Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890356361865998
cohesive_energy=3.9103032749768927
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43053399731068e-19, 2.8851035519091596e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.09479352198928e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.258294193600079e-19, 6.264510638939999e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.93023250602224e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8666916346066994e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18, -3.64459936349052e-18, -5.125090682138219e-18, -7.3104916544469e-18, -1.0682993360185199e-17]
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: 0.015949257033768486
Energy: 0.016753873957064486
Energy: 0.3371630053734695
Energy: 0.7683734125823342
Energy: 0.7650440298891599
Energy: 0.277276322269922
Energy: 0.017152285887908954
Energy: 0.01656743475555518
Energy: 0.6343830298875981
Energy: 0.21753245518313766
Energy: 0.336665649859455
Energy: 0.5794683617355094
Energy: 0.016679600402747102
Energy: 0.0945172809623011
Energy: 0.016646858744673667
Energy: 0.6349935609098784
Energy: 0.23631184787505005
Energy: 0.33683239451082037
Energy: 0.6359722932811473
Energy: 0.09288103745781608
Energy: 0.0944065760714831
Energy: 0.018440453087914716
Energy: 0.5812623891635671
Energy: 0.3384658429444832
Energy: 0.7702176701869751
Energy: 0.7675421296083537
Energy: 0.09328703950733613
Energy: 0.016717660641092796
Energy: 0.09313619474979688
Energy: 0.7688628842336569
Energy: 0.21721967560108232
Energy: 0.3367201827080577
Energy: 0.5799715538429627
Energy: 0.017313179199045837
Energy: 0.09389860070365397
Energy: 0.016299001820803672
Energy: 0.6350571809020612
Energy: 0.3436881916164601
Energy: 0.3373442658542703
Energy: 0.6430887149310468
Energy: 0.09276142123286475
Energy: 0.09398720135454369

minimum gb energy = 0.015949257033768486 eV
minimum distance =  2.72760420283409 Angstroms
sigma value = 5


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

Energy: 1.0665897082834188
Energy: 0.9241924202409126
Energy: 1.0860986691086993
Energy: 0.9958467485030098
Energy: 1.0333341052532652
Energy: 1.0083327400434854
Energy: 0.9237935493736918
Energy: 0.9313231890134057
Energy: 1.0151521158005288
Energy: 0.9246732858377019
Energy: 0.982726721856563
Energy: 0.9733381101935461
Energy: 0.9329575448278558
Energy: 1.0051581978529498
Energy: 0.9265751982561489
Energy: 1.0176107590491357
Energy: 1.0083505715865648
Energy: 0.9676546033249281
Energy: 0.9829736534217003
Energy: 1.0152320354481308
Energy: 1.0258597176574102
Energy: 0.9378242227907871
Energy: 1.0051861330335619
Energy: 0.9399301154461441
Energy: 0.9537803573512832
Energy: 0.9853833391360498
Energy: 0.9302732780590068
Energy: 0.9810459409204303
Energy: 1.0735838616571822
Energy: 0.9821260856192467
Energy: 1.0136550706133536
Energy: 0.9623644309519654
Energy: 1.0087538587961054
Energy: 1.0448232186354023
Energy: 0.9826925647297743
Energy: 0.9716351037265896
Energy: 0.9938546947399052
Energy: 0.934053577455136
Energy: 0.9336587436489698
Energy: 0.9556484311496245
Energy: 0.9697488229421682
Energy: 0.9718088543967983
Energy: 0.9238992095239291
Energy: 1.0239301812644028
Energy: 1.0543066198428361
Energy: 1.0230292876197926
Energy: 0.9759707027298742
Energy: 1.054236012124332
Energy: 1.0170151136453411
Energy: 0.9739117609676434
Energy: 0.973889302252547
Energy: 1.0078601738654533
Energy: 1.019496860141243
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Energy: 0.9301579218206587
Energy: 0.9844102936156978
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Energy: 0.9398421490180974
Energy: 0.9673672986978871
Energy: 1.028632116243224
Energy: 0.9806243930208441
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Energy: 0.9817997165426656
Energy: 0.9858697401182234
Energy: 1.0166307503332048
Energy: 0.9211572222589057
Energy: 0.9545772696526563
Energy: 0.972811978073092
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Energy: 1.0341381354109516
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Energy: 0.9825950248456738
Energy: 0.9577449832114683
Energy: 0.9631711800359829
Energy: 1.0338686056846496
Energy: 1.046828009325527
Energy: 1.0104737299591513
Energy: 1.0322414100202713
Energy: 1.0393459746053106
Energy: 1.0492593033403097
Energy: 1.0552877522951356
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Energy: 0.9475566621289303
Energy: 0.9449385941156492
Energy: 0.9629176607883762
Energy: 1.0237790612286994
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Energy: 0.964409768598838
Energy: 0.9411219358186875
Energy: 1.0064188212972216
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Energy: 1.0165895757293864
Energy: 0.9780967324797545
Energy: 0.9846046275122614
Energy: 0.9844479609099243
Energy: 0.9886203156069495
Energy: 0.9531830192489096
Energy: 0.9518264952955147
Energy: 0.983745596242743
Energy: 1.0069219186284555
Energy: 0.9713739172062161
Energy: 1.0040177138884363
Energy: 0.9303880889560481
Energy: 0.9611282281758029
Energy: 1.000415144564652
Energy: 1.0141550495549723
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Energy: 1.1120633628071084
Energy: 1.0322813459392042
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Energy: 0.9866041762231973
Energy: 0.9300374080594007
Energy: 0.9586512570345033
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Energy: 0.9925875143508789
Energy: 0.970278062983985
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Energy: 0.9371780428854907
Energy: 0.9957825099126807
Energy: 0.9853344992692825
Energy: 0.991379443021075
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Energy: 1.020604640648121
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Energy: 1.0279896250608602
Energy: 0.9959768584595349
Energy: 0.9542107836797726
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Energy: 0.9222511957505142
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Energy: 0.9794277560450412
Energy: 1.088207554929605
Energy: 1.0095199734866556
Energy: 1.0306484662527335
Energy: 1.0069198164026179
Energy: 0.9836405921185141
Energy: 0.927754642846319
Energy: 0.923370655629887
Energy: 0.9404422496685456
Energy: 0.9257007403564046
Energy: 0.9404431272219418
Energy: 0.9591644651325185
Energy: 0.9649415676898677
Energy: 0.9728986211985803
Energy: 1.0082541564161784
Energy: 0.9890753591055997
Energy: 0.9680001589043441
Energy: 0.9752730045091318
Energy: 1.063731153123689
Energy: 0.9890336285164699
Energy: 0.927380834461106
Energy: 1.0207046235124253
Energy: 0.9378292318649379
Energy: 0.9745094821652012
Energy: 0.9561110087033713
Energy: 0.9309869451678874
Energy: 0.9931223421648645
Energy: 0.968065566937658
Energy: 0.976545077933264
Energy: 1.0143613969204621
Energy: 0.9625019901259355
Energy: 0.9501967767378005
Energy: 1.0073199399425825
Energy: 0.9814192733887119
Energy: 0.9672360416480545
Energy: 0.9907242337836359
Energy: 1.01469140360072
Energy: 0.9337202961181245
Energy: 0.950615734611224
Energy: 0.9713109890230842
Energy: 0.9713474056498708
Energy: 0.938111931400969
Energy: 1.0264050869646082
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Energy: 0.9570012217165067
Energy: 0.9783661345250614
Energy: 0.9409321455610413
Energy: 1.0248951357489458
Energy: 0.991228024626325
Energy: 1.0064835854467953
Energy: 1.0000345478508639
Energy: 1.009046254891753
Energy: 0.9286679199556421
Energy: 0.955402861570729
Energy: 0.963067804910629
Energy: 0.9439294620040576
Energy: 0.9878656265329228
Energy: 0.9731074770090871
Energy: 0.9735954193863078
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Energy: 0.952155724231186
Energy: 0.9445648526630201
Energy: 0.9706498607129938
Energy: 1.0516502946905395
Energy: 1.0208642393310725
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Energy: 1.0265752844614402
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Energy: 0.9513954205288059
Energy: 0.9748625719938575
Energy: 0.9229004408028813
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Energy: 0.9415215760382313
Energy: 0.959241248173598
Energy: 1.0115211585288388
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Energy: 1.0139676897894718
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Energy: 0.9355830324255608
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Energy: 1.058113583848249
Energy: 1.032754505316203
Energy: 0.9641503160768897
Energy: 0.9534440118557349
Energy: 0.9421642883869225
Energy: 0.9477018825451097
Energy: 0.9407926719120742
Energy: 0.9936328176341197
Energy: 0.9793627044921218
Energy: 0.9707309540128456
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Energy: 0.9710539676878389
Energy: 1.0159165690396568
Energy: 1.0640554147023469
Energy: 0.9468870430747498
Energy: 1.0034097303933842
Energy: 1.0459058358327247
Energy: 0.9621455170939504
Energy: 0.9869019611330416
Energy: 0.9350441933375941
Energy: 0.9928484740688975
Energy: 0.9869216732324804
Energy: 1.0071930430212572
Energy: 0.9701547686492954
Energy: 0.9869812930771981
Energy: 0.9283783107021613
Energy: 1.0013234191404954
Energy: 1.0069312527394978
Energy: 1.031561896697495
Energy: 0.9514325232041101
Energy: 1.0714859129644483
Energy: 0.9790012898859232
Energy: 0.9333313714493763
Energy: 0.9863050185875473
Energy: 0.9219876411785738
Energy: 0.9295629640296242
Energy: 0.9659284925112168
Energy: 0.9438353547903272
Energy: 0.9923607862612462
Energy: 1.069547285784805
Energy: 0.935247769661232
Energy: 1.0206517020756471
Energy: 1.0270192761608592
Energy: 1.0206221795855417
Energy: 0.9919187668533911
Energy: 0.9988476743597704
Energy: 0.9506993356933726
Energy: 1.045536348267647
Energy: 0.9254927931615266
Energy: 0.9992684436805233
Energy: 0.976041002420704
Energy: 0.9632624461128423
Energy: 0.992453211721678
Energy: 0.9264501558374557
Energy: 1.0411584396460223
Energy: 1.0327807206836577
Energy: 1.0257584292956858
Energy: 0.9904657628473242
Energy: 0.9657827105288251
Energy: 0.9991490364226985
Energy: 0.9575392345275496
Energy: 0.9263915365473673
Energy: 0.9282206234423127
Energy: 0.9624806943871035
Energy: 0.9424527898131144
Energy: 0.925997938250254
Energy: 0.9310603853064336
Energy: 0.9991126039432555
Energy: 1.015803628117876
Energy: 1.034842854605184
Energy: 0.9867081952757972
Energy: 1.0202542687225915
Energy: 1.0080449927401605
Energy: 0.9216535475496155

minimum gb energy = 0.9211572222589057 eV
minimum distance =  2.47403294641254 Angstroms
sigma value = 401


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

Energy: 1.1215213370430508
Energy: 0.9466113907622942
Energy: 0.9718500166744053
Energy: 0.9584404753635585
Energy: 0.9784588193920287
Energy: 0.9937402945322298
Energy: 0.9445271192755113
Energy: 0.9471555370020829
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Energy: 0.9402439115622105
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Energy: 0.9577356961330785
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Energy: 0.9552341388430796
Energy: 1.003112744693778
Energy: 1.0477951467134632
Energy: 1.0157630705424927
Energy: 1.0651094847773828
Energy: 0.9922102019224565
Energy: 0.9445067143669202
Energy: 0.9376003284237266
Energy: 0.9708944930399739
Energy: 0.9624822954518658
Energy: 0.9924093481742571
Energy: 1.0517478173428338
Energy: 0.9705516470241848
Energy: 0.9381960614061244
Energy: 0.9568838438416396
Energy: 0.9358267080367287
Energy: 0.9291151343585039
Energy: 1.028444938648713
Energy: 1.0613774686157689
Energy: 1.0032253959475788
Energy: 0.9517647389255429
Energy: 0.9565030745687899
Energy: 0.9568613325002355
Energy: 0.9578782273046705
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Energy: 1.0099578615405105
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Energy: 0.9536733142338691
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Energy: 0.987849540904241
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Energy: 0.9942139152805759
Energy: 0.9480462818183268
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Energy: 0.9511788193693999
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Energy: 0.9421052518431803
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Energy: 0.9837472711839483
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Energy: 0.9386126173564905
Energy: 0.9409500739709371
Energy: 0.9714901454987088
Energy: 0.9423555722135164
Energy: 0.9424194826952449
Energy: 0.9557765608531709
Energy: 0.9821695446251408
Energy: 0.9501312632490253
Energy: 0.9849227123677657
Energy: 0.968487939711145
Energy: 0.9511857061642051
Energy: 0.9477232682580241
Energy: 0.9859319384312848
Energy: 0.9634642855715803
Energy: 0.987259613648136
Energy: 0.9290140539917962
Energy: 1.0185263230519008
Energy: 0.9475369235828794
Energy: 0.9529324724782915
Energy: 1.0023312672919806
Energy: 0.9632374679115053
Energy: 0.9500577726362279
Energy: 0.9660962078675123
Energy: 1.0010163974971185
Energy: 1.0497724219896116
Energy: 1.073265972869577
Energy: 1.0119394533661392
Energy: 0.9551469073658749
Energy: 0.9416536749172243
Energy: 0.9391171816148712
Energy: 0.9862099846951586
Energy: 1.0127822540966926
Energy: 1.0604769179641882
Energy: 0.9770405155446975
Energy: 0.945351451459807
Energy: 0.9478214894360429
Energy: 0.9306166799369411
Energy: 0.9462637727061022
Energy: 1.0338346427474776
Energy: 1.010586167908653
Energy: 0.9562907219853293
Energy: 0.944203571565921
Energy: 0.9428205654270155
Energy: 0.9279772380049036
Energy: 0.9623947277787288
Energy: 1.0411444580776765
Energy: 1.0665760738858057
Energy: 0.9919933795317317
Energy: 0.9456845170542768
Energy: 0.9374863286105241
Energy: 0.9410594784192045
Energy: 1.0018751665342485
Energy: 1.0140678098679932
Energy: 0.9424334424469533
Energy: 0.9793083130452188
Energy: 0.9621297201727801
Energy: 0.9440679375745914
Energy: 0.9481344573950866
Energy: 1.0558597830122676
Energy: 1.001299873948134
Energy: 0.9544226048173898
Energy: 0.9901968303233016
Energy: 0.9616804671214568
Energy: 0.9867272802133685
Energy: 0.9339350064379918
Energy: 0.9401737134585778
Energy: 0.9394300146033617
Energy: 0.9413162613849735
Energy: 0.9422388630071532
Energy: 0.9728418893295897
Energy: 0.9522887645278949
Energy: 0.9412961585718358
Energy: 0.9646746092194163
Energy: 0.9500952648052172
Energy: 0.9444161864048907
Energy: 0.9417074240292235
Energy: 0.9803671543854345
Energy: 0.9672820944817055
Energy: 1.047689458284541
Energy: 0.9719676651411574
Energy: 1.0066425920008115
Energy: 0.9490491307419049
Energy: 0.9447831718166476
Energy: 0.9618026581856814
Energy: 0.9477677616962291
Energy: 0.9266244784379082
Energy: 1.0143275171761192
Energy: 0.9498246818448213
Energy: 1.1898873916875272
Energy: 1.0054008208851892
Energy: 0.9368680207194915
Energy: 0.9676610754287417
Energy: 0.9542467265429233
Energy: 0.9583575048748133
Energy: 1.0618639477821705
Energy: 0.9587075285902205
Energy: 0.9729476381548291
Energy: 0.9799331282945182
Energy: 0.9407666704841496
Energy: 0.9510709092088299
Energy: 0.957359641325944
Energy: 1.0186070821368953
Energy: 1.1011711734303935
Energy: 0.9888358095686469
Energy: 1.022513811638298
Energy: 0.9624003188089573
Energy: 0.9293085554032595
Energy: 0.9684559491753537
Energy: 1.009038793376882
Energy: 0.9617686144947288
Energy: 0.9819104526275383
Energy: 0.9435327293695973
Energy: 0.9498789999435818
Energy: 0.9349931136306654
Energy: 0.9614584364011083
Energy: 1.0551771549930087
Energy: 0.9572842825929246
Energy: 0.9973638109595608
Energy: 0.9374037555393796
Energy: 0.9623315578664396
Energy: 0.9423960723910948
Energy: 0.9483265872331739
Energy: 1.0192417558221474
Energy: 0.9983397970189478
Energy: 0.9712677899534876
Energy: 1.0277082689128834
Energy: 0.9784713402308634
Energy: 0.9707111769028104
Energy: 1.012105440704075
Energy: 0.9672584386227848
Energy: 0.9464188695001301
Energy: 0.9704454140344092
Energy: 0.9600493201914428
Energy: 0.9879651399105065
Energy: 0.9942044318924442
Energy: 1.006682188841153
Energy: 0.9879331185020547
Energy: 0.9535140200370901
Energy: 0.9653058191490813
Energy: 0.9573288725729346
Energy: 0.9367223352719367
Energy: 0.9605626159903361
Energy: 0.9808007490785687
Energy: 0.9746899873160112

minimum gb energy = 0.9266244784379082 eV
minimum distance =  2.45450082976525 Angstroms
sigma value = 311


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

Energy: 0.9719670748755367
Energy: 0.972474237437713
Energy: 1.0259350696555054
Energy: 0.9534366975597773
Energy: 1.0057423933479894
Energy: 1.021707345489617
Energy: 0.9987483102006043
Energy: 0.9617845844724949
Energy: 0.9689284339458922
Energy: 0.9950857114379721
Energy: 0.9797110687021457
Energy: 0.9958521647475775
Energy: 0.9866336348180759
Energy: 1.0040330362329968
Energy: 0.9407850753410193
Energy: 0.9373645129587731
Energy: 0.9749502057969727
Energy: 0.9934798503328057
Energy: 1.020662524309579
Energy: 0.9572282502051552
Energy: 0.977280739532735
Energy: 0.9745565962856476
Energy: 0.9588686299592701
Energy: 0.9512067647005167
Energy: 1.056193801192219
Energy: 0.9745476375296742
Energy: 0.9504787053887727
Energy: 1.014170561489325
Energy: 1.024725091012386
Energy: 0.9965846383050398
Energy: 0.9600207220712785
Energy: 0.9653853507307939
Energy: 1.0003635399598243
Energy: 0.9762465440750172
Energy: 1.0246580214531544
Energy: 0.9743238197634214
Energy: 0.985191869983486
Energy: 0.9558427793291301
Energy: 0.939699988114757
Energy: 0.9739226152394351
Energy: 0.9966505887635133
Energy: 0.9731641502469871
Energy: 1.002900342108462
Energy: 0.9359194598187558
Energy: 0.982148375086058
Energy: 0.9590753286057336
Energy: 0.9672263732264544
Energy: 1.0252305832536859
Energy: 0.9538399431309922
Energy: 0.9730888827888645
Energy: 0.9953133312178573
Energy: 0.9619294337271754
Energy: 1.0272719195225872
Energy: 0.9716780902354868
Energy: 0.9717783590753406
Energy: 0.9801471275684316
Energy: 0.9690754599907369
Energy: 1.0349585916395707
Energy: 0.9580938329028976
Energy: 0.984160420022026
Energy: 0.9998591422121818
Energy: 0.9374333586478131
Energy: 0.9988749133193758
Energy: 0.9825110516982751
Energy: 1.0432590197080545
Energy: 0.9879954215288812
Energy: 0.9609488084516628
Energy: 0.9839429334975918
Energy: 0.9503901404403481
Energy: 0.9699543931353458
Energy: 0.9810678131794482
Energy: 0.9675977937408603
Energy: 1.0389249862504797
Energy: 1.0342495213214118
Energy: 1.0124391764459375
Energy: 0.9914410253616669
Energy: 1.000775253866534
Energy: 0.9756293851441609
Energy: 0.98466415831876
Energy: 0.9615529182142274
Energy: 0.9510357123398957
Energy: 0.9917239866482762
Energy: 0.9700522420172527
Energy: 1.022703343948708
Energy: 0.9767743317426918
Energy: 0.933531781495737
Energy: 1.0259222349162185
Energy: 0.9451967208392554
Energy: 1.0459324128361736
Energy: 0.9796571703209476
Energy: 0.9528381117888642
Energy: 1.000477806857517
Energy: 0.9955310558076141
Energy: 0.9942847281197745
Energy: 1.033208913095935
Energy: 1.050168242554795
Energy: 1.0587119988972309
Energy: 1.119262818704453
Energy: 0.978662683964811
Energy: 1.0118368532119557
Energy: 0.9766653782303211
Energy: 0.9488301637693518
Energy: 0.9746099896794105
Energy: 0.9620470171002243
Energy: 1.0092797820514436
Energy: 0.9706479810912328
Energy: 1.0044830965600202
Energy: 0.9860456762667872
Energy: 0.9808798886528015
Energy: 0.9801508576278384
Energy: 0.9490732649736758
Energy: 0.9927585324403817
Energy: 1.0164282340831687
Energy: 1.0079920933952597
Energy: 0.9748818935622778
Energy: 0.9702416375384076
Energy: 1.0098929063085758
Energy: 0.9879445118335006
Energy: 0.9956373262926855
Energy: 0.9503638213365418
Energy: 0.9984334731460272
Energy: 0.9857042512184495
Energy: 0.9605245691792013
Energy: 0.9711202284183816
Energy: 0.9445194924387632
Energy: 0.9963260265242998
Energy: 0.9902246488098169
Energy: 0.9708526602586496
Energy: 0.9580574597294504
Energy: 0.9281411482261596
Energy: 0.9709138538196592
Energy: 0.9774112818663881
Energy: 0.995036541019969
Energy: 0.973686093826184
Energy: 1.012285814440432
Energy: 1.0235725410233512
Energy: 1.0031630832715897
Energy: 1.0859839007863177
Energy: 1.0407317964972027
Energy: 1.078754942351083
Energy: 0.974255687140141
Energy: 1.024586669052045
Energy: 0.9922582718283243
Energy: 0.9307408819152416
Energy: 0.983047030678546
Energy: 0.9921299525063785
Energy: 1.0207820514877433
Energy: 0.9728756120635519
Energy: 0.9872665207539474
Energy: 0.9556602297785035
Energy: 0.9466577884750371
Energy: 0.9634166173229441
Energy: 0.9689952527775572
Energy: 1.0084138036837416
Energy: 0.9904108911888053
Energy: 0.9837944287937547
Energy: 0.9819298635560252
Energy: 1.0268087323874187
Energy: 1.003752636845762
Energy: 1.0326264433573393
Energy: 0.9837520848180371
Energy: 0.9751124109086428
Energy: 0.996214951941383
Energy: 0.9755896857289704
Energy: 0.956281154300817
Energy: 0.9843438594902033
Energy: 0.9439229506084802
Energy: 1.0245168879596456
Energy: 1.0111874317661356
Energy: 1.0128914232506807
Energy: 0.9700661859613489
Energy: 0.9677706806620051
Energy: 0.9850797525585786
Energy: 1.0111787939893404
Energy: 1.0604788728475258
Energy: 0.9852562984923066
Energy: 1.016507592404101
Energy: 0.9544191410369003
Energy: 1.0349393517746652
Energy: 1.073754425726874
Energy: 1.0436414322876961
Energy: 1.047550059120577
Energy: 0.9529351283741214
Energy: 0.9871056239823379
Energy: 0.97764882540433
Energy: 0.958103478835228
Energy: 0.9686318278775395
Energy: 0.9586726541258702
Energy: 0.9757478632653522
Energy: 0.9718403038697608
Energy: 0.9928618191215547
Energy: 1.0158702592362776
Energy: 0.9413489147242747
Energy: 0.9708540402478355
Energy: 0.9425318149950103
Energy: 0.9581261951010919
Energy: 0.9872779240980983
Energy: 1.0071335696450943
Energy: 0.977555852683474
Energy: 0.9945993731264898
Energy: 1.0303319855978064
Energy: 0.9875952561954066
Energy: 0.9755318973993629
Energy: 1.0264677772707937
Energy: 0.9637279513000993
Energy: 0.9596827087239479
Energy: 0.9962149225733652
Energy: 0.9930938126908304
Energy: 0.960045225430987
Energy: 0.9912680968002981
Energy: 0.955226712055018
Energy: 0.9606528897872887
Energy: 0.9648357816892299
Energy: 0.9567053232789935
Energy: 0.9960451588639083
Energy: 0.9429011392573217
Energy: 0.9814888440754848
Energy: 0.9737910151412884
Energy: 0.991588315103373
Energy: 0.9657623742298139
Energy: 1.037065248125667
Energy: 1.1127050307410296
Energy: 0.9669807268970398
Energy: 0.9690856546457064
Energy: 0.9758059810931546
Energy: 0.9329717141260555
Energy: 0.9592390011493038
Energy: 0.9388131418452759
Energy: 0.9800527063286826
Energy: 0.958913555947976
Energy: 1.0080986540673234
Energy: 0.9536160323380765
Energy: 0.966412672427172
Energy: 0.9653352064079164
Energy: 1.0415942670832112
Energy: 0.9647353624239579
Energy: 0.9778303331405198
Energy: 0.989660348446261
Energy: 0.9856658916504696
Energy: 0.9932995395107517
Energy: 0.99015176510187
Energy: 1.0096569743774724
Energy: 1.0021650155765223
Energy: 0.9824986624699337
Energy: 1.0098413715732235
Energy: 0.9929714325730573
Energy: 0.9592922602835887
Energy: 1.0231120991699418
Energy: 1.006948340867909
Energy: 0.9711854914827267
Energy: 0.9533929204799843
Energy: 0.9787121832170262

minimum gb energy = 0.9281411482261596 eV
minimum distance =  2.46577480255533 Angstroms
sigma value = 39


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

Energy: 0.8983091354157595
Energy: 0.88084780491569
Energy: 1.2501389292158398
Energy: 1.106388795228813
Energy: 0.9888227076164664
Energy: 1.040493516597577
Energy: 0.8809661732979635
Energy: 0.8799175423130615
Energy: 0.9713348488000078
Energy: 1.0430044491220816
Energy: 1.0254815472347325
Energy: 0.95696767829992
Energy: 0.9608660836103295
Energy: 0.966222222640924
Energy: 0.9608616428894011
Energy: 0.9410944538243023
Energy: 0.9451927366582975
Energy: 1.0047840716278917
Energy: 0.9583523489213863
Energy: 0.9566830154700553
Energy: 0.9571682817425895
Energy: 0.9652660011941674
Energy: 0.9401135002278962
Energy: 1.0510035632009425
Energy: 0.956651714369231
Energy: 1.0159506602088326
Energy: 0.9509350477056745
Energy: 1.0845259037097479
Energy: 0.9621235732235669
Energy: 0.9545383453790572
Energy: 1.024506388619859
Energy: 0.9465155927805047
Energy: 1.0358374651425828
Energy: 0.9539606689630242
Energy: 0.9575737590388491
Energy: 0.8803983156985302
Energy: 0.9566003178642727
Energy: 0.945544744410474
Energy: 0.9401818287098288
Energy: 0.9747250014864006
Energy: 0.956489493130582
Energy: 0.9858089533091086
Energy: 0.9657289933019271
Energy: 0.9634851664094887
Energy: 0.9438336290158937
Energy: 1.2196084079643281
Energy: 0.8806770452395843
Energy: 0.882578142559794
Energy: 0.96580481423805
Energy: 0.8808212915994318
Energy: 0.9716620718258093
Energy: 1.0437810060823896
Energy: 0.9421456724206129
Energy: 1.0433601250236255
Energy: 0.9453179769215538
Energy: 0.9597634088486338
Energy: 0.8810033012245347
Energy: 0.9720355703568803
Energy: 1.0442577232608472
Energy: 0.9409238063655535
Energy: 0.9539578088099648
Energy: 0.9453772416239957
Energy: 0.9635757577444907
Energy: 0.965715447737232
Energy: 0.9640318599656883
Energy: 1.0462062321871837
Energy: 1.001936674928676
Energy: 0.9547820743626834
Energy: 0.9574558930632195
Energy: 0.957282341331361
Energy: 0.9665045064235748
Energy: 0.9425207377569444
Energy: 0.9606111417845477
Energy: 0.9406966401463618
Energy: 0.955450901353764
Energy: 0.9616574987448037
Energy: 1.019963154330144
Energy: 0.9744831898888809
Energy: 0.9555906688922952
Energy: 0.9388897523724077
Energy: 0.9412218254962913
Energy: 1.0258035100559175
Energy: 0.9475863545853108
Energy: 0.9609841433152984
Energy: 0.8817226777576868
Energy: 0.9550548908832558
Energy: 1.0442034164745186
Energy: 0.9513457334034988
Energy: 1.0226731191818619
Energy: 0.9487985661830114
Energy: 0.9572769795007896
Energy: 0.9648199461001201
Energy: 0.9419583329566005
Energy: 0.9441942068235182
Energy: 1.0161978370145206
Energy: 0.8808786268955328
Energy: 0.8828492053613878
Energy: 0.9656235489032585
Energy: 0.8801376016657128
Energy: 0.9619405599318525
Energy: 0.9445538001490252
Energy: 1.0133194290095409
Energy: 0.8806298164218659
Energy: 0.8807437233905885
Energy: 0.9670898273398032
Energy: 0.8807307222560791
Energy: 0.9616995308720344
Energy: 0.9816745147680455
Energy: 0.9500253137349111
Energy: 0.9977517494334592
Energy: 1.040767488660402
Energy: 0.8811990149855202
Energy: 0.9612574633834721
Energy: 0.9713898286301218
Energy: 1.0407650272095357
Energy: 1.0262554545339175
Energy: 0.9568666669500241
Energy: 0.9586303317860726
Energy: 0.9660958038174988
Energy: 0.9585479890792046
Energy: 0.9411054664845838
Energy: 0.9446578236761839
Energy: 1.0558129615129948
Energy: 1.0039343599870088
Energy: 0.9569833562358447
Energy: 0.9571093652684006
Energy: 0.965228227666315
Energy: 0.9424793856704036
Energy: 1.0505355687923186
Energy: 0.9566962369771818
Energy: 1.0236337243470075
Energy: 1.0459239967624658
Energy: 1.083543809667897
Energy: 0.9624877930860694
Energy: 0.954283587423847
Energy: 1.0245164156354136
Energy: 0.94589074021711
Energy: 1.0000016611707923
Energy: 0.9530954229941531
Energy: 0.9575062548417603
Energy: 0.880380039510473
Energy: 0.9566485098147672
Energy: 0.9448331272624182
Energy: 0.9402176087475133
Energy: 0.9749187760382484
Energy: 0.8805489890708594
Energy: 0.9864685741848993
Energy: 0.9654469284546661
Energy: 0.9629495871579474
Energy: 0.9441408278783305
Energy: 1.0335881684886414
Energy: 0.8806573046996012
Energy: 0.8825612456385016
Energy: 0.9656687394115888
Energy: 0.8806493017390119
Energy: 0.9715981113792694
Energy: 1.0435662819031042
Energy: 0.9418787368990358
Energy: 1.0425361317421376
Energy: 0.9551356646308239
Energy: 0.9564282377042359
Energy: 0.8810530300786369
Energy: 0.97185943263814
Energy: 1.0227601187153113
Energy: 0.9426465676294247
Energy: 0.9538704312445856
Energy: 0.9450325104930053
Energy: 0.9638047661347969
Energy: 0.9658248082284128
Energy: 0.9648516156001065
Energy: 0.9511574842570927
Energy: 1.0032012095698088
Energy: 0.9557174730847239
Energy: 0.9570806854408938
Energy: 0.9573909245074297
Energy: 0.9670251382765883
Energy: 0.942734453427608
Energy: 0.9586561676657122
Energy: 0.9407868047078396
Energy: 0.955028555319893
Energy: 0.9459790039577884
Energy: 1.0193180932390662
Energy: 0.97438197535649
Energy: 0.9555898579956833
Energy: 0.9385452660297342
Energy: 0.9414709540057846
Energy: 1.0133384110448638
Energy: 0.9475572401722898
Energy: 0.9608586568000911
Energy: 0.8820694988716822
Energy: 0.9547727368536763
Energy: 1.0440319891332073
Energy: 0.9514457101188258
Energy: 1.022888633677821
Energy: 0.9493096931245936
Energy: 0.9575634470371899
Energy: 0.9653712673448572
Energy: 0.9424737704055715
Energy: 0.944024374696183
Energy: 1.0251857556326736
Energy: 0.880635518521698
Energy: 0.8824842196392119
Energy: 0.9656883306980892
Energy: 0.8800490330042339
Energy: 0.9617768917779753
Energy: 0.9447590566286796
Energy: 0.9400190829249927
Energy: 0.8807865419640045
Energy: 0.8807160041472749
Energy: 0.967175331863752

minimum gb energy = 0.8799175423130615 eV
minimum distance =  2.52993643188141 Angstroms
sigma value = 21


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

Energy: 1.1511475436916097
Energy: 0.8863378623352437
Energy: 0.9444584204340256
Energy: 1.2728755002835979
Energy: 0.9222817117109751
Energy: 0.9231129774238415
Energy: 0.8855872892616743
Energy: 0.959427061843057
Energy: 0.8788614265614424
Energy: 0.9877539993191625
Energy: 0.9647246293542878
Energy: 0.8740025198142756
Energy: 0.9356319137999362
Energy: 0.9424149520783957
Energy: 0.9234860012220529
Energy: 0.9337902324532443
Energy: 0.9785945292546837
Energy: 0.9729351078018401
Energy: 0.9157714024196172
Energy: 0.9354708784264097
Energy: 0.9516422080354532
Energy: 1.0364293465754406
Energy: 0.8841318473896305
Energy: 0.9526536998188802
Energy: 0.9646432317712172
Energy: 0.8983600034484953
Energy: 0.9857223965201679
Energy: 0.9450079514643501
Energy: 0.9151004689308493
Energy: 0.874918077028963
Energy: 0.9553764023123945
Energy: 0.9122970210138002
Energy: 0.8844590862978595
Energy: 0.9507989170466324
Energy: 0.9453345803951888
Energy: 0.8868476897675409
Energy: 0.8865151683489434
Energy: 0.9636280165767654
Energy: 0.9102692561068793
Energy: 0.942657213006975
Energy: 0.9408654617397539
Energy: 0.9403434316242805
Energy: 0.9569958531924576
Energy: 0.907505084350899
Energy: 0.9236387619894627
Energy: 0.9353030240688325
Energy: 0.8861392938526806
Energy: 0.8867081057586679
Energy: 0.9421437879594151
Energy: 0.9219229356590163
Energy: 0.9149581721704915
Energy: 0.9797633621151792
Energy: 0.9831148484778027
Energy: 0.9350117757600853
Energy: 0.9143334785856104
Energy: 0.9456530730113241
Energy: 0.932305168919651
Energy: 0.9121761362596299
Energy: 0.981372991699678
Energy: 0.9653316796589917
Energy: 0.88397268586302
Energy: 0.9462596710319544
Energy: 0.9409153117093103
Energy: 0.9333290299896653
Energy: 1.0007380354763116
Energy: 1.082626665983793
Energy: 0.958421731665292
Energy: 0.9238903045425945
Energy: 0.9237290852477146
Energy: 0.9151578601618624
Energy: 0.9216499462980279
Energy: 0.9637411652361736
Energy: 0.9473105457093172
Energy: 1.031824091154919
Energy: 0.8924788673900312
Energy: 0.8858339935557404
Energy: 0.9418533673952841
Energy: 0.9231813299511287
Energy: 0.9648230020557153
Energy: 0.9532265122170194
Energy: 0.9821715443178474
Energy: 0.8856524932759453
Energy: 0.8855494855305458
Energy: 1.0795313114680638
Energy: 0.885618241387823
Energy: 0.9156550542842626
Energy: 1.0744285787427217
Energy: 0.9687796519141189
Energy: 0.9037921585570968
Energy: 0.9346728358096209
Energy: 0.886620551977454
Energy: 0.8854405024553428
Energy: 1.0125149241375233
Energy: 0.9867086084728685
Energy: 1.0028621711072698
Energy: 0.9506084638769381
Energy: 0.9716437159601004
Energy: 0.9234923243147332
Energy: 0.9229655758696784
Energy: 0.8785689431333665
Energy: 0.9550520586073287
Energy: 0.9359789552004484
Energy: 0.9140374462631661
Energy: 0.9354536536971284
Energy: 1.0818250322981324
Energy: 0.9522032174684726
Energy: 0.9810269245424074
Energy: 0.9826046206218618
Energy: 0.9598512310265435
Energy: 0.9523278800574674
Energy: 0.9814082405173902
Energy: 0.9516671087368714
Energy: 0.9144612784182433
Energy: 0.9438028006904976
Energy: 0.9538469502453165
Energy: 0.9119711746194709
Energy: 0.9213607035171282
Energy: 0.9307296895530119
Energy: 0.9482889997309079
Energy: 0.8869432686863089
Energy: 0.8754776521352664
Energy: 0.9996064740552588
Energy: 1.020429472114459
Energy: 0.8803948868143218
Energy: 0.9460317985205472
Energy: 0.919325196894778
Energy: 0.8858011247813745
Energy: 0.8789224958244716
Energy: 0.9546414235683536
Energy: 0.9989937707130289
Energy: 0.8880357162600242
Energy: 0.8865575788839598
Energy: 0.9409806989365521
Energy: 0.9326720797326864
Energy: 0.9142084613486775
Energy: 0.9765608817571849
Energy: 0.9978366619347108
Energy: 0.9208766731542407
Energy: 0.9144914553135596
Energy: 0.9429390214940071
Energy: 0.9230241027303174
Energy: 0.8786013536393209
Energy: 0.968054835502028
Energy: 0.9605977406584556
Energy: 0.8798157127923132
Energy: 0.9416204912731929
Energy: 0.96826134478414
Energy: 0.9334465431810333
Energy: 0.8873819641456819
Energy: 0.9542609578251866
Energy: 0.9725483059544797
Energy: 0.9022331556117996
Energy: 0.9308606703534902
Energy: 0.939023999990545
Energy: 1.0240487525460835
Energy: 0.9804866896228953
Energy: 0.936093458130537
Energy: 0.9693759514473771
Energy: 0.9661595174754654
Energy: 0.9526726668020432
Energy: 0.9207667201118369
Energy: 0.9218349710522749
Energy: 0.9114889027243197
Energy: 0.9371468975664443
Energy: 0.9809543002929473
Energy: 0.8861380283968405
Energy: 0.8856577814462965
Energy: 1.0794929024705389
Energy: 0.8854438963802962
Energy: 0.9567158899637362
Energy: 0.9423203735167455
Energy: 1.0274816650119414
Energy: 0.9748103493521013
Energy: 0.9583588895020324
Energy: 0.9363539848997817

minimum gb energy = 0.8740025198142756 eV
minimum distance =  2.49846780761555 Angstroms
sigma value = 113


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

Energy: 1.1352865621610189
Energy: 0.9869888397052136
Energy: 1.2534136238800702
Energy: 1.0063331584585191
Energy: 1.1478621390766333
Energy: 1.0825679255021663
Energy: 1.120426051702802
Energy: 1.0538417723611184
Energy: 1.1151965682036078
Energy: 1.0176314844195824
Energy: 0.9378549609705348
Energy: 1.0090636937947324
Energy: 0.893408790265073
Energy: 1.1480606879021016
Energy: 1.147756485812724
Energy: 1.0256962319142995
Energy: 1.0796652332529522
Energy: 1.1454893885744462
Energy: 1.1765691599827528
Energy: 1.0668787210095565
Energy: 1.0482982596830646
Energy: 1.045783280475337
Energy: 0.9597635386920739
Energy: 1.0881815539526096
Energy: 1.1682908983831974
Energy: 1.1511634808790165
Energy: 1.082192020568113
Energy: 1.01235343255171
Energy: 0.8944713096737755
Energy: 0.9547179041380712
Energy: 0.971123767758181
Energy: 1.0341831936309276
Energy: 0.9988748127394406
Energy: 1.0207118368129307
Energy: 0.9848056735331582
Energy: 0.992051711037843
Energy: 1.0441645435148428
Energy: 1.0213257009095706
Energy: 0.9186533840221172
Energy: 1.0217605760328832
Energy: 1.059941844594188
Energy: 0.9925609682503861
Energy: 1.0295144379388044
Energy: 0.917897122458535
Energy: 1.0061421301022906
Energy: 0.9074189420885299
Energy: 1.0862806952043358
Energy: 1.020550561215798
Energy: 1.0086814819671128
Energy: 1.0067343224103535
Energy: 0.9262990616612148
Energy: 0.9212825384731761
Energy: 1.0264049565776816
Energy: 0.9415844594769796
Energy: 0.9193651884373204
Energy: 0.9369396943707492
Energy: 0.8850508919513259
Energy: 1.0317452001592744
Energy: 1.0105868280849306
Energy: 0.9649148950079106
Energy: 1.0607365835213312
Energy: 1.060358823482039
Energy: 0.903946008093805
Energy: 1.0497336815495786
Energy: 0.9582745851083764
Energy: 0.9725598860183265
Energy: 0.9483374485410928
Energy: 0.9294122268427318
Energy: 1.0063120774046999
Energy: 0.9891212160025499
Energy: 0.9937366350158423
Energy: 0.9391040548974126
Energy: 0.9431136566600022
Energy: 0.9885713235741026
Energy: 0.963049712836138
Energy: 0.9488942102735519
Energy: 1.007877497787009
Energy: 0.9255757660761967
Energy: 0.9282698545699916
Energy: 1.059852802619233
Energy: 1.0052695017758146
Energy: 1.078828668279708
Energy: 1.1072400432891278
Energy: 0.9368964503312706
Energy: 1.0074604523764772
Energy: 0.9583305683466543
Energy: 0.980292587075883
Energy: 1.1324797204814951
Energy: 1.1328208409279361
Energy: 0.9829126496640199
Energy: 0.9733260021066947
Energy: 1.0617653159013636
Energy: 0.964038225212529
Energy: 1.0428545603731418
Energy: 0.9793070455733386
Energy: 0.9374415977565796
Energy: 0.9568862672861674
Energy: 0.9867210150933133
Energy: 0.9475242214927755
Energy: 1.1348029701943783
Energy: 1.0091507340209083
Energy: 0.9733885253453182
Energy: 0.9741044357499397
Energy: 1.017218672189561
Energy: 1.1282030888716554
Energy: 0.8906002649944413
Energy: 0.9682798337262913
Energy: 1.0220066675450312
Energy: 1.0008111755138724
Energy: 1.0214185762893584
Energy: 1.0651055115735144
Energy: 1.0395784330087374
Energy: 1.0382329607091334
Energy: 1.0408264901826076
Energy: 1.0266550930790879
Energy: 0.9832865168962189
Energy: 1.0843416869296676
Energy: 1.1295323102376993
Energy: 0.9972301478436523
Energy: 1.012045640390013
Energy: 1.081951207274446
Energy: 1.0861450340569887
Energy: 1.1618275140358478
Energy: 1.124276283988533
Energy: 1.0713852821255354
Energy: 1.0581180790127385
Energy: 0.971336643694876
Energy: 0.947098666710836
Energy: 0.8990795476494452
Energy: 0.9642204531333702
Energy: 0.9785902764473563
Energy: 0.9869984408027506
Energy: 1.0076799916920658
Energy: 1.15543623988145
Energy: 1.0380136958864907
Energy: 1.0733902855437023
Energy: 1.0451957189263805
Energy: 1.1505264397114834
Energy: 1.0812830345739715
Energy: 1.076104027261476
Energy: 1.0878336182122412
Energy: 0.9551305924033482
Energy: 0.9762875489618115
Energy: 0.9217414013448523
Energy: 1.1028690190414658
Energy: 1.120110237208294
Energy: 1.0573367332963106
Energy: 0.9837537215965949
Energy: 0.9955830754945049
Energy: 0.9973245856695672
Energy: 0.9564860844723612
Energy: 1.143698624140608
Energy: 1.1207450485543253
Energy: 1.0580346060138603
Energy: 1.1331386362556486
Energy: 1.0693729478293492
Energy: 1.0734227819127609
Energy: 1.1260631015677511
Energy: 1.1117774243740859
Energy: 1.08073408850896
Energy: 1.0109621844931216
Energy: 0.9765402370090924
Energy: 1.0513239423895713
Energy: 0.9521700830848144
Energy: 0.9869186011763053
Energy: 0.9896459473156498
Energy: 0.9641588485161922
Energy: 1.144292332374829
Energy: 1.0136031598820694
Energy: 1.0662318082527569
Energy: 1.0779945474441843
Energy: 1.0782232710913329
Energy: 1.1571072705206036
Energy: 1.0674938558651574
Energy: 1.0518389503280208
Energy: 1.047325843026433
Energy: 0.9193640624653237
Energy: 1.0900237103671282
Energy: 1.171163894926913
Energy: 1.1520728391491644
Energy: 1.0830580739646471
Energy: 1.0584967634534141
Energy: 0.921079834442811
Energy: 0.9827600994417427
Energy: 0.9697505279298666
Energy: 1.0349792477529023
Energy: 0.9710809029930383
Energy: 1.0246674622638594
Energy: 1.0231522058919198
Energy: 0.991641405465245
Energy: 1.0367055731925334
Energy: 1.0219019847963944
Energy: 0.9359471173681078
Energy: 1.0229747328262806
Energy: 1.0613143250382175
Energy: 1.023508757124864
Energy: 1.0320437666030435
Energy: 0.9371199061809872
Energy: 1.022344680232594
Energy: 1.0946280566189208
Energy: 0.9688455373971815
Energy: 1.0224760116624412
Energy: 0.9206504182115389
Energy: 1.0668065129266515
Energy: 0.9586077766642508
Energy: 0.9815341583424794
Energy: 0.9965089799323037
Energy: 1.072609347062217
Energy: 0.9614279568680251
Energy: 0.9400124282751141
Energy: 0.8860953509653751
Energy: 1.0015029681257062
Energy: 1.011671754132936
Energy: 0.9784371127162592
Energy: 1.0606782874688412
Energy: 1.0605545833468992
Energy: 1.0188897757507953
Energy: 0.9444396308783181
Energy: 0.9589914973335911
Energy: 0.9155935360761929
Energy: 0.9486320949674721
Energy: 0.9644633956641335
Energy: 0.9035751409653304
Energy: 0.9659121858895431
Energy: 0.9901398756193718
Energy: 0.939005763082235
Energy: 0.9518928110586146
Energy: 0.9927368137316341
Energy: 0.9419480064246228
Energy: 0.9941009795614378
Energy: 1.0068043045702582
Energy: 0.8926146237555435
Energy: 0.9277027241564526
Energy: 1.0596398750876976
Energy: 1.030976306466605
Energy: 1.1172149648186003
Energy: 1.1072366725360836
Energy: 0.9597635100069244
Energy: 0.936972448222475
Energy: 0.9551480400544385
Energy: 0.9806598248284107
Energy: 0.9667706252155133
Energy: 1.056495658125209
Energy: 0.998595825488133
Energy: 0.9257461726122042
Energy: 1.0604331708130332
Energy: 0.9436583399314434
Energy: 1.021079128289389
Energy: 0.9300858921372911
Energy: 0.9936724639004904
Energy: 1.020528361966955
Energy: 0.9273832951074997
Energy: 0.9478845469148506
Energy: 1.0118228404172933
Energy: 1.0081408275261154
Energy: 0.919712495471382
Energy: 0.9713783613489501
Energy: 1.017260097480943
Energy: 0.9123628802750863
Energy: 0.8924192619287051
Energy: 0.9625698506388121
Energy: 1.0176785683987215
Energy: 1.0018726129759896
Energy: 1.0216298975802505
Energy: 1.0223154174242572
Energy: 1.0573632043138577
Energy: 1.0314604024333056
Energy: 1.0154436414975783
Energy: 1.0257873282188594
Energy: 1.1340393281247263
Energy: 1.13044653253996
Energy: 1.063816577887163
Energy: 0.9765684765414149
Energy: 1.0138048256378716
Energy: 1.0672572360702741
Energy: 1.0868100379883592
Energy: 1.0628022309517449
Energy: 1.14590073775304
Energy: 0.9517632164437669
Energy: 1.0193572086749225
Energy: 1.1053678775623166
Energy: 0.985509738555862
Energy: 1.0741636079962387
Energy: 1.0648412949702106
Energy: 0.9146896195790517
Energy: 0.9378237217731795
Energy: 1.0530527897477757
Energy: 1.0650409213251537
Energy: 0.9922615337559281
Energy: 1.1659233165182117
Energy: 1.0453495451160046
Energy: 1.148583313283509
Energy: 1.0806874174058017
Energy: 1.1089954924731509
Energy: 1.0895393389060455
Energy: 0.9687881178683112
Energy: 0.9845863374107929
Energy: 1.0013056397177773
Energy: 1.1112951345307092
Energy: 1.112787429934597
Energy: 1.0574527520027732
Energy: 1.0878883645836843
Energy: 0.9445052822789751
Energy: 1.040823937333441
Energy: 1.055390809436106
Energy: 1.1102435192463598
Energy: 1.1206202941462189
Energy: 1.0677966516522328
Energy: 1.1198944681186158
Energy: 1.0926657456252116
Energy: 1.0724145520931805
Energy: 1.1259984080122998
Energy: 1.1760361640940367
Energy: 1.0811561914349854
Energy: 1.0108762607351849

minimum gb energy = 0.8850508919513259 eV
minimum distance =  2.4796080185257 Angstroms
sigma value = 365


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

Energy: 1.011110266847626
Energy: 1.0115920414899158
Energy: 0.9134707016194891
Energy: 0.9103301549073503
Energy: 0.9100655246373179
Energy: 0.9117183649387263
Energy: 0.9111690219474031
Energy: 0.9996418165043447
Energy: 1.101319068399086
Energy: 0.9688331261089835
Energy: 0.9102259843245003
Energy: 0.910100566275919
Energy: 0.9697650310702662
Energy: 1.101161138760009
Energy: 0.9700076550495277
Energy: 1.0986431887191828
Energy: 0.9690943990933338
Energy: 0.9102559601137008
Energy: 0.9106521793814178
Energy: 0.9678013138630308
Energy: 0.910154368217514
Energy: 0.9712354996336018
Energy: 1.0978553981582584
Energy: 0.9691645981534758
Energy: 0.9104241502910161
Energy: 0.9103102045404636
Energy: 0.9105796968985943
Energy: 0.9109934279035796
Energy: 0.9978176852860805
Energy: 1.1001642298428504
Energy: 0.9709084358480595
Energy: 1.1005844495259771
Energy: 0.9097521299982109
Energy: 0.9706006697391322
Energy: 1.1005348138955233
Energy: 0.9732660922536248
Energy: 1.0991096888124214
Energy: 0.910602340425145
Energy: 0.9094031967831389
Energy: 0.9092997496759023
Energy: 0.9095175316289048
Energy: 0.9111877314997516
Energy: 0.9697275654504466
Energy: 1.100703010860868
Energy: 0.9700785652586286
Energy: 0.9101106012178474
Energy: 0.9100417765425117
Energy: 0.9699799812213415
Energy: 1.1005008427714222
Energy: 0.9697095854656261
Energy: 1.0993600989547947
Energy: 0.9696362446575333
Energy: 0.9106328625263223
Energy: 0.9103431486579657
Energy: 0.9688069578829516
Energy: 1.1008058932843354
Energy: 0.9744366130385818
Energy: 1.097698211312839
Energy: 0.9101080067618522
Energy: 0.9106409107473373
Energy: 0.9100175658766115
Energy: 0.9106628347736759
Energy: 0.9114749717465389
Energy: 0.9972877381318789
Energy: 1.1000975567996456
Energy: 0.9708460997978484
Energy: 1.1819471162038124
Energy: 1.183510264343976
Energy: 0.9702292166177289
Energy: 1.1003521822971891
Energy: 0.9728318487068627
Energy: 1.0978092760047427
Energy: 0.9105080304601064
Energy: 0.9101591948314868
Energy: 0.9106064476006597
Energy: 0.9102219365085378
Energy: 0.9110506546813626
Energy: 0.9700948650938479
Energy: 1.0996253043382946
Energy: 0.9693661876374755
Energy: 0.9110063145487238
Energy: 0.9108471287118735
Energy: 0.9683522242569449
Energy: 1.1005339979485134
Energy: 0.970570154043433
Energy: 1.1005113373476558
Energy: 0.9705255922512221
Energy: 0.9101880192397155
Energy: 0.9096221553836219
Energy: 0.9707562114404609
Energy: 1.1011599804244112
Energy: 0.9751798537110611
Energy: 1.0986804709462707
Energy: 0.9086003473106881
Energy: 0.9098462007808956
Energy: 0.909659896480849
Energy: 0.9080459710036137
Energy: 0.91122684379052
Energy: 0.9982899535728726
Energy: 1.1010918312255418
Energy: 0.9710515338636437
Energy: 0.9103866269141272
Energy: 0.912480759445799
Energy: 0.9681201098566151
Energy: 1.1001169970404259
Energy: 0.9706928673124768
Energy: 1.0979647836044328
Energy: 0.9690791380536522
Energy: 0.9100636440593703
Energy: 0.9106525766719538
Energy: 0.910329807691315
Energy: 0.910834314269434
Energy: 0.9703395811859845
Energy: 1.0980388205656233
Energy: 0.9689149695500304
Energy: 0.9105818381384139
Energy: 0.9104310590790485
Energy: 0.967635791390517
Energy: 0.9101300476272454
Energy: 0.9986118925064269
Energy: 1.1016439783126466
Energy: 0.9690172919955681
Energy: 0.9101020936613402
Energy: 0.909684560789586
Energy: 0.967880400836295
Energy: 1.1004003904722612
Energy: 0.9724016801831272
Energy: 1.099674977858172
Energy: 0.9087972727695347
Energy: 0.91010777624701
Energy: 0.9093939150109533
Energy: 0.9092038195626931
Energy: 0.9112843841871705
Energy: 0.9709490349342738
Energy: 1.100768738381542
Energy: 0.9695498748973019
Energy: 0.9099005665080048
Energy: 0.9104946913292536
Energy: 0.9703006069467459
Energy: 1.1014169735122368

minimum gb energy = 0.9080459710036137 eV
minimum distance =  2.54979952519783 Angstroms
sigma value = 23