: 1.1780653894000641
Energy: 1.1632999328346816
Energy: 1.1780653894010389
Energy: 1.1632999328312694
Energy: 1.1566729324279839
Energy: 1.1955362990191207
Energy: 1.1566729324284712
Energy: 1.1955362990176586
Energy: 1.1566729324284712
Energy: 1.1955362990186333
Energy: 1.156672932429446

minimum gb energy = 1.120911953131248 eV
minimum distance =  2.31296238791572 Angstroms
sigma value = 401


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

Energy: 1.2889099184276953
Energy: 1.2746551280551743
Energy: 1.2889099184276953
Energy: 1.2746551280535146
Energy: 1.288909918428802
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Energy: 1.1795421603972203
Energy: 1.2481907497398825
Energy: 1.1795421603983272
Energy: 1.1797019790589287
Energy: 1.2483894726842408
Energy: 1.1797019790594818
Energy: 1.2483894726825808
Energy: 1.1797019790583754
Energy: 1.2483894726831344
Energy: 1.1797019790583754
Energy: 1.1326404887758075
Energy: 1.2729135390973512
Energy: 1.1326404887747008
Energy: 1.2729135390979047
Energy: 1.1326404887780208
Energy: 1.2729135390984576
Energy: 1.132640488776914
Energy: 1.13316898735016
Energy: 1.318827916442206
Energy: 1.1331689873485
Energy: 1.318827916442206
Energy: 1.1331689873496065
Energy: 1.3188279164444194
Energy: 1.1331689873496065
Energy: 1.1771031785459927
Energy: 1.1953560483697696
Energy: 1.1771031785415664
Energy: 1.195356048370323
Energy: 1.1771031785432264
Energy: 1.1953560483714294
Energy: 1.1771031785443329
Energy: 1.1766924079612198
Energy: 1.2159945704146433
Energy: 1.1766924079601133
Energy: 1.2159945704146433
Energy: 1.1766924079601133
Energy: 1.2159945704129833
Energy: 1.1766924079579
Energy: 1.2889099184276953
Energy: 1.2746551280535146
Energy: 1.288909918427142
Energy: 1.2746551280529612
Energy: 1.2889099184276953
Energy: 1.2746551280518543
Energy: 1.2889099184254824
Energy: 1.1328788360421724
Energy: 1.1894321789411182
Energy: 1.132878836041619
Energy: 1.1894321789400115
Energy: 1.1328788360421724
Energy: 1.189432178942778
Energy: 1.132878836039959

minimum gb energy = 1.1326404887747008 eV
minimum distance =  2.32206554082363 Angstroms
sigma value = 311


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

Energy: 1.1911716607655147
Energy: 1.227049503572172
Energy: 1.2518438978072854
Energy: 1.2639392274503398
Energy: 1.1911716607655147
Energy: 1.227049503572811
Energy: 1.2518438978066464
Energy: 1.151709463794831
Energy: 1.1492135683521087
Energy: 1.2086302045475292
Energy: 1.1512865362534952
Energy: 1.15170946379547
Energy: 1.1492135683527476
Energy: 1.2086302045462516
Energy: 1.1619914375080012
Energy: 1.165314137925872
Energy: 1.1620905737515563
Energy: 1.1654708658938058
Energy: 1.16199143750864
Energy: 1.165314137926511
Energy: 1.1620905737509173
Energy: 1.2319497101349572
Energy: 1.2276465394481952
Energy: 1.1917026605965018
Energy: 1.227646539448834
Energy: 1.2319497101349572
Energy: 1.2276465394354172
Energy: 1.1917026605971408
Energy: 1.2785785807415113
Energy: 1.2641614309915234
Energy: 1.2787569422570675
Energy: 1.2641614309921623
Energy: 1.2785785807415113
Energy: 1.2641614309928013
Energy: 1.2787569422570675
Energy: 1.1541496280762031
Energy: 1.3017697878344023
Energy: 1.1541496280762031
Energy: 1.329323600550479
Energy: 1.1541496280762031
Energy: 1.3017697878331247
Energy: 1.154149628076842
Energy: 1.1649702133043853
Energy: 1.2789095950814464
Energy: 1.1649702133043853
Energy: 1.2777666682554027
Energy: 1.1649702133043853
Energy: 1.2789095950808074
Energy: 1.1649702133043853
Energy: 1.2514800370737162
Energy: 1.2635003175705932
Energy: 1.2514800370737162
Energy: 1.2635003175712323
Energy: 1.2514800370737162
Energy: 1.2635003175712323
Energy: 1.2514800370730772
Energy: 1.2512191649023874
Energy: 1.2688491671282223
Energy: 1.2512191649023874
Energy: 1.2688491671275834
Energy: 1.2512191649017483
Energy: 1.2688491671275834
Energy: 1.2512191649023874
Energy: 1.1487885910085607
Energy: 1.2343218501792625
Energy: 1.148760742237805
Energy: 1.2343939235264247
Energy: 1.1487885910091995
Energy: 1.2343218501786237
Energy: 1.1487607422384438
Energy: 1.1516813981662073
Energy: 1.2542713170575293
Energy: 1.151670802219568
Energy: 1.2542811063777062
Energy: 1.1516813981655682
Energy: 1.2542713170575293
Energy: 1.1516708022189293
Energy: 1.2656733930938857
Energy: 1.2265098994704282
Energy: 1.2656733930932467
Energy: 1.2265098994704282
Energy: 1.2656733930926078
Energy: 1.226509899471067
Energy: 1.2656733930932467
Energy: 1.2616508837825031
Energy: 1.2247341257036162
Energy: 1.2616508837825031
Energy: 1.2247341257029771
Energy: 1.2616508837825031
Energy: 1.224734125704255
Energy: 1.261650883783142
Energy: 1.1453920086832987
Energy: 1.1749958308339004
Energy: 1.1453920086839375
Energy: 1.1749958308339004
Energy: 1.1453920086832987
Energy: 1.1749958308339004
Energy: 1.1453920086832987
Energy: 1.2479505200465306
Energy: 1.2986514530510376
Energy: 1.2479505200471694
Energy: 1.2983995329683773
Energy: 1.2479505200465306
Energy: 1.2986514530510376
Energy: 1.2479505200465306
Energy: 1.190976930272908
Energy: 1.2183600449842393
Energy: 1.190976930272908
Energy: 1.2183600449836003
Energy: 1.190976930272269
Energy: 1.2183600449842393
Energy: 1.190976930272908
Energy: 1.1613380667096787
Energy: 1.1969780476024994
Energy: 1.16133806670904
Energy: 1.196952619920602
Energy: 1.16133806670904
Energy: 1.1969780476031382
Energy: 1.16133806670904
Energy: 1.1663256489916753
Energy: 1.2288855935823166
Energy: 1.166220632894618
Energy: 1.2243415471079038
Energy: 1.1663256489910365
Energy: 1.2288855935829555
Energy: 1.1662206328939793
Energy: 1.2821034009648693
Energy: 1.2927206370086985
Energy: 1.2821034009655081
Energy: 1.347960150303374
Energy: 1.2821034009648693
Energy: 1.2927206370093376
Energy: 1.2821034009655081
Energy: 1.2510159227097337
Energy: 1.304005537530752
Energy: 1.2510159227103728
Energy: 1.3202246670229802
Energy: 1.2510159227097337
Energy: 1.3040055375320296
Energy: 1.2510159227103728
Energy: 1.160949711639147
Energy: 1.1573130905826299
Energy: 1.160949711639147
Energy: 1.1573130905826299
Energy: 1.1609497116385081
Energy: 1.1573130905826299
Energy: 1.1609497116385081
Energy: 1.1658643818943482
Energy: 1.2508238215978873
Energy: 1.1658643818949872
Energy: 1.2508238215978873
Energy: 1.1658643818943482
Energy: 1.2508238215985261
Energy: 1.1658643818937093
Energy: 1.2510590038021072
Energy: 1.218275575575106
Energy: 1.3085906374271312
Energy: 1.2510842732605556
Energy: 1.2510590038021072
Energy: 1.218275575575106
Energy: 1.3085906374264924
Energy: 1.23362587361691
Energy: 1.2862507554553881
Energy: 1.2864954015505985
Energy: 1.3068204569401243
Energy: 1.233625873615632
Energy: 1.286250755451555
Energy: 1.2864954015493206
Energy: 1.162076398010888
Energy: 1.1518950193974216
Energy: 1.1619029367744904
Energy: 1.151967073965193
Energy: 1.162076398011527
Energy: 1.1518950193974216
Energy: 1.1619029367751295
Energy: 1.258442831313117
Energy: 1.2641258206144124
Energy: 1.2580370942681889
Energy: 1.2607780990445414
Energy: 1.2584428313118396
Energy: 1.2641258206144124
Energy: 1.2580370942694667
Energy: 1.3156516698892229
Energy: 1.2635492724849966
Energy: 1.315002842048789
Energy: 1.2635492724843578
Energy: 1.3156516698898617
Energy: 1.2635492724837187
Energy: 1.3150028420494277
Energy: 1.2066083564178516
Energy: 1.3010673525218663
Energy: 1.2066083564172128
Energy: 1.3261866789452887
Energy: 1.206608356416574
Energy: 1.3010673525218663
Energy: 1.2066083564172128
Energy: 1.1569990105810797
Energy: 1.1647706639571012
Energy: 1.1569990105804406
Energy: 1.1647706639564621
Energy: 1.1569990105810797
Energy: 1.1647706639571012
Energy: 1.1569990105817185
Energy: 1.2336171541319185
Energy: 1.2691916525741305
Energy: 1.2336171541312795
Energy: 1.2691916525741305
Energy: 1.2336171541312795
Energy: 1.2691916525741305
Energy: 1.2336171541312795
Energy: 1.2511608541800865
Energy: 1.2679012390395943
Energy: 1.2511608541800865
Energy: 1.2679012390395943
Energy: 1.251160854180725
Energy: 1.2679012390395943
Energy: 1.2511608541800865
Energy: 1.1529711593400565
Energy: 1.2463388429281084
Energy: 1.1529527782587654
Energy: 1.2463200267260237
Energy: 1.1529711593400565
Energy: 1.2463388429268307
Energy: 1.1529527782587654
Energy: 1.1506247255738813
Energy: 1.1754426130675153
Energy: 1.1506183241294932
Energy: 1.1687366721313033
Energy: 1.1506247255738813
Energy: 1.1754426130681541
Energy: 1.1506183241288541
Energy: 1.2683649283479272
Energy: 1.3091830164999925
Energy: 1.268364928348566
Energy: 1.3091830165006313
Energy: 1.2683649283492051
Energy: 1.3091830165006313
Energy: 1.268364928348566
Energy: 1.3571593766399652
Energy: 1.3094776269052548
Energy: 1.3572566849576349
Energy: 1.3094910315341224
Energy: 1.3571593766399652
Energy: 1.3094776269052548
Energy: 1.3572566849576349
Energy: 1.155687574771847
Energy: 1.1647175179436828
Energy: 1.155687574771847
Energy: 1.1647175179436828
Energy: 1.1556875747712079
Energy: 1.164717517942405
Energy: 1.155687574771847

minimum gb energy = 1.1453920086832987 eV
minimum distance =  2.24457130601662 Angstroms
sigma value = 39


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

Energy: 1.188854821008492
Energy: 1.22809200052073
Energy: 1.1888548210099998
Energy: 1.22809200052073
Energy: 1.188854821008492
Energy: 1.22809200052073
Energy: 1.1888548210092458
Energy: 1.2344020092337407
Energy: 1.0958409967562432
Energy: 1.2344020092329864
Energy: 1.0958409967554892
Energy: 1.2344020092329864
Energy: 1.0958409967562432
Energy: 1.2344020092337407
Energy: 1.1521986500580392
Energy: 1.1287347650126434
Energy: 1.1521986500580392
Energy: 1.1287347650111352
Energy: 1.1521986500572854
Energy: 1.1287347650126434
Energy: 1.1521986500572854
Energy: 1.2478287449782466
Energy: 1.0956390563534337
Energy: 1.2478287449797547
Energy: 1.0956390563534337
Energy: 1.2478287449782466
Energy: 1.0956390563534337
Energy: 1.2478287449782466
Energy: 1.2306549127222925
Energy: 1.0965638874217098
Energy: 1.2306549127230466
Energy: 1.096563887422464
Energy: 1.2306549127230466
Energy: 1.0965638874217098
Energy: 1.2306549127238005
Energy: 1.2477306316562398
Energy: 1.1513744932018344
Energy: 1.2477306316569936
Energy: 1.1513744932010805
Energy: 1.2477306316554857
Energy: 1.1513744932010805
Energy: 1.2477306316547316
Energy: 1.2820567204403133
Energy: 1.1930463743571638
Energy: 1.2820567204403133
Energy: 1.1930463743579176
Energy: 1.2820567204327733
Energy: 1.1930463743579176
Energy: 1.2820567204372975
Energy: 1.216715095327586
Energy: 1.1570602067295095
Energy: 1.216715095328306
Energy: 1.1570602067287556
Energy: 1.2167150953290597
Energy: 1.1570602067280016
Energy: 1.216715095328306
Energy: 1.2524114839836886
Energy: 1.1573666890059897
Energy: 1.2524114839836886
Energy: 1.1573666890067438
Energy: 1.2524114839844427
Energy: 1.1573666890052359
Energy: 1.2524114839844427
Energy: 1.1542046490075484
Energy: 1.20321131427596
Energy: 1.1542046490075484
Energy: 1.203211314275206
Energy: 1.1542046490090565
Energy: 1.203211314273698
Energy: 1.1542046490083024
Energy: 1.2365120404115466
Energy: 1.197059052442569
Energy: 1.2365120404123005
Energy: 1.1970590524433233
Energy: 1.2365120404115466
Energy: 1.197059052442569
Energy: 1.2365120404100387
Energy: 1.1516478052814108
Energy: 1.0958014205123547
Energy: 1.1516478052821646
Energy: 1.0958014205138629
Energy: 1.1516478052814108
Energy: 1.0958014205138629
Energy: 1.1516478052814108
Energy: 1.187746013836242
Energy: 1.1118564520840402
Energy: 1.1877460138354878
Energy: 1.1118564520847942
Energy: 1.187746013836996
Energy: 1.1118564520847942
Energy: 1.1877460138354878
Energy: 1.1547344074590005
Energy: 1.0960898457105752
Energy: 1.1547344074590005
Energy: 1.0960898457105752
Energy: 1.1547344074590005
Energy: 1.0960898457105752
Energy: 1.1547344074590005
Energy: 1.2630915437318817
Energy: 1.159076747252187
Energy: 1.2630915437311276
Energy: 1.159076747251433
Energy: 1.2630915437318817
Energy: 1.159076747251433
Energy: 1.2630915437311276
Energy: 1.1545677070866482
Energy: 1.1506489278992165
Energy: 1.1545677070858944
Energy: 1.1506489278992165
Energy: 1.1545677070866482
Energy: 1.1506489278992165
Energy: 1.1545677070866482
Energy: 1.2660790924942171
Energy: 1.156981666984685
Energy: 1.266079092586926
Energy: 1.156981666984685
Energy: 1.266079092553784
Energy: 1.156981666984685
Energy: 1.266079092480679
Energy: 1.2137239407930112
Energy: 1.15679285135844
Energy: 1.213723940794519
Energy: 1.15679285135844
Energy: 1.213723940794519
Energy: 1.1567928513576862
Energy: 1.2137239407930112
Energy: 1.1732769527518985
Energy: 1.1866658981862162
Energy: 1.1732769528687017
Energy: 1.1866658981862162
Energy: 1.173276952785795
Energy: 1.186665898187724
Energy: 1.1732769528453275
Energy: 1.1540250484321792
Energy: 1.1981320610262198
Energy: 1.1540250484314254
Energy: 1.1981320610254658
Energy: 1.1540250484314254
Energy: 1.1981320610262198
Energy: 1.1540250484321792
Energy: 1.22934046423394
Energy: 1.0960199323430624
Energy: 1.2293404642346941
Energy: 1.0960199323438164
Energy: 1.229340464233186
Energy: 1.0960199323445705
Energy: 1.22934046423394
Energy: 1.1526241686729188
Energy: 1.095557458472566
Energy: 1.152624168672165
Energy: 1.095557458472566
Energy: 1.152624168673673
Energy: 1.095557458472566
Energy: 1.1526241686729188
Energy: 1.2285621079482225
Energy: 1.1313870849107113
Energy: 1.2285621079482225
Energy: 1.1313870849114653
Energy: 1.2285621079489766
Energy: 1.1313870849114653
Energy: 1.2285621079482225
Energy: 1.2324822057608862
Energy: 1.09522364222787
Energy: 1.2324822057608862
Energy: 1.09522364222787
Energy: 1.23248220576164
Energy: 1.0952236422286241
Energy: 1.23248220576164
Energy: 1.2478132621634228
Energy: 1.1523696364526976
Energy: 1.2478132621634228
Energy: 1.1523696364526976
Energy: 1.2478132621641769
Energy: 1.1523696364534517
Energy: 1.2478132621641769
Energy: 1.2353322047877635
Energy: 1.154933503142495
Energy: 1.2353322047870094
Energy: 1.154933503140987
Energy: 1.2353322047877635
Energy: 1.154933503141741
Energy: 1.2353322047885178
Energy: 1.2131071230190222
Energy: 1.1813613626769737
Energy: 1.2131071230190222
Energy: 1.1813613626777275
Energy: 1.2131071230190222
Energy: 1.1813613626769737
Energy: 1.2131071230182684
Energy: 1.234418158022161
Energy: 1.158412966873646
Energy: 1.234418158022161
Energy: 1.1584129668744
Energy: 1.234418158022161
Energy: 1.158412966873646
Energy: 1.234418158022161
Energy: 1.188854821008492
Energy: 1.22809200052073
Energy: 1.1888548210092458
Energy: 1.22809200052073
Energy: 1.188854821008492
Energy: 1.22809200052073
Energy: 1.1888548210092458
Energy: 1.2344020092329864
Energy: 1.0958409967562432
Energy: 1.2344020092329864
Energy: 1.0958409967547351
Energy: 1.2344020092322325
Energy: 1.0958409967562432
Energy: 1.2344020092337407

minimum gb energy = 1.09522364222787 eV
minimum distance =  2.28397772723219 Angstroms
sigma value = 21


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

Energy: 1.1383656478458162
Energy: 1.1244470436025882
Energy: 1.1383656478458162
Energy: 1.1244470436025882
Energy: 1.1383656478467314
Energy: 1.1244470436035037
Energy: 1.1383656478458162
Energy: 1.1053625416304955
Energy: 1.0657213471878153
Energy: 1.10536254168812
Energy: 1.0657213471878153
Energy: 1.105362541603951
Energy: 1.0657213471878153
Energy: 1.105362541793342
Energy: 1.111500423089238
Energy: 1.4950924391254556
Energy: 1.111500423089238
Energy: 1.4950924391227098
Energy: 1.111500423089238
Energy: 1.4950924391227098
Energy: 1.111500423089238
Energy: 1.0411356250626274
Energy: 1.0521608068908075
Energy: 1.041135625061712
Energy: 1.0521608068908075
Energy: 1.0411356250626274
Energy: 1.0521608068908075
Energy: 1.041135625061712
Energy: 1.011253260285591
Energy: 1.0527293021968898
Energy: 1.011253260285591
Energy: 1.0527293021968898
Energy: 1.011253260286506
Energy: 1.0527293021968898
Energy: 1.011253260285591
Energy: 1.0239200420941785
Energy: 1.0935046919959333
Energy: 1.0239200420941785
Energy: 1.0935046919968485
Energy: 1.0239200420941785
Energy: 1.0935046919968485
Energy: 1.0239200420941785
Energy: 0.9693380105100317
Energy: 1.2202369133681517
Energy: 0.969338010510947
Energy: 1.2202369133681517
Energy: 0.9693380105100317
Energy: 1.2202369133690671
Energy: 0.969338010510947
Energy: 0.9861164253793948
Energy: 1.071394799467293
Energy: 0.9861164253793948
Energy: 1.071394799467293
Energy: 0.9861164253803102
Energy: 1.0713947994681876
Energy: 0.9861164253793948
Energy: 1.0416598921503777
Energy: 1.024388918939439
Energy: 1.0416598921503777
Energy: 1.0243889189376083
Energy: 1.0416598921494622
Energy: 1.0243889189385236
Energy: 1.0416598921503777
Energy: 1.0413421431623329
Energy: 1.4284173991246778
Energy: 1.0413421431614174
Energy: 1.4284173991246778
Energy: 1.0413421431623329
Energy: 1.4284173991246778
Energy: 1.0413421431614174
Energy: 0.9695085449303916
Energy: 1.071924188698315
Energy: 0.9695085449303916
Energy: 1.071924188698315
Energy: 0.9695085449313068
Energy: 1.0719241886974
Energy: 0.9695085449303916
Energy: 0.9859312407574845
Energy: 1.076746930282244
Energy: 0.985931240756569
Energy: 1.076746930282244
Energy: 0.9859312407574845
Energy: 1.076746930282244
Energy: 0.9859312407574845
Energy: 1.0416027233606588
Energy: 1.024396882274576
Energy: 1.0416027233615741
Energy: 1.024396882274576
Energy: 1.0416027233606588
Energy: 1.024396882274576
Energy: 1.0416027233606588
Energy: 1.0631179876698693
Energy: 1.2513844761642936
Energy: 1.0631179876689538
Energy: 1.2513844761633783
Energy: 1.0631179876689538
Energy: 1.251384476165209
Energy: 1.0631179876689538
Energy: 1.0890329482292997
Energy: 1.0710864808433551
Energy: 1.0890329637647664
Energy: 1.0710864808433551
Energy: 1.089032950574261
Energy: 1.0710864808442704
Energy: 1.089032948088401
Energy: 1.0908969098545132
Energy: 1.0332170421590205
Energy: 1.0908969098545132
Energy: 1.0332170421590205
Energy: 1.0908969098535979
Energy: 1.0332170421590205
Energy: 1.0908969098545132
Energy: 1.1049619558115138
Energy: 1.0564060447336938
Energy: 1.1049619558115138
Energy: 1.0564060447336938
Energy: 1.1049619558115138
Energy: 1.0564060447336938
Energy: 1.1049619558115138
Energy: 1.0956515735659764
Energy: 1.2513677821496076
Energy: 1.095651573565061
Energy: 1.251367782150523
Energy: 1.0956515735668917
Energy: 1.251367782150523
Energy: 1.095651573565061
Energy: 1.0032769856711645
Energy: 1.0717770152621253
Energy: 1.0032769835979327
Energy: 1.07177701526121
Energy: 1.003276980404852
Energy: 1.0717770152621253
Energy: 1.0032769842448035
Energy: 0.9859038816031873
Energy: 1.0240602593410795
Energy: 0.9859038816031873
Energy: 1.0240602593410795
Energy: 0.9859038816022719
Energy: 1.0240602593410795
Energy: 0.9859038816022719
Energy: 1.0414107494233145
Energy: 1.0252373087668172
Energy: 1.0414107494233145
Energy: 1.0252373228100398
Energy: 1.0414107494233145
Energy: 1.0252375647443708
Energy: 1.0414107494233145
Energy: 0.9695555606015099
Energy: 1.0314482971239838
Energy: 0.9695555606015099
Energy: 1.0314482969958996
Energy: 0.9695555606015099
Energy: 1.0314482967287468
Energy: 0.9695555606015099
Energy: 0.9701184131101488
Energy: 1.071563878928403
Energy: 0.9701184131110642
Energy: 1.071563878928403
Energy: 0.9701184131110642
Energy: 1.0715638789293183
Energy: 0.9701184131110642
Energy: 1.040728813544755
Energy: 1.0238935721021578
Energy: 1.0407288135456705
Energy: 1.0238935721021578
Energy: 1.0407288135456705
Energy: 1.0238935721021578
Energy: 1.0407288135456705
Energy: 1.0417450519644893
Energy: 1.009093255908441
Energy: 1.0417450519644893
Energy: 1.0090932559093562
Energy: 1.0417450519644893
Energy: 1.009093255908441
Energy: 1.0417450519644893

minimum gb energy = 0.9693380105100317 eV
minimum distance =  2.32936150247316 Angstroms
sigma value = 113


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

Energy: 0.991860030817933
Energy: 1.2075662519164088
Energy: 0.9918600308189547
Energy: 1.2075662519153871
Energy: 0.9918600308184439
Energy: 1.20756625191692
Energy: 0.991860030821509
Energy: 0.988340035087721
Energy: 0.9576448893886396
Energy: 0.9883400350810797
Energy: 0.9576448893906828
Energy: 0.9883400350810797
Energy: 0.9576448893891504
Energy: 0.9883400350851667
Energy: 1.00856667558616
Energy: 0.9759233182432829
Energy: 1.0085666755830949
Energy: 0.9759233182453264
Energy: 1.0085666755846274
Energy: 0.9759233182432829
Energy: 1.0085666755815625
Energy: 0.9546103698959695
Energy: 0.9451570417889589
Energy: 0.9546103698985237
Energy: 0.9451570417864048
Energy: 0.9546103698980127
Energy: 0.9451570417879374
Energy: 0.954610369897502
Energy: 0.9252739032401756
Energy: 1.0681575464699369
Energy: 0.9252739032396647
Energy: 1.0681575464709587
Energy: 0.9252739032401756
Energy: 1.0681575464709587
Energy: 0.9252739032396647
Energy: 0.9417332652155249
Energy: 0.9578304133827378
Energy: 0.9417332652134817
Energy: 0.957830413381716
Energy: 0.9417332652155249
Energy: 0.9578304133827378
Energy: 0.9417332652134817
Energy: 0.9313514418866436
Energy: 0.8890848715533602
Energy: 0.9313514418861327
Energy: 0.8890855721677489
Energy: 0.9313514418871545
Energy: 0.8890851100368525
Energy: 0.9313514418866436
Energy: 0.9451476855906644
Energy: 0.9139858703785378
Energy: 0.9451476855921969
Energy: 0.9139858703800703
Energy: 0.9451476856003704
Energy: 0.9139858703795594
Energy: 0.9451476856059898
Energy: 0.9357010224618748
Energy: 1.1105836044894462
Energy: 0.935701022460853
Energy: 1.110583604489957
Energy: 0.9357010224634073
Energy: 1.110583604489957
Energy: 0.935701022461364
Energy: 0.9555234979659294
Energy: 0.9201017143128589
Energy: 0.9555234979654186
Energy: 0.9201017143143914
Energy: 0.9555234979659294
Energy: 0.9201017143113265
Energy: 0.9555234979649077
Energy: 0.8925447472088509
Energy: 0.9038148099937173
Energy: 0.8925447472103836
Energy: 0.9038148099921847
Energy: 0.8925447472093617
Energy: 0.9038148099926955
Energy: 0.8925447472114052
Energy: 0.9305163439521977
Energy: 0.9231397989957759
Energy: 0.9305163439516869
Energy: 0.9231397989962866
Energy: 0.9305163439511761
Energy: 0.9231397989947542
Energy: 0.9305163439521977
Energy: 0.8609979716243803
Energy: 1.0906990186489247
Energy: 0.8609979717030044
Energy: 1.0906990186504573
Energy: 0.8609979716167175
Energy: 1.0906990186489247
Energy: 0.8609979716248911
Energy: 0.9173004415823878
Energy: 0.9208826148116207
Energy: 0.917300441581877
Energy: 0.9208826148136641
Energy: 0.9173004415823878
Energy: 0.9208826148121315
Energy: 0.9173004415808552
Energy: 0.9216809872469209
Energy: 0.8876215124241362
Energy: 0.9216809872453885
Energy: 0.8876215129924312
Energy: 0.9216809872469209
Energy: 0.887621512530857
Energy: 0.9216809872453885
Energy: 0.9163259842972702
Energy: 1.089412483513116
Energy: 0.9163259842972702
Energy: 1.089412483513116
Energy: 0.9163259842962485
Energy: 1.089412483513627
Energy: 0.916325984297781
Energy: 0.8607769260526587
Energy: 0.9113199940991721
Energy: 0.8607769260521477
Energy: 0.9113199941012156
Energy: 0.8607769260521477
Energy: 0.9113199940981503
Energy: 0.8607769260526587
Energy: 0.9197389294049274
Energy: 0.9233361382498866
Energy: 0.9197389294069709
Energy: 0.9233361382457999
Energy: 0.919738929405949
Energy: 0.9233361382432456
Energy: 0.9197389294054382
Energy: 0.9239624110665547
Energy: 0.8873945390036583
Energy: 0.9239624110655331
Energy: 0.8873945388040095
Energy: 0.9239624110670657
Energy: 0.8873945390174511
Energy: 0.9239624110650223
Energy: 0.9233338114996124
Energy: 1.0084482256074578
Energy: 0.9233338114991015
Energy: 1.0084482256100122
Energy: 0.9233338115001233
Energy: 1.0084482256059255
Energy: 0.9233338114980798
Energy: 0.9245712506937938
Energy: 0.9007688219124836
Energy: 0.9245712506917504
Energy: 0.9007688219150377
Energy: 0.9245712506937938
Energy: 0.9007688219124836
Energy: 0.9245712506917504
Energy: 0.9359746002154566
Energy: 0.8833741303285325
Energy: 0.9359746002144349
Energy: 0.8833741358529336
Energy: 0.9359746002154566
Energy: 0.8833745888886491
Energy: 0.9359746002164784
Energy: 0.9249129622744998
Energy: 0.9006564183272784
Energy: 0.9249129622739889
Energy: 0.9006564183288108
Energy: 0.9249129622739889
Energy: 0.9006564183272784
Energy: 0.9249129622744998
Energy: 0.9136695899918047
Energy: 1.0567162683969764
Energy: 0.9136695899902724
Energy: 1.0567162683974873
Energy: 0.9136695899912938
Energy: 1.0567162683974873
Energy: 0.913669589990783
Energy: 1.0195310921153684
Energy: 0.9390499570820398
Energy: 1.0195310921153684
Energy: 0.9390499570815288
Energy: 1.0195310921153684
Energy: 0.9390499570820398
Energy: 1.0195310921148577
Energy: 0.9544328380626875
Energy: 0.9424430872915935
Energy: 0.9544328380279964
Energy: 0.9424430872931262
Energy: 0.954432837998878
Energy: 0.9424430872926154
Energy: 0.9544328380121601
Energy: 0.9930363416421115
Energy: 1.0479273215496423
Energy: 0.9930363416426224
Energy: 1.0479273217109772
Energy: 0.9930363416426224
Energy: 1.0479273216859921
Energy: 0.9930363416416008
Energy: 0.9761715072468675
Energy: 1.1320471763262514
Energy: 0.976171507337241
Energy: 1.1320471781313088
Energy: 0.9761715075808224
Energy: 1.1320471783738222
Energy: 0.976171507244824
Energy: 1.08020458632549
Energy: 0.9533082965240663
Energy: 1.08020458632549
Energy: 0.9533082965240663
Energy: 1.08020458632549
Energy: 0.9533082965240663
Energy: 1.08020458632549
Energy: 0.9603319508245055
Energy: 0.9423962161338113
Energy: 0.9603319508234839
Energy: 0.9423962161338113
Energy: 0.9603319508239947
Energy: 0.9423962161338113
Energy: 0.9603319508219514
Energy: 0.9283256763956349
Energy: 0.9376689271069892
Energy: 0.9283256763966563
Energy: 0.9376689271064783
Energy: 0.9283256763966563
Energy: 0.9376689271085218
Energy: 0.9283256763956349
Energy: 0.9137013646228299
Energy: 1.1277091317264465
Energy: 0.9137013646279383
Energy: 1.1277091317279793
Energy: 0.9137013646228299
Energy: 1.1277091317274686
Energy: 0.9137013646258949
Energy: 1.0089941259742914
Energy: 0.9575083681172649
Energy: 1.0089941259737807
Energy: 0.957508368116754
Energy: 1.0089941259742914
Energy: 0.9575083681162432
Energy: 1.0089941259737807
Energy: 0.9160943642238798
Energy: 0.883103839474308
Energy: 0.9160943642249016
Energy: 0.8831038394727754
Energy: 0.9160943642254125
Energy: 0.8831038394722646
Energy: 0.9160943642238798
Energy: 0.9433349475994305
Energy: 1.01691837780534
Energy: 0.9433349476009631
Energy: 1.0169183778063615
Energy: 0.9433349476004523
Energy: 1.01691837780534
Energy: 0.943334947601474
Energy: 0.9003665884864501
Energy: 1.0817739003151379
Energy: 0.9003665884864501
Energy: 1.0817739003151379
Energy: 0.9003665884864501
Energy: 1.0817739003156488
Energy: 0.9003665884844066
Energy: 1.022246320319967
Energy: 0.9196924596204971
Energy: 1.0222463203220105
Energy: 0.9196924596204971
Energy: 1.022246320319456
Energy: 0.9196924596204971
Energy: 1.0222463203214995
Energy: 0.9059710932738666
Energy: 0.8933143313378089
Energy: 0.9059710932743773
Energy: 0.8933143313408741
Energy: 0.905971093275399
Energy: 0.8933143313413849
Energy: 0.9059710932733557
Energy: 0.9275408792558459
Energy: 0.8992211723484799
Energy: 0.927540879256357
Energy: 0.8992211723495016
Energy: 0.9275408792553351
Energy: 0.8992211723489908
Energy: 0.927540879256357
Energy: 0.87503802797069
Energy: 1.1370615906928068
Energy: 0.8750380279696681
Energy: 1.1370615906912744
Energy: 0.8750380279701792
Energy: 1.137061590692296
Energy: 0.8750380279681356
Energy: 0.9175084207838962
Energy: 0.9194724662486853
Energy: 0.9175084207838962
Energy: 0.9194724662466418
Energy: 0.9175084207849179
Energy: 0.9194724662481745
Energy: 0.917508420784407
Energy: 0.9211095034101398
Energy: 0.890540547770731
Energy: 0.9211095034086071
Energy: 0.8905405477722634
Energy: 0.9211095034096288
Energy: 0.8905405477686875
Energy: 0.9211095034086071
Energy: 0.9179821033820422
Energy: 1.0859854262306856
Energy: 0.9179821033835747
Energy: 1.085985426230175
Energy: 0.9179821033820422
Energy: 1.0859854262311965
Energy: 0.9179821033835747
Energy: 0.8751443369202998
Energy: 0.9001477493919242
Energy: 0.8751443369218325
Energy: 0.9001477493939677
Energy: 0.8751443369202998
Energy: 0.9001477493929461
Energy: 0.8751443369208107
Energy: 0.9173153979691028
Energy: 0.9280757302246782
Energy: 0.9173153979701242
Energy: 0.9280757302236564
Energy: 0.9173153979691028
Energy: 0.9280757302236564
Energy: 0.9173153979701242

minimum gb energy = 0.8607769260521477 eV
minimum distance =  2.30603187486268 Angstroms
sigma value = 365


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

Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 1.7581688815513477
Energy: 1.075246407845915
Energy: 1.7581688815501957
Energy: 1.075246407845915
Energy: 1.7581688815513477
Energy: 1.075246407845915
Energy: 1.7581688815513477
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 2.6251720385427966
Energy: 1.075246407845915
Energy: 2.625171911045478
Energy: 1.075246407845915
Energy: 2.625171973467887
Energy: 1.075246407845915
Energy: 2.6251720635987974
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 1.7581688815524996
Energy: 1.075246407845915
Energy: 1.7581688815513477
Energy: 1.075246407845915
Energy: 1.7581688815501957
Energy: 1.075246407845915
Energy: 1.7581688815536511
Energy: 0.32486973681467324
Energy: 0.337661797094176
Energy: 0.32486973681467324
Energy: 0.337661797094176
Energy: 0.32486973681467324
Energy: 0.337661797094176
Energy: 0.32486973681467324
Energy: 1.9337440983224343
Energy: 1.075246407845915
Energy: 1.9337440983143719
Energy: 1.075246407845915
Energy: 1.9337440983270415
Energy: 1.075246407845915
Energy: 1.9337440983512284
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 1.7581688815524996
Energy: 1.075246407845915
Energy: 1.7581688815490442
Energy: 1.075246407845915
Energy: 1.7581688815524996
Energy: 1.075246407845915
Energy: 1.7581688815478924
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 1.9337440983143719
Energy: 1.075246407845915
Energy: 1.9337440983293448
Energy: 1.075246407845915
Energy: 1.9337440983143719
Energy: 1.075246407845915
Energy: 1.9337440983512284
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 1.9337440983143719
Energy: 1.075246407845915
Energy: 1.9337440983166754
Energy: 1.075246407845915
Energy: 1.9337440983247376
Energy: 1.075246407845915
Energy: 1.9337440983823
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 1.9337440983189786
Energy: 1.075246407845915
Energy: 1.9337440983247376
Energy: 1.075246407845915
Energy: 1.93374409831322
Energy: 1.075246407845915
Energy: 1.93374409831322
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 0.33766179709532773
Energy: 0.32486973681467324
Energy: 1.933744098317827
Energy: 1.075246407845915
Energy: 1.9337440983258896
Energy: 1.075246407845915
Energy: 1.9337440983408622
Energy: 1.075246407845915
Energy: 1.9337440983143719
Energy: 0.32486973681467324
Energy: 0.337661797094176
Energy: 0.32486973681467324
Energy: 0.337661797094176
Energy: 0.32486973681467324
Energy: 0.337661797094176
Energy: 0.32486973681467324
Energy: 1.9337440983212821
Energy: 1.075246407845915
Energy: 1.93374409831322
Energy: 1.075246407845915
Energy: 1.9337440983143719
Energy: 1.075246407845915
Energy: 1.93374409831322

minimum gb energy = 0.32486973681467324 eV
minimum distance =  2.31509775964886 Angstroms
sigma value = 23