Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.158251941204071
cohesive_energy=6.380583344111484
mass=95.95
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=[2.1436963145256598e-19, 3.22388380116846e-19, 4.1129476371414e-19, 4.864704935580539e-19, 5.51441960420022e-19, 6.09746770307916e-19, 6.6340526795721e-19, 7.1158592369485795e-19, 7.55405454634758e-19, 7.9474850405926185e-19, 8.30030035716576e-19, 8.6158650669984e-19, 8.89699900096638e-19, 9.146025315189e-19, 9.3649627522251e-19, 9.555557684605739e-19, 9.719332180133219e-19, 9.857616045413759e-19, 9.971594891156519e-19, 1.006232615393994e-18, 1.0132677729938879e-18, 1.018277779328406e-18, 1.021232193041502e-18, 1.022201509905072e-18, 1.0211472776799e-18, 1.017707404446702e-18, 1.0114124524517159e-18, 1.0016888424599698e-18, 9.87849240695478e-19, 9.690525044253899e-19, 9.442684340740439e-19, 9.13303166268726e-19, 8.74121936684256e-19, 8.246867766421859e-19, 7.63832903729598e-19, 6.873017324533199e-19, 5.912688671879939e-19, 4.70804410430802e-19, 3.1948523605603796e-19, 1.2882589617471118e-19, -1.1190002156014498e-19, -4.1638007235045597e-19, -8.07383268994986e-19, -1.3141661579188918e-18, -1.9748108755357197e-18, -2.85485445705924e-18, -4.04831583172584e-18, -5.700816833799779e-18, -8.04927132215064e-18, -1.148994564366564e-17, -1.6773988269662998e-17, -2.53538043623964e-17, -4.0426921917404994e-17, -7.00540517980062e-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: 0.0197424088777306
Energy: 0.042197332542853475
Energy: -0.26315818439671035
Energy: 0.030904098422718292
Energy: 0.03442849991730014
Energy: -0.25747281527856486
Energy: 0.042991885845333755
Energy: 0.020512746138714608
Energy: 0.32166682857212886
Energy: 0.20172622531000234
Energy: 0.19798421078582956
Energy: -0.2545506983461909
Energy: 0.3314253984633898
Energy: 0.19492790549914601
Energy: 0.20159575822226558
Energy: 0.2194008031994503
Energy: 0.32259342840981636
Energy: 0.1998591374429199
Energy: 0.20707170073274944
Energy: 0.32243599482798235
Energy: 0.19616356445900152
Energy: 0.20425126568386914
Energy: 0.21931881317265908
Energy: 0.32065396271783597
Energy: 0.21076248687381505
Energy: 0.20571949073825146
Energy: 0.32216940259935883
Energy: 0.20199943239783838
Energy: 0.20268053046316623
Energy: 0.32100611447239336
Energy: 0.5200599721504137
Energy: 0.1995156512553085
Energy: 0.20319369466287737
Energy: 0.3211093649004517
Energy: 0.19618725201015566
Energy: 0.020653581862648932
Energy: -0.2546272260222867
Energy: 0.20096666328268453
Energy: 0.027912464934237134
Energy: 0.031008025125821542
Energy: 0.3215846224436213
Energy: 0.19660891911950856

minimum gb energy = -0.26315818439671035 eV
minimum distance =  2.69208159178029 Angstroms
sigma value = 5


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

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Energy: -0.4730697031435149

minimum gb energy = -1.1500269861138492 eV
minimum distance =  2.5739181529772 Angstroms
sigma value = 401


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

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Energy: 0.29806277747559223
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Energy: 0.23388660674213116
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Energy: 0.1437182559459483
Energy: 0.5628529791202223
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Energy: -0.5347829024282826
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Energy: 0.2405568166187675
Energy: 0.7846805125280046
Energy: 0.21002469960734116
Energy: 0.4821971659502315
Energy: 0.039033689535425055
Energy: 0.6369273364696122
Energy: 0.32549167809593743
Energy: 0.19041282365884316
Energy: 0.3446952698023658
Energy: 0.8117483615666607
Energy: 0.06920040028070547
Energy: 0.6570275990314964
Energy: 0.17086689600316568
Energy: 0.37384108604791066
Energy: 0.07411763354239334
Energy: -0.2878727975642671
Energy: 0.5031710439200968
Energy: -0.199870263581375
Energy: 0.3536746841509668
Energy: 0.36245981401007443
Energy: -0.07841047338941431
Energy: -0.02159377215785334
Energy: 0.23480681381975227
Energy: 0.42529353015394145

minimum gb energy = -0.6063114191451384 eV
minimum distance =  2.50045432692857 Angstroms
sigma value = 311


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

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Energy: 0.9911137138267305
Energy: 1.1057616094975122
Energy: 0.9584726946348027
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Energy: 0.9239083092725435
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Energy: 0.5526112510942548
Energy: 0.7708653089496996
Energy: 0.6304942025328785
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Energy: 0.7922224112793819
Energy: 0.762838149189796
Energy: 0.7173638119636497
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Energy: 0.8559924326126527
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Energy: 0.4430134274750481
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Energy: 0.6434072004983148
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Energy: 0.9053244206941882
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Energy: 1.089788347073534
Energy: 1.0043071552607477
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Energy: 1.0398584775291688
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Energy: 0.8678577351869904
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Energy: 0.013725090937948797
Energy: 0.7530725535602227
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Energy: -0.08554038458947584
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Energy: 0.9137078956646586
Energy: 0.9596796193054674
Energy: 0.8492680841970145
Energy: 0.6940435147981299
Energy: 0.3721283773975583
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Energy: 0.34588420970614814
Energy: 0.8720785500299322
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Energy: 1.0295627858146637
Energy: 1.0053489962029385
Energy: 0.9266051307210742
Energy: 0.9586778167422038
Energy: 0.28525306758219415
Energy: -0.40937270275355175
Energy: 1.0219620031904393
Energy: -0.4426616396443076
Energy: 0.06468904290061873
Energy: -0.38317223296282116
Energy: 1.0024960665470948
Energy: -0.1443657683294424
Energy: 0.6495486115623155
Energy: -0.41460910017551406
Energy: 0.7746171887938259
Energy: -0.4847204267992579
Energy: 0.9297734790219159
Energy: 0.6209817652147014
Energy: 0.773861555103476
Energy: 0.9260334245640827
Energy: 0.9679958200730863
Energy: 1.0662872674772488
Energy: 0.7476330101731012
Energy: 0.6171813585177339
Energy: 0.8162402072611499
Energy: 1.0442094277023704
Energy: 0.3851983896494267
Energy: 0.38172707498776887
Energy: 0.9472184726772107
Energy: 0.6220045381758458
Energy: 0.9284064140684868
Energy: 0.5421267879196965
Energy: 0.8735140004763365
Energy: 0.8390738794939473
Energy: 0.5692207374937356
Energy: 0.9666492023463865
Energy: 0.9690823752705391
Energy: 1.0329331329056526
Energy: 1.037800289258392
Energy: 1.1323122594966741
Energy: 0.8827626595590269
Energy: 1.1098801625096337
Energy: 0.3736480481979991
Energy: 1.0784093224069529
Energy: 0.7082658643642019
Energy: 0.9688978752228367
Energy: 0.714526362320757
Energy: 0.8127381831505099
Energy: 0.7640648681477005
Energy: 0.7611980873678624
Energy: 1.0246582275059495

minimum gb energy = -0.4847204267992579 eV
minimum distance =  2.59927846753533 Angstroms
sigma value = 39


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

Energy: 0.2947966885072667
Energy: 0.21368192079294676
Energy: 0.329022042140158
Energy: 0.010291461844635506
Energy: -0.023409822827966918
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Energy: 0.3685797560965309
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Energy: -0.07218004885755416
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Energy: 0.4492647803232608
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Energy: 0.217211429992023
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Energy: 0.2287625983514064
Energy: 0.39249792315684695
Energy: 0.5118086917673551
Energy: 0.070986255937684
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Energy: 0.19852149458765195
Energy: 0.06593390296554197
Energy: 0.7657925771948321
Energy: 0.04699352248964133
Energy: 0.03475933503842806
Energy: 0.5069705700525634
Energy: 0.12499419989788105
Energy: 0.04845329271204238
Energy: 0.2443935488750395
Energy: 0.13370940712878845
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Energy: 0.2316852611483567
Energy: 0.2540402343990968
Energy: 0.056426858009207194
Energy: -0.12680746647537885
Energy: 0.301865758262293
Energy: 0.16531968486690304
Energy: 0.1309641929977083
Energy: 0.06280516196253139
Energy: 0.4169246940807712
Energy: -0.7910723472377422
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Energy: 0.35401143475317814
Energy: 0.21646535475784717
Energy: 0.1508915256502052
Energy: 0.48666037917869504
Energy: 0.28808440642005034
Energy: 0.06642995916041948
Energy: 0.34721331874275924
Energy: 0.0876629906325172
Energy: 0.18390342994644382
Energy: 0.2381443756885367
Energy: 0.03850436131625593
Energy: -0.1979881847514179
Energy: 0.4200513624906662
Energy: 0.23121427886365703
Energy: 0.2362130606684564
Energy: 0.02361611592783871
Energy: 0.35302708844423725
Energy: 0.46067847758511943
Energy: 0.14209719396193946
Energy: 0.3640280127217933
Energy: 0.34530510360009437
Energy: 0.2593949341430162
Energy: 0.821251787726012
Energy: 0.11926553576193509
Energy: 0.3437658600508724
Energy: 0.4589826043452721
Energy: 0.5908724748558544
Energy: 0.20606046528384223
Energy: 0.30347204537413136
Energy: 0.3393137060614807
Energy: 0.04416342582699816
Energy: 0.10850676243960747
Energy: 0.3817242577101575
Energy: -0.09714892789877225
Energy: -0.26512406884818573

minimum gb energy = -0.7910723472377422 eV
minimum distance =  2.50544073758501 Angstroms
sigma value = 21


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

Energy: 0.6584342433408719
Energy: 0.2321506419660975
Energy: 0.2038243637172104
Energy: 0.7420431126602441
Energy: 0.3727275300660753
Energy: 0.4582092369258957
Energy: 0.23156877323156277
Energy: 0.26207422371513084
Energy: 0.19740061549889262
Energy: -0.5967196113451292
Energy: -0.015387436941520689
Energy: 0.2814937725701342
Energy: -0.020442752006085738
Energy: 0.36730237528190934
Energy: 0.8049676935736653
Energy: 0.08525881963734197
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minimum gb energy = -0.9958839668173306 eV
minimum distance =  2.55167227232103 Angstroms
sigma value = 113


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

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minimum gb energy = -1.3803596983285003 eV
minimum distance =  2.59935449098074 Angstroms
sigma value = 365


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

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Energy: -0.19382614181591556
Energy: -0.30846628078347504
Energy: -0.36712195690464133
Energy: -0.3096293349118906
Energy: -0.3079717014964396
Energy: -0.39885902894248326
Energy: -0.25285529562784986
Energy: -0.25378472848748673
Energy: -0.19262031605226612
Energy: -0.3726677535891835
Energy: -0.3716313425619372
Energy: -0.20148613846692426
Energy: -0.2027376916334179
Energy: -1.4992478037979118
Energy: -1.5016215129276174
Energy: -1.3444815208878391
Energy: -1.3582333256093093
Energy: -1.4986705937405094
Energy: -1.4975103468696933
Energy: -1.5004826859612779
Energy: -0.25242192931550034
Energy: -0.2102451656870942
Energy: -0.20772009199386415
Energy: -0.371981538870367
Energy: -0.37374620725202645
Energy: -0.3636000690653588
Energy: -0.18939316798708208

minimum gb energy = -1.5087033184444811 eV
minimum distance =  2.62507577559175 Angstroms
sigma value = 23