Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_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=2.850998885929584
cohesive_energy=4.280334740105136
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: 0.01628585240240377
Energy: 0.1609213649758519
Energy: 0.01628585240240377
Energy: 0.1609213649758519
Energy: 0.01628585240240377
Energy: 0.1609213649758519
Energy: 0.01628585240240377
Energy: 0.01684929801522341
Energy: 0.6994747571200682
Energy: 0.01684929801522341
Energy: 0.6994747571200682
Energy: 0.01684929801522341
Energy: 0.69947475712048
Energy: 0.01684929801522341
Energy: 0.46528543955346036
Energy: 0.5803557518951419
Energy: 0.46528543955346036
Energy: 0.5803557518959424
Energy: 0.46528543955346036
Energy: 0.5803557518955534
Energy: 0.46528543955346036
Energy: 0.01684929801522341
Energy: 0.6994747571200682
Energy: 0.01684929801481173
Energy: 0.6994747571200682
Energy: 0.01684929801481173
Energy: 0.69947475712048
Energy: 0.01684929801481173
Energy: 0.01628585240240377
Energy: 0.16092136497626358
Energy: 0.01628585240240377
Energy: 0.16092136497548595
Energy: 0.01628585240240377
Energy: 0.1609213649758519
Energy: 0.01628585240240377
Energy: 0.01684929801522341
Energy: 0.6994747571200682
Energy: 0.01684929801522341
Energy: 0.6994747571200682
Energy: 0.01684929801481173
Energy: 0.69947475712048
Energy: 0.01684929801481173

minimum gb energy = 0.01628585240240377 eV
minimum distance =  2.46534116977291 Angstroms
sigma value = 5


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

Energy: 1.0908858313945071
Energy: 1.0291296736027102
Energy: 1.0908858313940155
Energy: 1.0291296736027102
Energy: 1.0908858313949987
Energy: 1.0291296736027102
Energy: 1.0908858313945071
Energy: 1.0341881925389023
Energy: 1.0295868665490746
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Energy: 1.0295868665485828
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Energy: 1.0295868665480912
Energy: 1.0341881925389023
Energy: 0.9804151343205223
Energy: 0.975916372347123
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Energy: 1.001239606358185
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Energy: 0.9454457102129438
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Energy: 0.9795356527439932
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Energy: 1.049735998626352
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Energy: 1.0346505096264575
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Energy: 1.0549588417307962
Energy: 1.0737404271484274
Energy: 0.9769673734165599
Energy: 0.9618752595509937
Energy: 0.9769673734170519
Energy: 0.9618752595500102
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Energy: 0.9618752595500102
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Energy: 0.9860373760397283
Energy: 0.9487087108448495
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Energy: 0.9487087108453413
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Energy: 0.9582230367378345
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Energy: 0.9682585049091293
Energy: 0.9848935853141679
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Energy: 0.9682585049115882
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Energy: 1.0752956689040392
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Energy: 1.0202508746403764
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Energy: 0.9402444674686937
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Energy: 0.9402444674686937
Energy: 1.0449181256627373
Energy: 0.9402444674686937
Energy: 1.0449181256622455
Energy: 0.9675864603177686
Energy: 1.0070098711093773
Energy: 0.9675864603182603
Energy: 1.0070098711093773
Energy: 0.9675864603177686
Energy: 1.0070098711093773
Energy: 0.9675864603177686
Energy: 0.9716706856185038
Energy: 0.9728297012705193
Energy: 0.9716706856185038
Energy: 0.9728297012705193
Energy: 0.9716706856185038
Energy: 0.9728297012700274
Energy: 0.9716706856185038
Energy: 0.9453456687032212
Energy: 1.0134458566662168
Energy: 0.9453456687032212
Energy: 1.0134458566662168
Energy: 0.945345668703713
Energy: 1.0134458566662168
Energy: 0.945345668703713
Energy: 0.9452133455112759
Energy: 0.9282014342544125
Energy: 0.9452133455122594
Energy: 0.9282014342539207
Energy: 0.9452133455127513
Energy: 0.9282014342534289
Energy: 0.9452133455122594
Energy: 0.9697933394271402
Energy: 0.9836396313896223
Energy: 0.9697933394271402
Energy: 0.9836396313901141
Energy: 0.9697933394271402
Energy: 0.9836396313901141
Energy: 0.9697933394266485

minimum gb energy = 0.9100798686172494 eV
minimum distance =  2.32258180375787 Angstroms
sigma value = 401


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

Energy: 1.1504510443956533
Energy: 1.0768005201021627
Energy: 1.0927973196496643
Energy: 1.0768005201021627
Energy: 1.1504510443962115
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Energy: 1.0219985623112504
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Energy: 1.0690444144203703
Energy: 1.0530937408240388
Energy: 1.0708389771717794
Energy: 1.0523966290126496
Energy: 1.0705755403768797
Energy: 1.0530937408229224
Energy: 1.0708389771717794
Energy: 1.052396629082934
Energy: 1.0447732606855662
Energy: 1.050768199558987
Energy: 1.0450923127487504
Energy: 1.0507131076632548
Energy: 1.0447732606850075
Energy: 1.050768199558429
Energy: 1.0450923127487504
Energy: 1.0335718896142787
Energy: 1.0753108870217376
Energy: 1.033616508045545
Energy: 1.075310887020063
Energy: 1.0335718896142787
Energy: 1.0753108870211794
Energy: 1.0336165080449868
Energy: 1.0191440788536181
Energy: 1.0859727280366847
Energy: 1.0190202022861647
Energy: 1.0859727280361264
Energy: 1.0191440788530597
Energy: 1.0859727280378013
Energy: 1.019020202278908
Energy: 1.0578051820751098
Energy: 1.0051027766204395
Energy: 1.0578051820756682
Energy: 1.005102776619881
Energy: 1.0578051820751098
Energy: 1.0051027766193228
Energy: 1.0578051820751098
Energy: 1.0217903949996228
Energy: 1.0052506520265359
Energy: 1.0217903949990648
Energy: 1.0052506520259779
Energy: 1.0217903949996228
Energy: 1.0052506520259779
Energy: 1.0217903949996228
Energy: 1.0927973196496643
Energy: 1.0768005201016042
Energy: 1.0927973196496643
Energy: 1.0768005201016042
Energy: 1.0927973196496643
Energy: 1.0768005201021627
Energy: 1.0927973196502223
Energy: 1.0219985623106922
Energy: 1.002464242601208
Energy: 1.0219985623106922
Energy: 1.00343295942222
Energy: 1.0219985623106922
Energy: 1.002464242601208
Energy: 1.0219985623112504

minimum gb energy = 0.9721242810126696 eV
minimum distance =  2.33994129248578 Angstroms
sigma value = 311


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

Energy: 1.0901813269071972
Energy: 1.0681124329977791
Energy: 1.0901813269065526
Energy: 1.0681124329977791
Energy: 1.0901813269071972
Energy: 1.0681124329977791
Energy: 1.0901813269065526
Energy: 0.9764845369665636
Energy: 0.9623900634951144
Energy: 0.9764845369672082
Energy: 0.9623900634951144
Energy: 0.9764845369665636
Energy: 0.9623900634951144
Energy: 0.9764845369665636
Energy: 0.9132337382942637
Energy: 0.9820147198123813
Energy: 0.9132337382942637
Energy: 0.9820147198117368
Energy: 0.9132337382949083
Energy: 0.9820147198123813
Energy: 0.9132337382949083
Energy: 1.1267624770204663
Energy: 1.1097730069214733
Energy: 1.1267624770204663
Energy: 1.1097730069221179
Energy: 1.1267624770204663
Energy: 1.1097730069221179
Energy: 1.1267624770204663
Energy: 1.028898810394642
Energy: 1.0828015651461795
Energy: 1.028898810394642
Energy: 1.0828015651461795
Energy: 1.028898810394642
Energy: 1.0828015651461795
Energy: 1.028898810394642
Energy: 1.0330266021816772
Energy: 1.0992745110349185
Energy: 1.0330266021816772
Energy: 1.099274511034274
Energy: 1.0330266021816772
Energy: 1.099274511034274
Energy: 1.0330266021810326
Energy: 1.0251116463435226
Energy: 1.1227822613441232
Energy: 1.0251116463435226
Energy: 1.1227822613441232
Energy: 1.0251116463435226
Energy: 1.1227822613441232
Energy: 1.0251116463435226
Energy: 1.0558240881556358
Energy: 1.0875858427664318
Energy: 1.0558240881562804
Energy: 1.0875858427664318
Energy: 1.0558240881562804
Energy: 1.0875858427664318
Energy: 1.0558240881556358
Energy: 1.032700136056237
Energy: 1.1021864118567402
Energy: 1.032700136056237
Energy: 1.1021864118567402
Energy: 1.032700136056237
Energy: 1.1021864118567402
Energy: 1.032700136056237
Energy: 0.9971274607462945
Energy: 1.0039994544251547
Energy: 0.9971274607462945
Energy: 1.0039994544251547
Energy: 0.9971274607462945
Energy: 1.0039994544251547
Energy: 0.9971274607462945
Energy: 0.9077069488649259
Energy: 1.0554180718681314
Energy: 0.9077069488649259
Energy: 1.0554180718681314
Energy: 0.9077069488642813
Energy: 1.0554180718681314
Energy: 0.9077069488642813
Energy: 1.1125506808682937
Energy: 1.0834737878706566
Energy: 1.1125506808682937
Energy: 1.0834737878706566
Energy: 1.1125506808682937
Energy: 1.0834737878706566
Energy: 1.1125506808682937
Energy: 1.0570077110632727
Energy: 1.0695345620856478
Energy: 1.0570077110690446
Energy: 1.0695345620856478
Energy: 1.0570077110664957
Energy: 1.0695345620856478
Energy: 1.0570077110652063
Energy: 1.0058323525872082
Energy: 0.9997548284886001
Energy: 1.0058323525872082
Energy: 0.9997548284879555
Energy: 1.0058323525872082
Energy: 0.9997548284879555
Energy: 1.0058323525878528
Energy: 1.0592318045405118
Energy: 1.1031473058450159
Energy: 1.0592318045405118
Energy: 1.1031473058450159
Energy: 1.0592318045405118
Energy: 1.1031473058450159
Energy: 1.0592318045405118
Energy: 1.0975395584714946
Energy: 1.0828346250759906
Energy: 1.0975395584714946
Energy: 1.0828346250759906
Energy: 1.0975395584714946
Energy: 1.0828346250759906
Energy: 1.0975395584714946
Energy: 1.006542731424177
Energy: 0.9353028676119275
Energy: 1.0065427314235327
Energy: 0.9353028676119275
Energy: 1.0065427314235327
Energy: 0.9353028676119275
Energy: 1.0065427314235327
Energy: 0.9038247728136327
Energy: 0.9770168438874948
Energy: 0.9038247728136327
Energy: 0.9770168438874948
Energy: 0.9038247728136327
Energy: 0.9770168438868502
Energy: 0.9038247728129882
Energy: 1.0887518797759026
Energy: 1.0847384452125255
Energy: 1.1430452284510453
Energy: 1.08473844521317
Energy: 1.061940673290843
Energy: 1.0847384452125255
Energy: 1.0619406732921322
Energy: 1.0302681400680795
Energy: 1.0299163695394702
Energy: 1.0302681400680795
Energy: 1.0299163695394702
Energy: 1.0302681400680795
Energy: 1.0299163695388256
Energy: 1.0302681400680795
Energy: 1.0047739080924099
Energy: 1.0065895777643785
Energy: 1.0047739080930544
Energy: 1.0065895777650233
Energy: 1.0047739080930544
Energy: 1.0065895777643785
Energy: 1.0047739080924099
Energy: 1.010216639375872
Energy: 1.1385582229157998
Energy: 1.0102166375125872
Energy: 1.1385582229157998
Energy: 1.0102166394615708
Energy: 1.1385582229157998
Energy: 1.0102166391845218
Energy: 1.0748055085133565
Energy: 1.0469986325797924
Energy: 1.0748055085133565
Energy: 1.046998632580437
Energy: 1.0748055085133565
Energy: 1.0469986325797924
Energy: 1.1257028464443624
Energy: 1.0155412748189763
Energy: 1.0353769267364301
Energy: 1.0155412748189763
Energy: 1.0353769267364301
Energy: 1.0155412748183317
Energy: 1.0353769267364301
Energy: 1.0155412748189763
Energy: 0.990771555778117
Energy: 0.9953084947064935
Energy: 0.990771555778117
Energy: 0.9953084947064935
Energy: 0.990771555778117
Energy: 0.9953084947071382
Energy: 0.990771555778117
Energy: 1.0230043746164732
Energy: 1.1418027875041292
Energy: 1.0230043746171178
Energy: 1.1418027875041292
Energy: 1.0230043746164732
Energy: 1.1418027875041292
Energy: 1.0230043746164732
Energy: 1.0961535007104835
Energy: 1.0814977516221076
Energy: 1.0961535007104835
Energy: 1.0814977516227522
Energy: 1.0961535007104835
Energy: 1.0814977516227522
Energy: 1.1445244453486094
Energy: 1.0449034289596748
Energy: 1.098281787396219
Energy: 1.0449034289596748
Energy: 1.098281787396219
Energy: 1.0449034289596748
Energy: 1.098281787396219
Energy: 1.0449034289596748
Energy: 1.0158156045189592
Energy: 1.0107753553447172
Energy: 1.0158156045183147
Energy: 1.0107753553447172
Energy: 1.0158156045183147
Energy: 1.0107753553447172
Energy: 1.0158156045183147
Energy: 1.0816672072223388
Energy: 1.1026588592326836
Energy: 1.0816672072216942
Energy: 1.1026588592326836
Energy: 1.0816672072216942
Energy: 1.1026588592326836
Energy: 1.0816672072223388
Energy: 1.0174717559635453
Energy: 1.0783368167137224
Energy: 1.0174717559635453
Energy: 1.0783368167137224
Energy: 1.0174717559635453
Energy: 1.0783368167137224
Energy: 1.0778869046670094
Energy: 0.9174629377820547
Energy: 0.9950541139622547
Energy: 0.9174629377820547
Energy: 0.9950541139622547
Energy: 0.9174629377820547
Energy: 0.9950541139622547
Energy: 0.9174629377820547
Energy: 0.9020897396171672
Energy: 0.9107529052905147
Energy: 0.9020897396178118
Energy: 0.9107529052898701
Energy: 0.9020897396171672
Energy: 0.9107529052905147
Energy: 0.9020897396178118
Energy: 1.0810767644823491
Energy: 1.1163437554691076
Energy: 1.0810767644823491
Energy: 1.1163437554691076
Energy: 1.0810767644823491
Energy: 1.116343755468463
Energy: 1.0810767644823491
Energy: 1.055983507059702
Energy: 1.1023022118833439
Energy: 1.055983507059702
Energy: 1.1023022118833439
Energy: 1.055983507059702
Energy: 1.1023022118833439
Energy: 1.055983507059702
Energy: 1.0141754212085308
Energy: 0.9993884043957745
Energy: 1.0141754212085308
Energy: 0.99938840439513
Energy: 1.0141754212085308
Energy: 0.9993884043957745
Energy: 1.0141754212085308

minimum gb energy = 0.9020897396171672 eV
minimum distance =  2.29410213601568 Angstroms
sigma value = 39


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

Energy: 1.0306381273087777
Energy: 1.0919054141871039
Energy: 1.0306381273087777
Energy: 1.0919054141871039
Energy: 1.0306381273087777
Energy: 1.0919054141871039
Energy: 1.0306381273095382
Energy: 1.0663154890600555
Energy: 0.8902602551675984
Energy: 1.0663154890600555
Energy: 0.8902602551683593
Energy: 1.0663154890600555
Energy: 0.8902602551683593
Energy: 1.0663154890600555
Energy: 0.9305226616981845
Energy: 0.9812052306326886
Energy: 0.9305226616981845
Energy: 0.9812052306326886
Energy: 0.9305226616981845
Energy: 0.9812052306326886
Energy: 0.9305226616981845
Energy: 1.1760886254741232
Energy: 0.910886467608017
Energy: 1.1760886254741232
Energy: 0.910886467608017
Energy: 1.1760886254741232
Energy: 0.910886467608017
Energy: 1.176088625474884
Energy: 0.9646958843352172
Energy: 0.8811463588879124
Energy: 0.9646958843352172
Energy: 0.8811463588879124
Energy: 0.9646958843352172
Energy: 0.8811463588879124
Energy: 0.9646958843359781
Energy: 1.0537036986714383
Energy: 1.0024859437693445
Energy: 1.0537036986699169
Energy: 1.0024859437693445
Energy: 1.0537036986699169
Energy: 1.0024859437693445
Energy: 1.0537036986699169
Energy: 1.0649441885652358
Energy: 1.0109017451247013
Energy: 1.1312282698414984
Energy: 1.0109017451247013
Energy: 1.1164694340598462
Energy: 1.0109017451254618
Energy: 0.9805231978422884
Energy: 1.0720701349957187
Energy: 1.002271287417117
Energy: 1.0720701349964796
Energy: 1.0022712873798414
Energy: 1.0720701349957187
Energy: 1.0022712874323314
Energy: 1.0720701349949582
Energy: 1.1224477974977376
Energy: 1.0187723540155618
Energy: 1.1224477974977376
Energy: 1.0187723540148008
Energy: 1.1224477974977376
Energy: 1.0187723540148008
Energy: 1.1224477974977376
Energy: 0.9538601470212131
Energy: 1.0902392283627567
Energy: 0.9538601470204524
Energy: 1.0902392283635172
Energy: 0.9538601470204524
Energy: 1.0902392283619957
Energy: 0.9538601470204524
Energy: 1.1011486127681624
Energy: 1.0451347535174267
Energy: 1.1011486127681624
Energy: 1.0451347535143836
Energy: 0.9817326387687412
Energy: 1.0451347535174267
Energy: 0.9817326387687412
Energy: 0.9306683978829596
Energy: 0.9459020943176777
Energy: 0.9306683978829596
Energy: 0.9459020943176777
Energy: 0.9306683978829596
Energy: 0.9459020943176777
Energy: 0.9306683978829596
Energy: 0.9961669830953143
Energy: 0.9112454724036577
Energy: 0.9961669830953143
Energy: 0.9112454724036577
Energy: 0.9961669830945535
Energy: 0.9112454724036577
Energy: 0.9961669830953143
Energy: 0.9538123091022105
Energy: 0.9470365082984535
Energy: 0.9538123091022105
Energy: 0.9470365082992143
Energy: 0.9538123091029713
Energy: 0.9470365082992143
Energy: 0.9538123091022105
Energy: 1.0394125386198245
Energy: 0.9634612068326893
Energy: 1.0394125386205855
Energy: 0.9634612068326893
Energy: 1.039412538621346
Energy: 0.9634612068326893
Energy: 0.9930196526072649
Energy: 0.957488725916676
Energy: 1.0014803309695144
Energy: 0.957488725916676
Energy: 1.0014803309702751
Energy: 0.957488725916676
Energy: 1.0014803309695144
Energy: 0.957488725916676
Energy: 1.1164849626735485
Energy: 1.0206670540973042
Energy: 1.1164849626735485
Energy: 1.0206670540973042
Energy: 1.1164849626735485
Energy: 1.0206670540973042
Energy: 1.1164849626735485
Energy: 1.0959970027176738
Energy: 1.0295341581495807
Energy: 1.0959970027184347
Energy: 1.0295341581503414
Energy: 1.0959970027184347
Energy: 1.0295341581488202
Energy: 1.0959970027191952
Energy: 1.064854684397381
Energy: 1.0584260974248039
Energy: 1.0648546843958597
Energy: 1.058426097418718
Energy: 1.0816354588376311
Energy: 1.058426097338116
Energy: 1.0552230036911512
Energy: 0.9575817300421925
Energy: 1.075025352954586
Energy: 0.9575817300421925
Energy: 1.075025352954586
Energy: 0.9575817300421925
Energy: 1.075025352954586
Energy: 0.9575817300421925
Energy: 1.0557787684905973
Energy: 0.8912403808161676
Energy: 1.055778768491358
Energy: 0.8912403808154068
Energy: 1.055778768491358
Energy: 0.8912403808161676
Energy: 1.055778768491358
Energy: 0.9297167739434641
Energy: 0.9108892233162118
Energy: 0.9297167739434641
Energy: 0.9108892233162118
Energy: 0.9297167739427031
Energy: 0.9108892233162118
Energy: 0.9297167739419424
Energy: 1.1780033492861148
Energy: 0.9813264901289633
Energy: 1.1780033492861148
Energy: 0.9813264901289633
Energy: 1.1780033492868758
Energy: 0.9813264901289633
Energy: 1.1055372761740674
Energy: 1.066651299570373
Energy: 0.8800034997243797
Energy: 1.066651299570373
Energy: 0.8800034997243797
Energy: 1.066651299570373
Energy: 0.8800034997243797
Energy: 1.066651299570373
Energy: 1.0516416804280257
Energy: 0.9938140734577411
Energy: 1.0516416804287863
Energy: 0.9938140734577411
Energy: 1.051641680426504
Energy: 0.9938140734577411
Energy: 1.051641680427265
Energy: 1.0671754113999778
Energy: 1.0203449716680888
Energy: 1.0671754113999778
Energy: 1.0203449716293267
Energy: 1.0671754113999778
Energy: 1.0203449716665676
Energy: 1.0671754113999778
Energy: 1.0960925828667567
Energy: 1.0647138289609557
Energy: 1.0960925828667567
Energy: 1.0647138289609557
Energy: 1.0960925828667567
Energy: 1.0647138289601952
Energy: 1.0960925828667567
Energy: 1.0667739680881432
Energy: 1.023734979712242
Energy: 1.0667739680881432
Energy: 1.0237349797130024
Energy: 1.0667739680881432
Energy: 1.0237349797130024
Energy: 1.0667739680881432
Energy: 1.0306381273087777
Energy: 1.0919054141871039
Energy: 1.0306381273087777
Energy: 1.0919054141871039
Energy: 1.0306381273095382
Energy: 1.0919054141871039
Energy: 1.0306381273087777
Energy: 1.0663154890600555
Energy: 0.8902602551683593
Energy: 1.0663154890600555
Energy: 0.8902602551675984
Energy: 1.0663154890600555
Energy: 0.8902602551683593
Energy: 1.0663154890600555

minimum gb energy = 0.8800034997243797 eV
minimum distance =  2.31670020800403 Angstroms
sigma value = 21


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

Energy: 0.9407525090759687
Energy: 0.9608422495302525
Energy: 0.9407525090759687
Energy: 0.9608422495302525
Energy: 0.9407525090759687
Energy: 0.960842249529329
Energy: 0.9407525090759687
Energy: 0.9034765181413067
Energy: 0.8700274646086903
Energy: 0.9034765181413067
Energy: 0.8700274646086903
Energy: 0.9034765181422302
Energy: 0.8700274646086903
Energy: 0.9034765181413067
Energy: 0.8689385849431954
Energy: 0.7975480121093789
Energy: 0.8689385849431954
Energy: 0.7975480121093789
Energy: 0.8689385849431954
Energy: 0.7975480121093789
Energy: 0.8689385849441189
Energy: 0.8524826549234105
Energy: 0.8680016616067188
Energy: 0.8524826549234105
Energy: 0.8680016616067188
Energy: 0.852482654924334
Energy: 0.8680016616067188
Energy: 0.8524826549234105
Energy: 0.8076059699658953
Energy: 0.8180477217392305
Energy: 0.8076059699658953
Energy: 0.8180477217392305
Energy: 0.8076059699658953
Energy: 0.8180477217392305
Energy: 0.8076059699658953
Energy: 0.8311147585697477
Energy: 0.8722778128580027
Energy: 0.8311147585697477
Energy: 0.8722778128580027
Energy: 0.8311147585697477
Energy: 0.8722778128580027
Energy: 0.8311147585697477
Energy: 0.7858703809523719
Energy: 1.0318783479061246
Energy: 0.7858703809523719
Energy: 1.0318783479061246
Energy: 0.7858703809523719
Energy: 1.031878347905201
Energy: 0.7858703809523719
Energy: 0.7842646473725032
Energy: 0.8850300262839677
Energy: 0.7842646473725032
Energy: 0.8850300262839677
Energy: 0.7842646473725032
Energy: 0.8850300262839677
Energy: 0.7842646473725032
Energy: 0.8515154207626302
Energy: 0.8258257451905552
Energy: 0.8515154207626302
Energy: 0.8258257451905552
Energy: 0.8515154207626302
Energy: 0.8258257451905552
Energy: 0.8515154207626302
Energy: 0.8493835355133493
Energy: 1.0322177899091565
Energy: 0.8493835355133493
Energy: 1.0322177899082332
Energy: 0.8493835355133493
Energy: 1.0322177899082332
Energy: 0.8493835355133493
Energy: 0.7865571895319767
Energy: 0.8814542731422021
Energy: 0.7865571895319767
Energy: 0.8814542731422021
Energy: 0.7865571895319767
Energy: 0.8814542731422021
Energy: 0.7865571895319767
Energy: 0.7843382263373571
Energy: 0.869256371380426
Energy: 0.7843382263373571
Energy: 0.869256371380426
Energy: 0.7843382263373571
Energy: 0.869256371380426
Energy: 0.7843382263373571
Energy: 0.8819087646330911
Energy: 0.8256491950170731
Energy: 0.8819087646339935
Energy: 0.8256491950170731
Energy: 0.8819087646339935
Energy: 0.8256491950170731
Energy: 0.8819087646339935
Energy: 0.8085036050893745
Energy: 1.2528569271753633
Energy: 0.8085036050902981
Energy: 1.2528569271753633
Energy: 0.8085036050902981
Energy: 1.2528569271753633
Energy: 0.8085036050902981
Energy: 0.8974283644129925
Energy: 0.8770726796894801
Energy: 0.8974283644129925
Energy: 0.8770726796894801
Energy: 0.8974283644129925
Energy: 0.8770726796894801
Energy: 0.8974283644129925
Energy: 0.8856663337275068
Energy: 0.8629853099499536
Energy: 0.8856663337275068
Energy: 0.8629853099499536
Energy: 0.8856663337275068
Energy: 0.862985309950877
Energy: 0.8856663337275068
Energy: 0.926970294328091
Energy: 0.8623065537965923
Energy: 0.926970294328091
Energy: 0.8623065537965923
Energy: 0.926970294328091
Energy: 0.8623065537956689
Energy: 0.926970294328091
Energy: 0.8884981869014651
Energy: 1.252712409343098
Energy: 0.8884981869014651
Energy: 1.252712409343098
Energy: 0.8884981869014651
Energy: 1.252712409343098
Energy: 0.8884981869014651
Energy: 0.8085928463755304
Energy: 0.8769357864633144
Energy: 0.8085928463764538
Energy: 0.8769357864633144
Energy: 0.8085928463764538
Energy: 0.8769357864633144
Energy: 0.8085928463755304
Energy: 0.7840125192838462
Energy: 0.8176418509950028
Energy: 0.7840125192838462
Energy: 0.8176418509950028
Energy: 0.7840125192838462
Energy: 0.8176418509950028
Energy: 0.7840125192838462
Energy: 0.8447162771489073
Energy: 0.9089963725782652
Energy: 0.8447162771489073
Energy: 0.9089963725782652
Energy: 0.8447162771489073
Energy: 0.9089963725782652
Energy: 0.8447162771489073
Energy: 0.7870138774880827
Energy: 0.9610846411876918
Energy: 0.7870138774880827
Energy: 0.9610846411876918
Energy: 0.7870138774880827
Energy: 0.9610846411876918
Energy: 0.7870138774880827
Energy: 0.8246617063478305
Energy: 0.8821674950976285
Energy: 0.8246617063487541
Energy: 0.8821674950976285
Energy: 0.8246617063487541
Energy: 0.8821674950985521
Energy: 0.8246617063487541
Energy: 0.8339925341609629
Energy: 0.8180699423413396
Energy: 0.8339925341609629
Energy: 0.8180699423413396
Energy: 0.8339925341609629
Energy: 0.8180699423413396
Energy: 0.8339925341609629
Energy: 0.8416881958141542
Energy: 0.8842164924191143
Energy: 0.8416881958141542
Energy: 0.8842164924191143
Energy: 0.8416881958141542
Energy: 0.8842164924191143
Energy: 0.8416881958132306

minimum gb energy = 0.7840125192838462 eV
minimum distance =  2.34001471783439 Angstroms
sigma value = 113


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

Energy: 0.8209180208633609
Energy: 1.0383039713021955
Energy: 0.8209180208628456
Energy: 1.038303971302711
Energy: 0.8209180208633609
Energy: 1.0383039713021955
Energy: 0.8209180208628456
Energy: 0.8365914159162918
Energy: 0.7828383700874129
Energy: 0.8365914159162918
Energy: 0.7828383700879282
Energy: 0.8365914159168073
Energy: 0.7828383700879282
Energy: 0.8365914159162918
Energy: 0.8557872155662071
Energy: 0.776516487843849
Energy: 0.8557872155662071
Energy: 0.776516487843849
Energy: 0.8557872155662071
Energy: 0.776516487843849
Energy: 0.8557872155662071
Energy: 0.7698647961466384
Energy: 0.7704923897809522
Energy: 0.7698647961461229
Energy: 0.7704923897814676
Energy: 0.7698647961461229
Energy: 0.7704923897814676
Energy: 0.7698647961461229
Energy: 0.7533746386163731
Energy: 0.9635862231103084
Energy: 0.7533746386158576
Energy: 0.963586223110824
Energy: 0.7533746386174037
Energy: 0.9635862231103084
Energy: 0.7533746386158576
Energy: 0.8048112057881123
Energy: 0.7729155840287162
Energy: 0.8048112057886276
Energy: 0.7729155840287162
Energy: 0.8048112057886276
Energy: 0.7729155840292316
Energy: 0.8048112057886276
Energy: 0.7665219076073588
Energy: 0.7131074952831455
Energy: 0.7665219076078743
Energy: 0.7131074952831455
Energy: 0.7665219076073588
Energy: 0.7131074952831455
Energy: 0.7665219076068435
Energy: 0.7925844865583571
Energy: 0.714213415486503
Energy: 0.7925844865583571
Energy: 0.7142134154859876
Energy: 0.7925844865578419
Energy: 0.7142134154870184
Energy: 0.7925844865588726
Energy: 0.7451959764206336
Energy: 0.9085924458311657
Energy: 0.7451959764216646
Energy: 0.9085924458296195
Energy: 0.745195976419603
Energy: 0.9085924458301349
Energy: 0.745195976419603
Energy: 0.8340280427418927
Energy: 0.7313235263888187
Energy: 0.8340280427418927
Energy: 0.7313235263893342
Energy: 0.834028042742408
Energy: 0.7313235263893342
Energy: 0.834028042742408
Energy: 0.7290364313539565
Energy: 0.6974175964776087
Energy: 0.7290364313539565
Energy: 0.6974175964776087
Energy: 0.7290364313534411
Energy: 0.6974175964776087
Energy: 0.7290364313534411
Energy: 0.7480919793077445
Energy: 0.7882537171808711
Energy: 0.7480919793077445
Energy: 0.7882537171808711
Energy: 0.74809197930826
Energy: 0.7882537171803556
Energy: 0.7480919793077445
Energy: 0.7032249216221809
Energy: 0.9225428797837716
Energy: 0.7032249216226962
Energy: 0.9225428797832563
Energy: 0.7032249216232116
Energy: 0.9225428797837716
Energy: 0.7032249216226962
Energy: 0.7548528162849327
Energy: 0.7312433286864901
Energy: 0.7548528162854481
Energy: 0.7312433286870056
Energy: 0.7548528162854481
Energy: 0.7312433286864901
Energy: 0.7548528162854481
Energy: 0.7844756862147121
Energy: 0.6953940997900477
Energy: 0.7844756862141967
Energy: 0.6953940997900477
Energy: 0.7844756862147121
Energy: 0.6953940997900477
Energy: 0.7844756862141967
Energy: 0.7278290588559787
Energy: 0.9226212299927876
Energy: 0.7278290588559787
Energy: 0.9226212299927876
Energy: 0.7278290588559787
Energy: 0.9226212299927876
Energy: 0.7278290588559787
Energy: 0.7098565551615205
Energy: 0.7179467292473828
Energy: 0.7098565551615205
Energy: 0.7179467292468673
Energy: 0.7098565551615205
Energy: 0.7179467292473828
Energy: 0.7098565551615205
Energy: 0.7356475340758333
Energy: 0.7369942926007591
Energy: 0.7356475340758333
Energy: 0.7369942926002437
Energy: 0.735647534075318
Energy: 0.7369942926007591
Energy: 0.7356475340758333
Energy: 0.7678050741740619
Energy: 0.6956759233789893
Energy: 0.7678050741740619
Energy: 0.6956759233789893
Energy: 0.7678050741740619
Energy: 0.6956759233784738
Energy: 0.7678050741740619
Energy: 0.7352168478928731
Energy: 0.9162265074792328
Energy: 0.7352168478949348
Energy: 0.9162265074792328
Energy: 0.735216847893904
Energy: 0.9162265074787173
Energy: 0.7352168478949348
Energy: 0.7531655843844746
Energy: 0.7095874975145021
Energy: 0.7531655843839592
Energy: 0.7095874975145021
Energy: 0.7531655843839592
Energy: 0.7095874975145021
Energy: 0.7531655843855053
Energy: 0.7605361367624607
Energy: 0.6946478174328673
Energy: 0.7605361367624607
Energy: 0.6946478174328673
Energy: 0.7605361367619453
Energy: 0.6946478174328673
Energy: 0.7605361367624607
Energy: 0.7684921697475577
Energy: 0.7444989584836649
Energy: 0.7684921697475577
Energy: 0.7444989584821188
Energy: 0.7684921697475577
Energy: 0.7444989584831494
Energy: 0.7684921697475577
Energy: 0.751911401933543
Energy: 0.9628231004815602
Energy: 0.7519114019330276
Energy: 0.9628231004815602
Energy: 0.751911401933543
Energy: 0.9628231004815602
Energy: 0.7519114019330276
Energy: 0.8477831751362405
Energy: 0.7721906930192758
Energy: 0.8477831751362405
Energy: 0.7721906930197912
Energy: 0.8477831751362405
Energy: 0.7721906930192758
Energy: 0.8477831751362405
Energy: 0.8371896818441483
Energy: 0.7633515974128233
Energy: 0.8371896818436328
Energy: 0.763351597413854
Energy: 0.8371896818441483
Energy: 0.7633515974133387
Energy: 0.8371896818441483
Energy: 0.8326294101513304
Energy: 0.8815417404075658
Energy: 0.8326294101513304
Energy: 0.8815417404085966
Energy: 0.8326294101513304
Energy: 0.8815417404080812
Energy: 0.8326294101513304
Energy: 0.8107845335163064
Energy: 0.8697791578506753
Energy: 0.8107845335173371
Energy: 0.86977915785016
Energy: 0.8107845335163064
Energy: 0.86977915785016
Energy: 0.810784533515791
Energy: 0.8173606941136744
Energy: 0.7685270282622417
Energy: 0.8173606941141898
Energy: 0.7685270282627571
Energy: 0.8173606941141898
Energy: 0.7685270282622417
Energy: 0.8173606941147051
Energy: 0.8407184880934239
Energy: 0.7633280657183177
Energy: 0.8407184880939391
Energy: 0.763328065718833
Energy: 0.8407184880929084
Energy: 0.7633280657183177
Energy: 0.8407184880934239
Energy: 0.7855631920436702
Energy: 0.7746512351762628
Energy: 0.7855631920436702
Energy: 0.7746512351752322
Energy: 0.7855631920436702
Energy: 0.7746512351747167
Energy: 0.785563192043155
Energy: 0.7524965135152638
Energy: 0.9411921411583749
Energy: 0.7524965135147486
Energy: 0.9411921411583749
Energy: 0.7524965135142331
Energy: 0.9411921411583749
Energy: 0.7524965135137176
Energy: 0.7483920393813229
Energy: 0.7818631614320681
Energy: 0.7483920393813229
Energy: 0.7818631614336143
Energy: 0.7483920393823538
Energy: 0.7818631614330989
Energy: 0.7483920393808077
Energy: 0.7462516409565066
Energy: 0.6937430520978743
Energy: 0.7462516409580527
Energy: 0.6937430520978743
Energy: 0.7462516409554757
Energy: 0.6937430520973591
Energy: 0.746251640957022
Energy: 0.7774259955147111
Energy: 0.7545142472279694
Energy: 0.7774259955141958
Energy: 0.7545142472269387
Energy: 0.7774259955147111
Energy: 0.7545142472274541
Energy: 0.7774259955152265
Energy: 0.7453573500980769
Energy: 0.8888937787524676
Energy: 0.7453573500975615
Energy: 0.8888937787524676
Energy: 0.7453573500970462
Energy: 0.888893778752983
Energy: 0.7453573500975615
Energy: 0.739016377430179
Energy: 0.7377418588819323
Energy: 0.739016377430179
Energy: 0.737741858881417
Energy: 0.7390163774312098
Energy: 0.7377418588819323
Energy: 0.739016377430179
Energy: 0.7227906742031812
Energy: 0.7018829922431722
Energy: 0.7227906742036966
Energy: 0.7018829922431722
Energy: 0.7227906742031812
Energy: 0.701882992244203
Energy: 0.7227906742036966
Energy: 0.7489077370868604
Energy: 0.724082472074856
Energy: 0.7489077370873758
Energy: 0.724082472074856
Energy: 0.7489077370873758
Energy: 0.724082472074856
Energy: 0.7489077370873758
Energy: 0.73201725993728
Energy: 0.9202786981934876
Energy: 0.73201725993728
Energy: 0.9202786981950339
Energy: 0.7320172599367646
Energy: 0.9202786981950339
Energy: 0.73201725993728
Energy: 0.7354836723432668
Energy: 0.7386340892602068
Energy: 0.7354836723427512
Energy: 0.7386340892607223
Energy: 0.7354836723427512
Energy: 0.7386340892602068
Energy: 0.7354836723427512
Energy: 0.7440949288055367
Energy: 0.6994850034910686
Energy: 0.7440949288050214
Energy: 0.6994850034905532
Energy: 0.7440949288050214
Energy: 0.6994850034910686
Energy: 0.7440949288055367
Energy: 0.7263517808068795
Energy: 0.9115992246867772
Energy: 0.7263517808053332
Energy: 0.9115992246867772
Energy: 0.7263517808053332
Energy: 0.9115992246862618
Energy: 0.7263517808063641
Energy: 0.7222886169081651
Energy: 0.7137352494383903
Energy: 0.7222886169081651
Energy: 0.7137352494378748
Energy: 0.7222886169086805
Energy: 0.7137352494378748
Energy: 0.7222886169086805
Energy: 0.7352918153265958
Energy: 0.7363366463837613
Energy: 0.7352918153271113
Energy: 0.7363366463837613
Energy: 0.7352918153265958
Energy: 0.7363366463837613
Energy: 0.7352918153265958

minimum gb energy = 0.6937430520973591 eV
minimum distance =  2.33396656901423 Angstroms
sigma value = 365


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

Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 2.3318693566762096
Energy: 0.8478474385368685
Energy: 2.112789120072783
Energy: 0.8478474385368685
Energy: 1.6380815525274606
Energy: 0.8478474385380305
Energy: 1.6380814577928076
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 2.068979451236065
Energy: 0.8478474385380305
Energy: 2.068979451234903
Energy: 0.8478474385380305
Energy: 2.112789120072783
Energy: 0.8478474385368685
Energy: 1.638081543691879
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.6380817011384863
Energy: 0.8478474385368685
Energy: 1.6380818070735392
Energy: 0.8478474385368685
Energy: 1.6380820689301268
Energy: 0.8478474385368685
Energy: 1.6380816445964392
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.6380814613737325
Energy: 0.8478474385380305
Energy: 1.6380814569495503
Energy: 0.8478474385380305
Energy: 1.6380815315007509
Energy: 0.8478474385380305
Energy: 1.6380814677271593
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.5529131663585314
Energy: 0.8478474385368685
Energy: 1.5529131663608555
Energy: 0.8478474385368685
Energy: 1.8757536908708283
Energy: 0.8478474385368685
Energy: 1.6380816014233335
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.638081721927114
Energy: 0.8478474385368685
Energy: 1.6380817689204152
Energy: 0.8478474385368685
Energy: 1.6380816664443543
Energy: 0.8478474385380305
Energy: 1.6380816355204508
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.638081468852655
Energy: 0.8478474385380305
Energy: 1.6380814723325374
Energy: 0.8478474385380305
Energy: 1.6380815433062728
Energy: 0.8478474385380305
Energy: 1.6380815345287916
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.6380815178205468
Energy: 0.8478474385368685
Energy: 1.6380817389663767
Energy: 0.8478474385368685
Energy: 1.6380815693541795
Energy: 0.8478474385368685
Energy: 1.6380816403952856
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.6380816821444144
Energy: 0.8478474385380305
Energy: 1.638081653421563
Energy: 0.8478474385380305
Energy: 1.638081635734157
Energy: 0.8478474385380305
Energy: 1.6380816710950246
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 0.2772113501621698
Energy: 0.2655277921547339
Energy: 1.6380814803352939
Energy: 0.8478474385368685
Energy: 1.6380815196685028
Energy: 0.8478474385380305
Energy: 1.6380814843703577
Energy: 0.8478474385380305
Energy: 1.6380815271880698

minimum gb energy = 0.2655277921547339 eV
minimum distance =  2.32088209075608 Angstroms
sigma value = 23