Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315671682358
cohesive_energy=3.540278409465544
mass=63.546
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: 0.016778364714679018
Energy: 0.42184279664167645
Energy: 0.7124781122648706
Energy: 0.42182997133658395
Energy: 0.016778364714679018
Energy: 0.42184279664090757
Energy: 0.232866421844105
Energy: 0.4267185137593198
Energy: 0.017031123838916577
Energy: 0.24073821988585994
Energy: 0.017048756624228396
Energy: 0.42671851375957615
Energy: 0.017031123838660275
Energy: 0.24073821988509106
Energy: 0.016778364714679018
Energy: 0.42184279664193275
Energy: 0.7124781122653832
Energy: 0.42182997133632766
Energy: 0.016778364714906836
Energy: 0.4218427966411638
Energy: 0.232866421844105
Energy: 0.42671851375957615
Energy: 0.017031123838916577
Energy: 0.24073821988585994
Energy: 0.017048756624228396
Energy: 0.4267185137593198
Energy: 0.017031123838916577
Energy: 0.24073821988509106
Energy: 0.016778364714679018
Energy: 0.42184279664167645
Energy: 0.23286642184362083
Energy: 0.42182997133632766
Energy: 0.016778364714679018
Energy: 0.4218427966411638
Energy: 0.23286642184336456
Energy: 0.42671851375957615
Energy: 0.017031123838916577
Energy: 0.24073821988611627
Energy: 0.017048756623972094
Energy: 0.4267185137593198
Energy: 0.017031123839172872
Energy: 0.24073821988534735

minimum gb energy = 0.016778364714679018 eV
minimum distance =  2.53365489773063 Angstroms
sigma value = 5


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

Energy: 1.1688395414815012
Energy: 1.2041547450027938
Energy: 1.2009455225780847
Energy: 1.2043940615079525
Energy: 1.1688395414815012
Energy: 1.2041547450027938
Energy: 1.227726349326833
Energy: 1.1129481471204608
Energy: 1.130762061656329
Energy: 1.1435541824508704
Energy: 1.1130403339112012
Energy: 1.1129481471173992
Energy: 1.130762061656329
Energy: 1.1435541824508704
Energy: 1.0689550747255263
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Energy: 1.0928810320118802
Energy: 1.2384779664918202
Energy: 1.158699577783348
Energy: 1.1253661409959312
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Energy: 1.158699577783348
Energy: 1.1253661409898081
Energy: 1.2086799895096096
Energy: 1.0742737688383939
Energy: 1.0549115381102294
Energy: 1.265526851399467
Energy: 1.116035111361104
Energy: 1.0742737688383939
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Energy: 1.0873593510566681
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Energy: 1.152277974029017
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Energy: 1.1168644965380674
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Energy: 1.0689157800896243
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Energy: 1.3419575435283604
Energy: 1.1645905594492807
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Energy: 1.1243900649929282
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Energy: 1.0759319472521869
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Energy: 1.1894816099265553
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Energy: 1.3288277184006512
Energy: 1.2713275387899072
Energy: 1.1825418668560688
Energy: 1.175977823189144
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Energy: 1.0737055721696749
Energy: 1.0934378443055717
Energy: 1.1216665691075878
Energy: 1.1249254266171633
Energy: 1.0737055721636073
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Energy: 1.1444266130613545
Energy: 1.1565178338841198
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Energy: 1.1360512953040305
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Energy: 1.0921534875757777
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Energy: 1.0921534875727161
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Energy: 1.0832310727977978
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Energy: 1.2626662536769906
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Energy: 1.2413636408325768
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Energy: 1.0734243911944978
Energy: 1.0864945047010603
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Energy: 1.1795160758790606
Energy: 1.1946130869948839
Energy: 1.1005588381386104
Energy: 1.0921896473483919
Energy: 1.179516075885184
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Energy: 1.209005961485641
Energy: 1.1409338484393559
Energy: 1.11303120133865
Energy: 1.1988293897197937
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Energy: 1.1069229203107078
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Energy: 1.1689643124523295
Energy: 1.10932956338084
Energy: 1.0758328164767184
Energy: 1.1662337521474109
Energy: 1.085998214902107
Energy: 1.1093295633839018
Energy: 1.0758328164736566
Energy: 1.1662337521474109
Energy: 1.1765853042209626
Energy: 1.099418359983204
Energy: 1.238615315177416
Energy: 1.1984453351832516
Energy: 1.1765853042148395
Energy: 1.0994183599801424
Energy: 1.2386153151804775
Energy: 1.110844388150447
Energy: 1.0945937307493299
Energy: 1.1970906701718271
Energy: 1.1528331595258237
Energy: 1.1108443881565702
Energy: 1.0945937307493299
Energy: 1.197090670174889
Energy: 1.0585649696563935
Energy: 1.0768232427815554
Energy: 1.2504088963089615
Energy: 1.1151218420254556
Energy: 1.0585649696563935
Energy: 1.0768232427815554
Energy: 1.2504088963089615
Energy: 1.0745029730063518
Energy: 1.1136617555706563
Energy: 1.3143359130749026
Energy: 1.1705039459290747
Energy: 1.0745029730032902
Energy: 1.1136617555767794
Energy: 1.3143359130779644
Energy: 1.0479519231188796
Energy: 1.1241582075927559
Energy: 1.1874507840892408
Energy: 1.0769913763420358
Energy: 1.0479519231219412
Energy: 1.1241582075958176
Energy: 1.1874507840923023

minimum gb energy = 1.0479519231188796 eV
minimum distance =  2.27523919050622 Angstroms
sigma value = 401


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

Energy: 1.1250507535330088
Energy: 1.2436849909054932
Energy: 1.22527782918116
Energy: 1.1935019228533577
Energy: 1.1250507535340828
Energy: 1.2436849909023973
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Energy: 1.1821921541290359
Energy: 1.1248060963600428
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Energy: 1.1285536634776674
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Energy: 1.0625985236245263
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Energy: 1.0552897790078497
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Energy: 1.3318187263255297
Energy: 1.0983315526395534
Energy: 1.055289779008229
Energy: 1.1713942587909567
Energy: 1.331818726323129
Energy: 1.0632654277398133
Energy: 1.1221357172126756
Energy: 1.183261288682601
Energy: 1.1047329890832265
Energy: 1.0632654277394977
Energy: 1.1221357172137496
Energy: 1.1832612886798208
Energy: 1.0967079350530302
Energy: 1.153366051190168
Energy: 1.159253911245971
Energy: 1.133274045262311
Energy: 1.0967079350533462
Energy: 1.153366051190547
Energy: 1.159253911249446
Energy: 1.1094248184646796
Energy: 1.102854265254223
Energy: 1.1733101324771746
Energy: 1.1674824799301398
Energy: 1.1094248184625946
Energy: 1.102854265254223
Energy: 1.1733101324771746
Energy: 1.0649190076460446
Energy: 1.0765167216825375
Energy: 1.1706966995730232
Energy: 1.1715339465834975
Energy: 1.0649190076467396
Energy: 1.0765167216818425
Energy: 1.170696699571633
Energy: 1.0759629978090726
Energy: 1.1109504479433776
Energy: 1.2136772445497175
Energy: 1.2059374036707367
Energy: 1.0759629978069873
Energy: 1.1109504479440726
Energy: 1.2136772445486435
Energy: 1.0859207659566947
Energy: 1.2436849909054932
Energy: 1.200624752851404
Energy: 1.1935019228536736
Energy: 1.0859207659563155
Energy: 1.2436849909030923
Energy: 1.200624752851088
Energy: 1.0692225625054912
Energy: 1.1839553522366018
Energy: 1.2249972883287048
Energy: 1.1223681025797716
Energy: 1.0692225625058702
Energy: 1.1839553522355908
Energy: 1.224997288329779

minimum gb energy = 1.0552897790064597 eV
minimum distance =  2.28340394215177 Angstroms
sigma value = 311


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

Energy: 1.2470178808690016
Energy: 1.100555943239403
Energy: 1.322455385575752
Energy: 1.1191814152865593
Energy: 1.2470178808686003
Energy: 1.1005559432398042
Energy: 1.210520049343189
Energy: 1.1455965573394946
Energy: 1.1518298969415897
Energy: 1.163633840526688
Energy: 1.1218987802956562
Energy: 1.1455965573394946
Energy: 1.1518298969407872
Energy: 1.1636338405262865
Energy: 1.1235003494037001
Energy: 1.123048698312809
Energy: 1.2460418850382171
Energy: 1.1176975656159218
Energy: 1.1235003494037001
Energy: 1.1230486983124077
Energy: 1.2460418850378159
Energy: 1.117526835230495
Energy: 1.070756474659893
Energy: 1.2634113635408377
Energy: 1.136201942893153
Energy: 1.117526835230495
Energy: 1.070756474659893
Energy: 1.2634113635404365
Energy: 1.1447186300331091
Energy: 1.1209850878416499
Energy: 1.2786804727222179
Energy: 1.1365685384836832
Energy: 1.144718630032708
Energy: 1.1209850878416499
Energy: 1.2658511151485126
Energy: 1.1235264172285708
Energy: 1.0748126588132043
Energy: 1.228255328275574
Energy: 1.1162911554373331
Energy: 1.1235264172285708
Energy: 1.0748126588124016
Energy: 1.2282553282759752
Energy: 1.1181711838469823
Energy: 1.191307706507367
Energy: 1.1312923313478376
Energy: 1.1280835570282068
Energy: 1.118171183846581
Energy: 1.191307706507367
Energy: 1.1312923313478376
Energy: 1.1197471504243879
Energy: 1.091346919029237
Energy: 1.3369322814321967
Energy: 1.1233913036287657
Energy: 1.1197471504243879
Energy: 1.0913469190300398
Energy: 1.3369322814321967
Energy: 1.0966661189946438
Energy: 1.086461053246708
Energy: 1.2495474734373015
Energy: 1.140189452043101
Energy: 1.0966661189954463
Energy: 1.0864610532463068
Energy: 1.2495474734369003
Energy: 1.1133388482232904
Energy: 1.0975638870122484
Energy: 1.3007585698231097
Energy: 1.179854493707263
Energy: 1.1133388482224877
Energy: 1.0975638870138538
Energy: 1.300758569823912
Energy: 1.153435304049455
Energy: 1.1075909052610742
Energy: 1.2607705025709304
Energy: 1.0681383833836007
Energy: 1.1534353040498564
Energy: 1.1075909052614752
Energy: 1.2607705025701277
Energy: 1.1596519224753208
Energy: 1.1894804395447938
Energy: 1.2172471401351392
Energy: 1.148312409669774
Energy: 1.1596519224749193
Energy: 1.1894804395451948
Energy: 1.217247140134337
Energy: 1.0979768638918117
Energy: 1.143504358201613
Energy: 1.1839606528848345
Energy: 1.0762975532976027
Energy: 1.0979768638918117
Energy: 1.1435043582024154
Energy: 1.1839606528848345
Energy: 1.0688422792071044
Energy: 1.1486616455610739
Energy: 1.2519968007969196
Energy: 1.1211718935922512
Energy: 1.068842279206302
Energy: 1.148661645562679
Energy: 1.2519968007969196
Energy: 1.1162892998242375
Energy: 1.0737045348466903
Energy: 1.2247908795862568
Energy: 1.1399128012124513
Energy: 1.11628929982504
Energy: 1.0737045348470915
Energy: 1.224790879586658
Energy: 1.1471544089738097
Energy: 1.1234277006726532
Energy: 1.262450168287957
Energy: 1.1549897815932326
Energy: 1.1471544089734085
Energy: 1.1234277006718507
Energy: 1.2624501682887594
Energy: 1.137451618063559
Energy: 1.0700681237510796
Energy: 1.2054497765881422
Energy: 1.1227321779733235
Energy: 1.137451618063559
Energy: 1.0700681237518823
Energy: 1.2054497765877408
Energy: 1.1300958439150166
Energy: 1.2261256814692336
Energy: 1.303185120882187
Energy: 1.1126108593049513
Energy: 1.1300958439150166
Energy: 1.22612568146803
Energy: 1.3031851208817857
Energy: 1.090110257720901
Energy: 1.1292639174124282
Energy: 1.252519257900808
Energy: 1.1007584726554187
Energy: 1.0901102577204997
Energy: 1.1292639174120267
Energy: 1.2525192579012092
Energy: 1.111617885626188
Energy: 1.1156365408665987
Energy: 1.2168755335261172
Energy: 1.1125439925638383
Energy: 1.111617885627392
Energy: 1.1156365408674012
Energy: 1.2168755335265184
Energy: 1.125963225072684
Energy: 1.1490654094727495
Energy: 1.2716879400702432
Energy: 1.0811586020091615
Energy: 1.125963225071079
Energy: 1.149065409473151
Energy: 1.2716879400710457
Energy: 1.1356151883683538
Energy: 1.1310284939937245
Energy: 1.2564293484266944
Energy: 1.0625822509887424
Energy: 1.1356151883679528
Energy: 1.1310284939929218
Energy: 1.2564293484270956
Energy: 1.163541984850647
Energy: 1.0985226092942997
Energy: 1.3561167644517478
Energy: 1.118229521419477
Energy: 1.163541984850647
Energy: 1.0985226092942997
Energy: 1.3561167644517478
Energy: 1.110544005243085
Energy: 1.162145287555855
Energy: 1.22087351968357
Energy: 1.0817509797374225
Energy: 1.110544005243085
Energy: 1.1621452875554539
Energy: 1.2208735196831688
Energy: 1.1534769721944094
Energy: 1.0923446195014348
Energy: 1.2684744078899144
Energy: 1.0962100093276612
Energy: 1.1534769721940081
Energy: 1.0923446195014348
Energy: 1.2684744078903154
Energy: 1.1437991250531356
Energy: 1.1091739581032656
Energy: 1.1855954912912379
Energy: 1.1691599046187664
Energy: 1.1437991250539383
Energy: 1.1091739581032656
Energy: 1.1855954912920406
Energy: 1.2529914896389795
Energy: 1.1008858982767808
Energy: 1.2594321314879597
Energy: 1.130655126160951
Energy: 1.252991489638177
Energy: 1.1008858982767808
Energy: 1.2594321314879597
Energy: 1.1641516469849922
Energy: 1.1518433443278664
Energy: 1.1809136045410937
Energy: 1.1205635989251868
Energy: 1.1641516469849922
Energy: 1.1518433443274652
Energy: 1.1809136045414947
Energy: 1.127934294706531
Energy: 1.1243128555714195
Energy: 1.2831449123071215
Energy: 1.1149350601510901
Energy: 1.1279342947057283
Energy: 1.1243128555722222
Energy: 1.28314491230672
Energy: 1.105585478150567
Energy: 1.0744353778467004
Energy: 1.2623879083773528
Energy: 1.088510680388663
Energy: 1.1055854781497645
Energy: 1.0744353778471019
Energy: 1.2623879083769518
Energy: 1.1263351331204183
Energy: 1.1189360486095379
Energy: 1.2794093256438637
Energy: 1.1573969864113978
Energy: 1.1263351331208198
Energy: 1.1189360486091364
Energy: 1.2794093256442651
Energy: 1.123187598209931
Energy: 1.0820797183533224
Energy: 1.2230773100981625
Energy: 1.1308558187596882
Energy: 1.1231875982091286
Energy: 1.0820797183529212
Energy: 1.2230773100985637
Energy: 1.1348318049111057
Energy: 1.180161479625224
Energy: 1.218960829610272
Energy: 1.1069161202664624
Energy: 1.1348318049111057
Energy: 1.1801614796248225
Energy: 1.218960829608266
Energy: 1.1162528575490624
Energy: 1.118451816592069
Energy: 1.2926357368458756
Energy: 1.082603282720145
Energy: 1.116252857549464
Energy: 1.1184518165916677
Energy: 1.2926357368466779
Energy: 1.1141007099728961
Energy: 1.1086429888934561
Energy: 1.2577074759902482
Energy: 1.0911396001331986
Energy: 1.1141007099728961
Energy: 1.1086429888946598
Energy: 1.2577074759918534
Energy: 1.1138968142085317
Energy: 1.0960015280277067
Energy: 1.286115247740794
Energy: 1.1530917064012847
Energy: 1.1138968142085317
Energy: 1.0960015280273054
Energy: 1.2861152477403925

minimum gb energy = 1.0625822509887424 eV
minimum distance =  2.28748966836432 Angstroms
sigma value = 39


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

Energy: 1.0603977539768394
Energy: 1.0861937940180342
Energy: 1.2561139550747298
Energy: 1.086102670648246
Energy: 1.0603977539777867
Energy: 1.0861937940161397
Energy: 1.1553189311195349
Energy: 1.0464729129736057
Energy: 1.1195160766334022
Energy: 1.0997704625144353
Energy: 1.1156300117877904
Energy: 1.046472912973132
Energy: 1.1195160766367174
Energy: 1.0997704625158562
Energy: 1.0645563676370662
Energy: 1.0074927795107842
Energy: 1.2771826302537466
Energy: 1.0419341590706728
Energy: 1.064556367632804
Energy: 1.0074927795107842
Energy: 1.2771826302537466
Energy: 1.0724238297129927
Energy: 1.0974450858616416
Energy: 1.1153839372548566
Energy: 1.150455561974099
Energy: 1.07242382971394
Energy: 1.0974450858616416
Energy: 1.115383937254383
Energy: 1.101936370313765
Energy: 1.0579553317135943
Energy: 1.0401307365725256
Energy: 1.040831633891358
Energy: 1.1019363703118707
Energy: 1.0579553317150152
Energy: 1.0401307365692103
Energy: 1.0544709005878765
Energy: 1.06394002512065
Energy: 1.185312880230889
Energy: 1.20095023708735
Energy: 1.0544709005878765
Energy: 1.06394002512065
Energy: 1.1853128802323096
Energy: 1.2006360689781692
Energy: 1.0409309553760528
Energy: 1.1086572201933718
Energy: 1.042101250708528
Energy: 1.2006360689786426
Energy: 1.0409309553755794
Energy: 1.065631784341711
Energy: 1.0801899018680083
Energy: 1.0954962804284196
Energy: 1.1848971714260204
Energy: 1.0954753407355557
Energy: 1.0801899018675345
Energy: 1.0954962804284196
Energy: 1.184897171423179
Energy: 1.200680980591531
Energy: 1.041737873614997
Energy: 1.1881407936903592
Energy: 1.0409957816116713
Energy: 1.2006809805920047
Energy: 1.0417378736154705
Energy: 1.1625652002046338
Energy: 1.0550169734540835
Energy: 1.200883350434653
Energy: 1.1851397245189235
Energy: 1.0638729072859319
Energy: 1.0550169734545574
Energy: 1.2008833504341794
Energy: 1.1851397245189235
Energy: 1.1018785932326616
Energy: 1.0410513528436809
Energy: 1.3840770943528755
Energy: 1.057889228986667
Energy: 1.1018785932326616
Energy: 1.0410513528427336
Energy: 1.3987582273578496
Energy: 1.0560512755346354
Energy: 1.150144519815154
Energy: 1.1155281629406677
Energy: 1.099494336973351
Energy: 1.0560512755322673
Energy: 1.150144519815154
Energy: 1.1155281629411413
Energy: 1.0636948281957457
Energy: 1.0418196946042588
Energy: 1.175876170611412
Energy: 1.0076751033336522
Energy: 1.0636948281947982
Energy: 1.0418196946033116
Energy: 1.1758761706133063
Energy: 1.0463624043603812
Energy: 1.1153808735021118
Energy: 1.0997449991317
Energy: 1.119692678157466
Energy: 1.0463624043618018
Energy: 1.115380873503059
Energy: 1.0997449991350152
Energy: 1.0603977539792075
Energy: 1.0861937940185078
Energy: 1.2889761302731462
Energy: 1.086102670646825
Energy: 1.0603977539782603
Energy: 1.0861937940166133
Energy: 1.212812357604242
Energy: 1.0464729129736057
Energy: 1.1195160766338759
Energy: 1.099770462513488
Energy: 1.1156300117877904
Energy: 1.046472912973132
Energy: 1.1195160766357704
Energy: 1.099770462514909
Energy: 1.064556367636119
Energy: 1.0074927795107842
Energy: 1.277182630253273
Energy: 1.0419341590697255
Energy: 1.064556367632804
Energy: 1.0074927795107842
Energy: 1.277182630253273
Energy: 1.0724238297134663
Energy: 1.0974450858606943
Energy: 1.1153839372548566
Energy: 1.1504555619736254
Energy: 1.07242382971394
Energy: 1.0974450858616416
Energy: 1.115383937253436
Energy: 1.101936370312818
Energy: 1.0579553317135943
Energy: 1.0401307365748935
Energy: 1.0408316338923052
Energy: 1.1019363703113971
Energy: 1.0579553317145418
Energy: 1.0401307365696837
Energy: 1.0544709005883501
Energy: 1.0639400251211235
Energy: 1.185312880230889
Energy: 1.20095023708735
Energy: 1.0544709005878765
Energy: 1.0639400251197026
Energy: 1.1853128802332569
Energy: 1.2006360689776954
Energy: 1.0409309553755794
Energy: 1.0901924792223336
Energy: 1.042101250708528
Energy: 1.2006360689786426
Energy: 1.0409309553760528
Energy: 1.0724366419869427
Energy: 1.080189901867061
Energy: 1.0954962804284196
Energy: 1.184897171425547
Energy: 1.0954753407346085
Energy: 1.080189901867061
Energy: 1.095496280427946
Energy: 1.184897171423179
Energy: 1.2006809805920047
Energy: 1.0417378736140497
Energy: 1.2085721677410255
Energy: 1.0409957816116713
Energy: 1.200680980591531
Energy: 1.0417378736154705
Energy: 1.1918107328679688
Energy: 1.0550169734540835
Energy: 1.2008833504351266
Energy: 1.18513972451845
Energy: 1.063872907284511
Energy: 1.055016973455031
Energy: 1.2008833504341794
Energy: 1.18513972451845
Energy: 1.1018785932331352
Energy: 1.0410513528451018
Energy: 1.3494247813595042
Energy: 1.057889228986667
Energy: 1.101878593232188
Energy: 1.0410513528436809
Energy: 1.3494247813613984
Energy: 1.0560512755346354
Energy: 1.150144519815154
Energy: 1.1155281629411413
Energy: 1.099494336972404
Energy: 1.056051275532741
Energy: 1.150144519815628
Energy: 1.1155281629416152
Energy: 1.063694828195272
Energy: 1.0418196946042588
Energy: 1.1243165316012036
Energy: 1.0076751033336522
Energy: 1.0636948281962193
Energy: 1.041819694602838
Energy: 1.1243165316102017
Energy: 1.0463624043599073
Energy: 1.1153808735016382
Energy: 1.099744999132174
Energy: 1.1196926781569925
Energy: 1.0463624043618018
Energy: 1.1153808735025854
Energy: 1.0997449991350152
Energy: 1.0603977539768394
Energy: 1.0861937940180342
Energy: 1.2889761302745666
Energy: 1.086102670648246
Energy: 1.060397753978734
Energy: 1.086193794015666
Energy: 1.2237630090828469
Energy: 1.0464729129740793
Energy: 1.1195160766338759
Energy: 1.0997704625144353
Energy: 1.1156300117877904
Energy: 1.046472912973132
Energy: 1.1195160766367174
Energy: 1.0997704625158562

minimum gb energy = 1.0074927795107842 eV
minimum distance =  2.3142529082417 Angstroms
sigma value = 21


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

Energy: 1.0717172375189468
Energy: 1.220024607041452
Energy: 1.1258743099873036
Energy: 1.2149843292607123
Energy: 1.0717172375189468
Energy: 1.220024607042027
Energy: 1.1258743099884536
Energy: 1.1213992541257314
Energy: 1.1019833883219279
Energy: 1.1515362888080605
Energy: 1.020375960982986
Energy: 1.1213992541263063
Energy: 1.1019833883225025
Energy: 1.1515362888086353
Energy: 1.0796547669543808
Energy: 1.1242120099853266
Energy: 1.1618342410917728
Energy: 1.0203878824429384
Energy: 1.079654766953231
Energy: 1.124212009984752
Energy: 1.161834241092348
Energy: 1.181764025900479
Energy: 1.0684917966138843
Energy: 1.2083283516652243
Energy: 1.0429147448492984
Energy: 1.1817640259010538
Energy: 1.0684917966156091
Energy: 1.2083283516652243
Energy: 1.0399204845217744
Energy: 1.1001812733586565
Energy: 1.0880458376290398
Energy: 1.1265885130694784
Energy: 1.0399204845217744
Energy: 1.1001812733586565
Energy: 1.0880458376296147
Energy: 1.1818630537098263
Energy: 1.0509935862346138
Energy: 1.1760406866054085
Energy: 1.0685934912986115
Energy: 1.1818630537104013
Energy: 1.0509935862340387
Energy: 1.1760406866054085
Energy: 1.0721858377833924
Energy: 1.1533586594074527
Energy: 1.1132742851439033
Energy: 1.0786842376496868
Energy: 1.0721858377839673
Energy: 1.1533586594074527
Energy: 1.1063844572170392
Energy: 1.0478445541422043
Energy: 1.1121186555026636
Energy: 1.183854568982005
Energy: 1.0626375757697701
Energy: 1.0478445541422043
Energy: 1.1121186555015137
Energy: 1.18385456898258
Energy: 1.1207960757480242
Energy: 1.058269654157749
Energy: 1.1284126380511819
Energy: 1.153267168591749
Energy: 1.1207960757474493
Energy: 1.058269654157749
Energy: 1.128412638050607
Energy: 1.0396268394580779
Energy: 1.0944069256568558
Energy: 1.0727502869382566
Energy: 1.1152428109150372
Energy: 1.0396268394563533
Energy: 1.094406925654556
Energy: 1.0727502869388315
Energy: 1.1610392840910904
Energy: 1.1459031400874429
Energy: 1.0603356769963128
Energy: 1.0226438590234739
Energy: 1.1610392840899402
Energy: 1.1459031400874429
Energy: 1.0603356769957382
Energy: 1.0323256141210195
Energy: 1.1991873579144703
Energy: 1.1283685665468932
Energy: 1.1184274213673318
Energy: 1.0323256141210195
Energy: 1.1991873579161954
Energy: 1.1283685665463183
Energy: 1.1603788197864209
Energy: 1.1452602300060408
Energy: 1.2377039963142984
Energy: 1.0733602452887174
Energy: 1.1603788197864209
Energy: 1.145260230005466
Energy: 1.2377039963131484
Energy: 1.0349702880976421
Energy: 1.0802418016416648
Energy: 1.04843778869757
Energy: 1.1570105836992646
Energy: 1.0349702880976421
Energy: 1.0802418016422397
Energy: 1.04843778869642
Energy: 1.1664536113020074
Energy: 1.0819005685240126
Energy: 1.1964288121262
Energy: 1.0237152412339328
Energy: 1.1664536113025823
Energy: 1.0819005685240126
Energy: 1.196428812125625
Energy: 0.9953673488672449
Energy: 1.1275703634841285
Energy: 1.1969090253715902
Energy: 1.1190409235411354
Energy: 0.9953673488672449
Energy: 1.1275703634841285
Energy: 1.1969090253715902
Energy: 1.159126150933757
Energy: 1.003625349668296
Energy: 1.1913729770695711
Energy: 1.0237111560886518
Energy: 1.1591261509343318
Energy: 1.003625349669446
Energy: 1.191372977071296
Energy: 0.9935628209002858
Energy: 1.0754065745349033
Energy: 1.0426877172891968
Energy: 1.1088561053637236
Energy: 0.9935628209002858
Energy: 1.0754065745349033
Energy: 1.0426877172891968
Energy: 1.0891705258195803
Energy: 1.0686219919064504
Energy: 1.1738573965585293
Energy: 1.0432665351086359
Energy: 1.0891705258190054
Energy: 1.0686219919058753
Energy: 1.1738573965591044
Energy: 0.9906720160186271
Energy: 1.1382692653485273
Energy: 1.0358350863133348
Energy: 1.1383447582742607
Energy: 0.9906720160192021
Energy: 1.138269265349677
Energy: 1.0358350863133348
Energy: 1.0892233485067477
Energy: 1.0494769855816146
Energy: 1.1741764675987525
Energy: 1.0684888193184512
Energy: 1.0892233485055978
Energy: 1.0494769855827646
Energy: 1.1741764675981776
Energy: 0.9935964220986744
Energy: 1.108898033800864
Energy: 1.042633280626031
Energy: 1.0778854196139078
Energy: 0.9935964220975245
Energy: 1.1088980338020138
Energy: 1.0426332806254561
Energy: 1.1589987412362006
Energy: 1.0236337215284177
Energy: 1.290614888759427
Energy: 1.0036428982936916
Energy: 1.1589987412350768
Energy: 1.0236337215289926
Energy: 1.290614888759427
Energy: 0.996668311670212
Energy: 1.1193161782457883
Energy: 1.1974143690701091
Energy: 1.1275676128399363
Energy: 0.9966683116696371
Energy: 1.1193161782457883
Energy: 1.1974143690701091
Energy: 1.1675124172308584
Energy: 1.023720921135447
Energy: 1.2240234063130122
Energy: 1.0822205216757157
Energy: 1.1675124172302835
Energy: 1.0237209211360219
Energy: 1.2240234063130122

minimum gb energy = 0.9906720160186271 eV
minimum distance =  2.30285597271829 Angstroms
sigma value = 113


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

Energy: 1.1599164550808079
Energy: 1.1646600442381554
Energy: 1.1585786489283338
Energy: 1.1769652097508165
Energy: 1.1599164550840164
Energy: 1.1646600442413642
Energy: 1.1585786489283338
Energy: 1.1428713694258998
Energy: 1.1500236501419046
Energy: 1.2089063153628619
Energy: 1.2018694861775305
Energy: 1.1428713694258998
Energy: 1.1500236501386958
Energy: 1.208906315359653
Energy: 1.141495399173434
Energy: 1.1674811441190702
Energy: 1.1566225156424743
Energy: 1.1338108815498333
Energy: 1.1414953991702252
Energy: 1.1674811441190702
Energy: 1.1566225156424743
Energy: 1.0851485790846935
Energy: 1.1495632592602396
Energy: 1.2334125830409044
Energy: 1.1477593698510298
Energy: 1.0851485790879023
Energy: 1.1495632592602396
Energy: 1.233412583044113
Energy: 1.141328032460417
Energy: 1.0806635561780753
Energy: 1.1048321973031772
Energy: 1.0999029223458254
Energy: 1.141328032460417
Energy: 1.0806635561748665
Energy: 1.1048321973031772
Energy: 1.053983105585457
Energy: 1.13733419715886
Energy: 1.1649520567014984
Energy: 1.1333265124035212
Energy: 1.053983105588666
Energy: 1.13733419715886
Energy: 1.1649520567014984
Energy: 1.138453130392687
Energy: 1.063243421189467
Energy: 1.1365734194140673
Energy: 1.0863832128928106
Energy: 1.138453130392687
Energy: 1.063243421189467
Energy: 1.1365734194140673
Energy: 1.0451026906217629
Energy: 1.1259443386490933
Energy: 1.23838669225285
Energy: 1.1335855771560988
Energy: 1.045102690618554
Energy: 1.1259443386490933
Energy: 1.2383866922464328
Energy: 1.1236515072115025
Energy: 1.0692032816904333
Energy: 1.1862396780258386
Energy: 1.0716831334957027
Energy: 1.1236515072115025
Energy: 1.0692032816904333
Energy: 1.1862396780226299
Energy: 1.0518465458552744
Energy: 1.107113181744786
Energy: 1.2597514819442914
Energy: 1.1397750220686558
Energy: 1.0518465458552744
Energy: 1.107113181744786
Energy: 1.2597514819442914
Energy: 1.129360504865546
Energy: 1.1351905196440855
Energy: 1.258894650772386
Energy: 1.1230808861099866
Energy: 1.1293605048623376
Energy: 1.135190519647294
Energy: 1.2588946507691772
Energy: 1.0623145958589415
Energy: 1.1183662985482863
Energy: 1.3054105725707947
Energy: 1.113128605355216
Energy: 1.0623145958589415
Energy: 1.1183662985482863
Energy: 1.3054105725707947
Energy: 1.1280921155447505
Energy: 1.1264293483087207
Energy: 1.272637007311031
Energy: 1.124775647920995
Energy: 1.1280921155415418
Energy: 1.1264293483119294
Energy: 1.2726370073142395
Energy: 1.1302298174819996
Energy: 1.203851060701178
Energy: 1.3049103883232471
Energy: 1.213431691765093
Energy: 1.1302298174819996
Energy: 1.2038510607043866
Energy: 1.3049103883232471
Energy: 1.1281638363530349
Energy: 1.1343038201111386
Energy: 1.3197073033608366
Energy: 1.1752451761129334
Energy: 1.1281638363562436
Energy: 1.1343038201143474
Energy: 1.319707303363987
Energy: 1.1344086438821048
Energy: 1.130015626370497
Energy: 1.2602285213129816
Energy: 1.1947278651079414
Energy: 1.1344086438788963
Energy: 1.1300156263737056
Energy: 1.2602285213129816
Energy: 1.1355938240501262
Energy: 1.1243476134616122
Energy: 1.340236035746948
Energy: 1.102796309169474
Energy: 1.1355938240469174
Energy: 1.1243476134616122
Energy: 1.340236035746948
Energy: 1.065056804358218
Energy: 1.1144007571317283
Energy: 1.1373228789906322
Energy: 1.1809477094270107
Energy: 1.0650568043550679
Energy: 1.1144007571317283
Energy: 1.1373228789874237
Energy: 1.1406021887795286
Energy: 1.1442404001266544
Energy: 1.303249801053619
Energy: 1.1691539031822717
Energy: 1.1406021887795286
Energy: 1.1442404001266544
Energy: 1.303249801053619
Energy: 1.0910000879392419
Energy: 1.117423867784139
Energy: 1.1570901405846397
Energy: 1.116365441364081
Energy: 1.0910000879424504
Energy: 1.117423867784139
Energy: 1.1570901405878484
Energy: 1.0974373422603887
Energy: 1.1012923076961938
Energy: 1.2307443090318924
Energy: 1.175343544462336
Energy: 1.0974373422603887
Energy: 1.1012923076961938
Energy: 1.2307443090318924
Energy: 1.0744973903441313
Energy: 1.0740401595015314
Energy: 1.1427171262366815
Energy: 1.0713115809175544
Energy: 1.0744973903441313
Energy: 1.074040159495114
Energy: 1.1427171262366815
Energy: 1.0928413982814391
Energy: 1.1262646476263083
Energy: 1.1533758426265865
Energy: 1.1565326466345014
Energy: 1.0928413982814391
Energy: 1.1262646476295166
Energy: 1.1533758426297949
Energy: 1.0866363969161408
Energy: 1.079331895563885
Energy: 1.1752768496641544
Energy: 1.0944783906303097
Energy: 1.0866363969193495
Energy: 1.079331895563885
Energy: 1.1752768496641544
Energy: 1.1180451798525468
Energy: 1.1466476294978811
Energy: 1.1637686245919638
Energy: 1.1980794705365185
Energy: 1.1180451798525468
Energy: 1.14664762950109
Energy: 1.1637686245887553
Energy: 1.0433810360105302
Energy: 1.1665962333699715
Energy: 1.2086558072744682
Energy: 1.1458707739227778
Energy: 1.0433810360105302
Energy: 1.1665962333699715
Energy: 1.2086558072744682
Energy: 1.2042439006790315
Energy: 1.13564852395416
Energy: 1.1344534160209279
Energy: 1.2203081606462765
Energy: 1.2042439006790315
Energy: 1.1356485239573686
Energy: 1.1344534160241366
Energy: 1.0768276154620449
Energy: 1.198483567010847
Energy: 1.1868228044560136
Energy: 1.2036851982381995
Energy: 1.0768276154620449
Energy: 1.198483567010847
Energy: 1.1868228044560136
Energy: 1.211595983531577
Energy: 1.1238617949322345
Energy: 1.1531900650326434
Energy: 1.212071334541733
Energy: 1.211595983531577
Energy: 1.1238617949322345
Energy: 1.1531900650294347
Energy: 1.0565258203484948
Energy: 1.136120332657774
Energy: 1.1776507966531442
Energy: 1.1527909682030897
Energy: 1.0565258203484948
Energy: 1.1361203326545655
Energy: 1.1776507966499357
Energy: 1.1490955878639382
Energy: 1.113726913015675
Energy: 1.194948930827108
Energy: 1.1745881841456565
Energy: 1.1490955878607294
Energy: 1.113726913015675
Energy: 1.194948930827108
Energy: 1.058474302525295
Energy: 1.0857230532714186
Energy: 1.142280192957331
Energy: 1.1265401184106951
Energy: 1.0584743025285035
Energy: 1.0857230532714186
Energy: 1.142280192957331
Energy: 1.1020031995347739
Energy: 1.0838667115661618
Energy: 1.1883252872650245
Energy: 1.1511693259360614
Energy: 1.1020031995347739
Energy: 1.0838667115661618
Energy: 1.1883252872618162
Energy: 1.0688483709699563
Energy: 1.0738832199425017
Energy: 1.1224366965267152
Energy: 1.0907633043127551
Energy: 1.0688483709699563
Energy: 1.0738832199425017
Energy: 1.1224366965235066
Energy: 1.060158165569739
Energy: 1.042354709493459
Energy: 1.240710617425313
Energy: 1.1600887812785434
Energy: 1.0601581655729473
Energy: 1.0423547094966679
Energy: 1.240710617425313
Energy: 1.0602230161963073
Energy: 1.0258710815844396
Energy: 1.1041272178046673
Energy: 1.0546360281969611
Energy: 1.0602230161995156
Energy: 1.0258710815812309
Energy: 1.1041272178046673
Energy: 1.0750806388615395
Energy: 1.0832825613738155
Energy: 1.2190404123282024
Energy: 1.154455208900857
Energy: 1.0750806388615395
Energy: 1.0832825613770238
Energy: 1.2190404123282024
Energy: 1.081903424449955
Energy: 1.0266762931640465
Energy: 1.2101695928441971
Energy: 1.1056280846229483
Energy: 1.0819034244467463
Energy: 1.0266762931672553
Energy: 1.2101695928441971
Energy: 1.0811890453320054
Energy: 1.1080929530452677
Energy: 1.3251675348933878
Energy: 1.1470533047376281
Energy: 1.0811890453352138
Energy: 1.1080929530452677
Energy: 1.3251675348933878
Energy: 1.080728134721315
Energy: 1.1183044618228801
Energy: 1.1690191244281964
Energy: 1.1151285434833058
Energy: 1.080728134721315
Energy: 1.1183044618196714
Energy: 1.1690191244281964
Energy: 1.1535392619417266
Energy: 1.1078639093230371
Energy: 1.3417515044902137
Energy: 1.199931642590785
Energy: 1.1535392619417266
Energy: 1.107863909326246
Energy: 1.341751504487005
Energy: 1.080978343709813
Energy: 1.1453740233866037
Energy: 1.247902814479845
Energy: 1.1751746992031022
Energy: 1.080978343709813
Energy: 1.1453740233866037
Energy: 1.247902814479845
Energy: 1.1523370695438837
Energy: 1.1076944740451264
Energy: 1.2799905872840036
Energy: 1.2159592673529291
Energy: 1.1523370695438837
Energy: 1.107694474041918
Energy: 1.279990587280795
Energy: 1.117321523804916
Energy: 1.1387921392182272
Energy: 1.2784250220154372
Energy: 1.1039929326429783
Energy: 1.1173215238017074
Energy: 1.1387921392182272
Energy: 1.2784250220154372
Energy: 1.0761426423062734
Energy: 1.1106943192496028
Energy: 1.239545500121498
Energy: 1.1531530732592785
Energy: 1.0761426423062734
Energy: 1.1106943192496028
Energy: 1.2395455001182891

minimum gb energy = 1.0258710815812309 eV
minimum distance =  2.28386782555153 Angstroms
sigma value = 365


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

Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 1.0147328941036644
Energy: 1.153618467635519
Energy: 1.1533460540958729
Energy: 1.153618467635519
Energy: 0.9480647686409461
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 1.03164586133915
Energy: 1.153618467635519
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 0.9480647686575849
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 1.2286652924352182
Energy: 1.1536184676362427
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.9480647686741909
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 1.01457740698463
Energy: 1.1536184676347956
Energy: 1.1533460540958729
Energy: 1.153618467635519
Energy: 0.9480647685708063
Energy: 1.1533460540987668
Energy: 1.1536184676347956
Energy: 0.9937848156967851
Energy: 1.153618467635519
Energy: 1.1533460540987668
Energy: 1.1536184676369658
Energy: 0.9480647686633394
Energy: 1.1533460540980434
Energy: 1.1536184676362427
Energy: 1.2661616332168173
Energy: 1.1536184676369658
Energy: 1.1533460540994902
Energy: 1.1536184676362427
Energy: 0.9480647686517975
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.9340113450534274
Energy: 1.153618467635519
Energy: 1.1533460540958729
Energy: 1.1536184676347956
Energy: 0.948064768724831
Energy: 1.1533460540987668
Energy: 1.1536184676347956
Energy: 0.9937848156577527
Energy: 1.153618467635519
Energy: 1.1533460540987668
Energy: 1.1536184676369658
Energy: 0.9480647686611692
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 1.2661616332160939
Energy: 1.1536184676369658
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.948064768672744
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.9443277277057299
Energy: 1.153618467635519
Energy: 1.1533460540958729
Energy: 1.153618467635519
Energy: 0.9198965344466705
Energy: 1.1533460540987668
Energy: 1.1536184676347956
Energy: 1.0316458615546331
Energy: 1.153618467635519
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 0.9480647686489038
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 0.9786261825122998
Energy: 1.1536184676369658
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 0.9480647686286477
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 0.9480647686322649
Energy: 1.1536184676347956
Energy: 1.1533460540958729
Energy: 1.153618467635519
Energy: 0.9480647686517975
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.9480647687241075
Energy: 1.153618467635519
Energy: 1.1533460540987668
Energy: 1.1536184676369658
Energy: 0.9480647687175967
Energy: 1.1533460540980434
Energy: 1.1536184676362427
Energy: 1.2852807932528971
Energy: 1.1536184676369658
Energy: 1.1533460540987668
Energy: 1.1536184676347956
Energy: 0.9480647686720205
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.9480647686062215
Energy: 1.153618467635519
Energy: 1.1533460540958729
Energy: 1.153618467635519
Energy: 0.94806476859537
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.9480647686741909
Energy: 1.153618467635519
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 0.9480647686416694
Energy: 1.1533460540980434
Energy: 1.1536184676362427
Energy: 0.9480647686807018
Energy: 1.1536184676362427
Energy: 1.1533460540987668
Energy: 1.1536184676362427
Energy: 0.9480647687407134
Energy: 1.1533460540987668
Energy: 1.153618467635519
Energy: 0.9480647687334792
Energy: 1.153618467635519
Energy: 1.1533460540965965
Energy: 1.1536184676347956
Energy: 0.9480647686951703
Energy: 1.1533460540987668
Energy: 1.1536184676347956
Energy: 0.9480647687356495
Energy: 1.153618467635519
Energy: 1.1533460540987668
Energy: 1.1536184676369658
Energy: 0.9480647686503506

minimum gb energy = 0.9198965344466705 eV
minimum distance =  2.38654463645663 Angstroms
sigma value = 23