Model name: model_name=MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.863657340407371 cohesive_energy=4.290337405487055 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 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: 0.014950013604003035 Energy: 0.015599574195993914 Energy: 0.01521388055564765 Energy: 1.5918181430733926 Energy: 0.01521388071545576 Energy: 0.015599574196229503 Energy: 0.014950013604003035 Energy: 0.015599574196465092 Energy: 0.01521388080869679 Energy: 1.591818143073864 Energy: 0.7097751382165178 Energy: 0.015469556699537009 Energy: 0.017103713787707413 Energy: 0.7053408554394207 Energy: 0.017103713788178595 Energy: 0.015469196539255513 Energy: 0.7097751382165178 Energy: 0.015469854007040523 Energy: 0.017103713788178595 Energy: 0.7053408554394207 Energy: 0.014950013604003035 Energy: 0.015599574195993914 Energy: 0.01521388044950156 Energy: 1.591818143073864 Energy: 0.015213880486593796 Energy: 0.01559957419670068 Energy: 0.014950013604003035 Energy: 0.01559957419670068 Energy: 0.015213880343826649 Energy: 1.5918181430740994 Energy: 0.7097751382165178 Energy: 0.015468791861198962 Energy: 0.017103713787707413 Energy: 0.7053408554391851 Energy: 0.017103713787707413 Energy: 0.015469740374810505 Energy: 0.7097751382162822 Energy: 0.015468751937861238 Energy: 0.017103713787943006 Energy: 0.7053408554391851 Energy: 0.014950013604003035 Energy: 0.015599574196465092 Energy: 0.0152138803537214 Energy: 1.5918181430733926 Energy: 0.015213880549914977 Energy: 0.015599574196465092 Energy: 0.014950013604003035 Energy: 0.01559957419670068 Energy: 0.015213880785451973 Energy: 1.591818143073864 Energy: 0.7097751382165178 Energy: 0.01546929899209028 Energy: 0.017103713787707413 Energy: 0.7053408554394207 Energy: 0.017103713787943006 Energy: 0.015468892201922855 Energy: 0.7097751382165178 Energy: 0.015469748994736878 Energy: 0.017103713787707413 Energy: 0.7053408554394207 Energy: 0.014950013604003035 Energy: 0.015599574196229503 Energy: 0.015213880456647769 Energy: 1.5918181430736282 Energy: 0.015213880378353577 Energy: 0.015599574196465092 Energy: 0.014950013603767444 Energy: 0.015599574196465092 Energy: 0.015213880319430061 Energy: 1.5918181430736282 minimum gb energy = 0.014950013603767444 eV minimum distance = 2.33646559450192 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.514216652549547 Energy: 1.501787629206488 Energy: 1.3826672908334432 Energy: 1.3908880018811536 Energy: 1.3438774685467907 Energy: 1.3275686201166035 Energy: 1.5142166524497265 Energy: 1.5017876285381087 Energy: 1.3826672910573476 Energy: 1.3908880018805894 Energy: 1.369345867629975 Energy: 1.308892245253247 Energy: 1.381558373302717 Energy: 1.438972566320435 Energy: 1.325433819756491 Energy: 1.3041631421977384 Energy: 1.3693458676311034 Energy: 1.3088922452515543 Energy: 1.3815583880919102 Energy: 1.4389725666092281 Energy: 1.3965690700473175 Energy: 1.3898482607353875 Energy: 1.309749770730889 Energy: 1.3495927787305169 Energy: 1.3274408371575144 Energy: 1.3156947028046426 Energy: 1.3965691397813131 Energy: 1.3898482607325664 Energy: 1.30974977072976 Energy: 1.3495927787293884 Energy: 1.3289271242628264 Energy: 1.3240874425483902 Energy: 1.2909991751792629 Energy: 1.3274094225269928 Energy: 1.285907860969806 Energy: 1.357209231980142 Energy: 1.32892712426734 Energy: 1.324087442550647 Energy: 1.2909991751538714 Energy: 1.3274094161227572 Energy: 1.422120445909185 Energy: 1.3461621431361936 Energy: 1.3311175985557864 Energy: 1.3221550925655685 Energy: 1.2858702438172123 Energy: 1.289005093348444 Energy: 1.4221204459080565 Energy: 1.346162143137322 Energy: 1.3311175985557864 Energy: 1.3221550925655685 Energy: 1.2853792290206423 Energy: 1.3040037133307885 Energy: 1.3311771238644796 Energy: 1.3249460109273632 Energy: 1.3237380604509994 Energy: 1.5187151048495655 Energy: 1.2853792290195136 Energy: 1.3040037133347384 Energy: 1.3311771238639156 Energy: 1.3249460109262348 Energy: 1.382438646915595 Energy: 1.3487982092776711 Energy: 1.3906868860231028 Energy: 1.3101103716493259 Energy: 1.2495547234465714 Energy: 1.4208979732503997 Energy: 1.3824386469144665 Energy: 1.3487982092799282 Energy: 1.3906868872108997 Energy: 1.3101103716527116 Energy: 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1.3826672526337291 Energy: 1.3755668404917063 Energy: 1.3548212624159706 Energy: 1.3273313931760258 Energy: 1.410305940942433 Energy: 1.4389724622101334 Energy: 1.3254340100047624 Energy: 1.3041631421971742 Energy: 1.369345867627154 Energy: 1.30889224525099 Energy: 1.381541493926439 Energy: 1.4389724617910495 Energy: 1.3254340129962099 Energy: 1.3041631421960458 Energy: 1.3693458676254608 Energy: 1.3392311807462687 Energy: 1.327440833912257 Energy: 1.3156947028040782 Energy: 1.3965540889647612 Energy: 1.3898482607331304 Energy: 1.309749770726939 Energy: 1.3392311807468327 Energy: 1.3274408338096149 Energy: 1.3156947028029498 Energy: 1.3965545527735614 Energy: 1.3274094411677042 Energy: 1.2859078820757766 Energy: 1.3572724700783043 Energy: 1.328927124377882 Energy: 1.3240874425670106 Energy: 1.2909991764798587 Energy: 1.3274094417853013 Energy: 1.2859078816426377 Energy: 1.3572724700777399 Energy: 1.328927124384653 minimum gb energy = 1.2398402196125244 eV minimum distance = 2.2638941390121 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.6045918024533048 Energy: 1.4048309221718729 Energy: 1.4105325203486367 Energy: 1.5165441480405015 Energy: 1.4783040853455796 Energy: 1.5102760300401463 Energy: 1.604591802102715 Energy: 1.4054683668132448 Energy: 1.4105325202358032 Energy: 1.5165441480413275 Energy: 1.2381327055099434 Energy: 1.2909512828141463 Energy: 1.4067930809712383 Energy: 1.4493274680264254 Energy: 1.445337065104576 Energy: 1.3417025408033914 Energy: 1.2381327055110447 Energy: 1.2909512816885647 Energy: 1.4072095122528294 Energy: 1.4493274680289034 Energy: 1.4721690055278132 Energy: 1.3195143608980633 Energy: 1.275384660460693 Energy: 1.314107024275192 Energy: 1.36352715251806 Energy: 1.2888537994489517 Energy: 1.4721690055280883 Energy: 1.3195143608980633 Energy: 1.2753846604620698 Energy: 1.3141070242754673 Energy: 1.2688268105046552 Energy: 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Energy: 1.3320218735862732 Energy: 1.3522696191442032 Energy: 1.3740116811507124 Energy: 1.400014564953821 Energy: 1.4204078494637895 Energy: 1.3400305036853044 Energy: 1.3624500381845674 Energy: 1.4086701146886604 Energy: 1.4407177583197266 Energy: 1.4000145649546474 Energy: 1.420407849463239 Energy: 1.340030438078988 Energy: 1.3624500381851183 Energy: 1.3176333533178028 Energy: 1.2728604635538987 Energy: 1.411703175593397 Energy: 1.5714493287659166 Energy: 1.556328934634702 Energy: 1.3696258763196398 Energy: 1.317633353318904 Energy: 1.2728604621109916 Energy: 1.4117031754252483 Energy: 1.5714493288058389 Energy: 1.5059696320654337 Energy: 1.4418400702107996 Energy: 1.4654692687801552 Energy: 1.4693715736742974 Energy: 1.4926829792895806 Energy: 1.5273444405790055 Energy: 1.5059696759741559 Energy: 1.4418400702102492 Energy: 1.465469268779054 Energy: 1.469371573669617 Energy: 1.5099494903485386 Energy: 1.3287427899541435 Energy: 1.3863834038676384 Energy: 1.3522641524398609 Energy: 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1.4382100498106392 Energy: 1.4597912562747821 Energy: 1.2143650599574811 Energy: 1.2309609825913355 Energy: 1.4982038074409372 Energy: 1.4244174234312164 Energy: 1.181074005930558 Energy: 1.2393715110138965 Energy: 1.261148472275699 Energy: 1.2515838473978458 Energy: 1.4982038074363537 Energy: 1.4244174234306775 Energy: 1.1810740059254354 Energy: 1.2393715110249506 Energy: 1.2110014510375724 Energy: 1.4600015620474125 Energy: 1.432106479382158 Energy: 1.2527891892565794 Energy: 1.3969577313118298 Energy: 1.5758026125037625 Energy: 1.211001450887719 Energy: 1.4600015620460645 Energy: 1.432106479383506 Energy: 1.2527891882392466 minimum gb energy = 1.1743968019319098 eV minimum distance = 2.24767126403969 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.2170221092934899 Energy: 1.1793608034795668 Energy: 1.196809127343962 Energy: 1.4922726071998587 Energy: 1.1765443107548235 Energy: 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1.4068163063375172 Energy: 1.3897118149177845 Energy: 1.4269141414123252 Energy: 1.467822279011201 Energy: 1.42660064166225 Energy: 1.4885463886708783 Energy: 1.4307532064001574 Energy: 1.3924170533635003 Energy: 1.4269141414123252 Energy: 1.467822279011201 Energy: 1.4266006416563268 Energy: 1.4885463886708783 Energy: 1.4000578826881065 Energy: 1.4923761911073834 Energy: 1.3642599410843979 Energy: 1.5269002801022313 Energy: 1.4838249142787479 Energy: 1.4171308520747463 Energy: 1.4000578826854737 Energy: 1.4923761911073834 Energy: 1.3642599410811072 Energy: 1.5269002801006157 Energy: 1.3525680436605996 Energy: 1.4427456913748655 Energy: 1.422473643839458 Energy: 1.4547275804136222 Energy: 1.4052426684648778 Energy: 1.4687057933678433 Energy: 1.3525680436592833 Energy: 1.4427456913847378 Energy: 1.4224736438388002 Energy: 1.4547275803642605 Energy: 1.4795639193559391 Energy: 1.470641801499035 Energy: 1.451960707122123 Energy: 1.3872524637890529 Energy: 1.6675299053905928 Energy: 1.4566404404560993 Energy: 1.4795639193559391 Energy: 1.4706418015023257 Energy: 1.451960707122123 Energy: 1.3872524637857622 Energy: 1.5635042095792862 Energy: 1.4080028784416758 Energy: 1.5163991439463154 Energy: 1.4559919560464942 Energy: 1.4004483270219459 Energy: 1.6347519982780272 Energy: 1.5635042095776706 Energy: 1.4080028784377268 Energy: 1.5163991438772093 Energy: 1.4559919560467933 Energy: 1.5157070776003674 Energy: 1.398293206663529 Energy: 1.4474621610864609 Energy: 1.3726440408767886 Energy: 1.5282433614825954 Energy: 1.446114400842611 Energy: 1.515707077574041 Energy: 1.3982932066632296 Energy: 1.4474621610864609 Energy: 1.3726440408767886 Energy: 1.3931077346255418 Energy: 1.674943588653066 Energy: 1.4125286584663121 Energy: 1.4697996423513824 Energy: 1.4243493880823876 Energy: 1.3844542433980649 Energy: 1.3931077346255418 Energy: 1.674943588653066 Energy: 1.4125286584758256 Energy: 1.469799642354673 Energy: 1.3845515788610718 Energy: 1.5290649117186417 Energy: 1.4837380965136515 Energy: 1.358939510067357 Energy: 1.403871937215389 Energy: 1.5003914034096282 Energy: 1.384551578862089 Energy: 1.5290649117136754 Energy: 1.4837380965353706 Energy: 1.3589395100732804 Energy: 1.4297747675166554 Energy: 1.4670567775687702 Energy: 1.4685943992857127 Energy: 1.5442872145985447 Energy: 1.3614464965960311 Energy: 1.4001615375182268 Energy: 1.4297747675199464 Energy: 1.4670567775687702 Energy: 1.4685943992843962 Energy: 1.5442872143090762 Energy: 1.4939008100980609 Energy: 1.3727524001738565 Energy: 1.4270919495346324 Energy: 1.423421919614113 Energy: 1.423359635328936 Energy: 1.4066061897981494 Energy: 1.4939008100947702 Energy: 1.3727524001771472 Energy: 1.4270919495346324 Energy: 1.4234219196124371 minimum gb energy = 1.3519043202593433 eV minimum distance = 2.26457367575511 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.6020853530138108 Energy: 1.5002355336723485 Energy: 1.427371349887903 Energy: 1.9069573068325318 Energy: 1.4305872537236681 Energy: 1.5168446803654752 Energy: 1.6020853530126018 Energy: 1.5002355336727513 Energy: 1.427371349887903 Energy: 1.9069573068321288 Energy: 1.4183050990442723 Energy: 1.5752553333660126 Energy: 1.4267046923974658 Energy: 1.3918132038788464 Energy: 1.404116221311962 Energy: 1.500412443287622 Energy: 1.4183050990426602 Energy: 1.5752553333656096 Energy: 1.4267046923990778 Energy: 1.3918132038788464 Energy: 1.4508709789749672 Energy: 1.363422685528426 Energy: 1.461473038299645 Energy: 1.454796883863348 Energy: 1.4980548515053858 Energy: 1.3564395090694663 Energy: 1.4508709789749672 Energy: 1.3634226855674838 Energy: 1.461473038299645 Energy: 1.454796883863348 Energy: 1.4480048877010927 Energy: 1.3603247566093866 Energy: 1.4966353395961929 Energy: 1.5533478320776735 Energy: 1.4214216284239234 Energy: 1.4631283108447386 Energy: 1.448004886486087 Energy: 1.3603247565904435 Energy: 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1.3890182473770014 Energy: 1.45500183690302 Energy: 1.4219368152687264 Energy: 1.4219734779738673 Energy: 1.4380031963089375 Energy: 1.6002595801393067 Energy: 1.4855169776946566 Energy: 1.4181849377375464 Energy: 1.4549937251924119 Energy: 1.4292980380474263 Energy: 1.3690932175135329 Energy: 1.6002595805482047 Energy: 1.4855169776958659 Energy: 1.418184937844314 Energy: 1.4549937251928147 Energy: 1.5056413601107643 Energy: 1.4504326026158205 Energy: 1.4183743551311194 Energy: 1.3665737234415531 Energy: 1.455826145314559 Energy: 1.4764413349933252 Energy: 1.505641360108346 Energy: 1.4504326026154175 Energy: 1.4183743551303132 Energy: 1.366573723443165 Energy: 1.3774778382178658 Energy: 1.4852382024273019 Energy: 1.5006029659356435 Energy: 1.3720005078948527 Energy: 1.3616420377592615 Energy: 1.5969763358959652 Energy: 1.377477838245675 Energy: 1.4852382024273019 Energy: 1.5006029659364493 Energy: 1.37200050791178 Energy: 1.5533205961954035 Energy: 1.503650984768129 Energy: 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1.6002595726058755 Energy: 1.4855169776942538 Energy: 1.4181849375901088 Energy: 1.454993725193218 Energy: 1.4292980380462172 Energy: 1.3690932180066286 Energy: 1.6002595756422358 Energy: 1.366573723441956 Energy: 1.4558261489991102 Energy: 1.4764413349945344 Energy: 1.5056413601059278 Energy: 1.4504326026162235 Energy: 1.4183743551299104 Energy: 1.3665737234415531 Energy: 1.4558261490321227 Energy: 1.4764413349941314 Energy: 1.5056413601091523 Energy: 1.372000507885583 Energy: 1.3616420377584553 Energy: 1.5969763358959652 Energy: 1.3774778378283132 Energy: 1.485238202427705 Energy: 1.5006029659360465 Energy: 1.3720005078767528 Energy: 1.3616420377588583 Energy: 1.5969763358955618 Energy: 1.3774778378154162 Energy: 1.466962791236568 Energy: 1.46673317488806 Energy: 1.4212837128941622 Energy: 1.5533205961954035 Energy: 1.503650984767726 Energy: 1.3680075186479965 Energy: 1.466962790946126 Energy: 1.4667331748876569 Energy: 1.421283712895774 Energy: 1.5533205961958068 Energy: 1.4281467280139695 Energy: 1.3564062801759171 Energy: 1.493645989485508 Energy: 1.4577028250389648 Energy: 1.4584425258042135 Energy: 1.3625059201920013 Energy: 1.4281467280111482 Energy: 1.3564062801755143 Energy: 1.4936459894867173 Energy: 1.4577028250381585 Energy: 1.4110316621479204 Energy: 1.4948643573070253 Energy: 1.404119352131431 Energy: 1.3919962538435986 Energy: 1.4269843613164201 Energy: 1.570534368632439 Energy: 1.4110316621479204 Energy: 1.4948643573062192 Energy: 1.404119352131028 Energy: 1.3919962538423896 Energy: 1.6020853524663052 Energy: 1.500235533646957 Energy: 1.427371349895964 Energy: 1.8918904582203917 Energy: 1.4305872537276985 Energy: 1.5168446804057787 Energy: 1.6020853524840388 Energy: 1.5002355336300297 Energy: 1.42737134989677 Energy: 1.8918904582199885 Energy: 1.4183050990446755 Energy: 1.5752553333639971 Energy: 1.4267046923958535 Energy: 1.3918132038792494 Energy: 1.404116221311962 Energy: 1.500412443286413 Energy: 1.4183050990438695 Energy: 1.5752553333644006 Energy: 1.4267046923954503 Energy: 1.3918132038796525 Energy: 1.4508709789749672 Energy: 1.3634226852734144 Energy: 1.4614730382472874 Energy: 1.4547968838681846 Energy: 1.4980548515065948 Energy: 1.3564395090694663 Energy: 1.4508709789753702 Energy: 1.3634226852512474 Energy: 1.4614730382533327 Energy: 1.4547968838673784 Energy: 1.4480049323146418 Energy: 1.3603247567108778 Energy: 1.4966353395965961 Energy: 1.5533478320768677 Energy: 1.421421675038874 Energy: 1.4631283108447386 Energy: 1.4480049538348376 Energy: 1.3603247566891508 Energy: 1.496635339596999 Energy: 1.5533478320768677 Energy: 1.3893791662999486 Energy: 1.5006029659360465 Energy: 1.4791923538871736 Energy: 1.442134838454899 Energy: 1.5969763358959652 Energy: 1.3608366717080844 Energy: 1.389379166305188 Energy: 1.5006029659360465 Energy: 1.4791923538875764 Energy: 1.4421348384557051 Energy: 1.3666178426286648 Energy: 1.4398971222204084 Energy: 1.4506801213697034 Energy: 1.495046539678078 Energy: 1.4317803657274155 Energy: 1.4651111980922071 Energy: 1.3666178426290676 Energy: 1.4398971222191994 Energy: 1.4506801213697034 Energy: 1.49504653956248 Energy: 1.4554693437518702 Energy: 1.4167504349716276 Energy: 1.471640510301609 Energy: 1.5185827418234414 Energy: 1.3665317227030824 Energy: 1.4462091285720646 Energy: 1.455469343752273 Energy: 1.4167504349708213 Energy: 1.4716405103008028 Energy: 1.518946773427717 Energy: 1.4550018369018107 Energy: 1.4219368152687264 Energy: 1.4219734779742705 Energy: 1.4380031963061162 Energy: 1.3633736268483794 Energy: 1.3890182473770014 Energy: 1.455001836902617 Energy: 1.4219368152691299 Energy: 1.4219734779750766 Energy: 1.4380031963061162 Energy: 1.6002595677172367 Energy: 1.4855169776942538 Energy: 1.4181849382995613 Energy: 1.4549937251928147 Energy: 1.4292980380478293 Energy: 1.3690932177878536 Energy: 1.6002595690019312 Energy: 1.4855169776938508 Energy: 1.4181849387878205 Energy: 1.4549937251924119 Energy: 1.5056413600938368 Energy: 1.4504326026154175 Energy: 1.4183743551299104 Energy: 1.3665737234435682 Energy: 1.4558261463982483 Energy: 1.4764413349731735 Energy: 1.5056413600982703 Energy: 1.4504326026154175 Energy: 1.4183743551311194 Energy: 1.3665737234415531 Energy: 1.3774778376872874 Energy: 1.485238202427705 Energy: 1.5006029659364493 Energy: 1.3720005079178257 Energy: 1.3616420377588583 Energy: 1.5969763358955618 Energy: 1.3774778376184051 Energy: 1.4852382024273019 Energy: 1.5006029659364493 Energy: 1.372000507905332 Energy: 1.5533205961954035 Energy: 1.503650984767323 Energy: 1.3680075362161717 Energy: 1.4669627733364379 Energy: 1.4667331748876569 Energy: 1.4212837128973863 Energy: 1.5533205961950005 Energy: 1.503650984767323 Energy: 1.3680075378682877 Energy: 1.466962773443609 minimum gb energy = 1.3564062801755143 eV minimum distance = 2.21862258585062 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.160113413083858 Energy: 1.2385617686840895 Energy: 1.2632757842977467 Energy: 1.6480949714251516 Energy: 1.263928593312858 Energy: 1.2446810851838552 Energy: 1.1601134130831294 Energy: 1.2385617686731627 Energy: 1.2632757842977467 Energy: 1.6480949714266089 Energy: 1.2426831411624744 Energy: 1.5538369250435615 Energy: 1.256410275398936 Energy: 1.249512264279785 Energy: 1.7378562691450594 Energy: 1.2687858333510542 Energy: 1.2426831411632029 Energy: 1.5538369250450184 Energy: 1.256410275398936 Energy: 1.2495122642812417 Energy: 1.2316145707430886 Energy: 1.1584736974541208 Energy: 1.7054340220739252 Energy: 1.250221575940862 Energy: 1.2711358647828597 Energy: 1.2121691571617332 Energy: 1.2316145707438173 Energy: 1.1584736974533925 Energy: 1.7054340220739252 Energy: 1.2502215759401334 Energy: 1.6997755714977545 Energy: 1.1614280660675163 Energy: 1.2306732960529831 Energy: 1.2121649423422909 Energy: 1.2838853074935108 Energy: 1.2384730954608822 Energy: 1.6997755714977545 Energy: 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Energy: 1.7378562691443311 Energy: 1.26878583334814 Energy: 1.2426831411581039 Energy: 1.5538369250450184 Energy: 1.256410275398936 Energy: 1.2495122642819705 Energy: 1.7378562691443311 Energy: 1.2687858333488689 Energy: 1.7054340220739252 Energy: 1.2502215759401334 Energy: 1.2711358648105406 Energy: 1.2121691571610045 Energy: 1.2316145707430886 Energy: 1.1584736974533925 Energy: 1.7054340220739252 Energy: 1.250221575940862 Energy: 1.271135864822924 Energy: 1.2121691571617332 Energy: 1.2306732960522546 Energy: 1.2121649423415621 Energy: 1.2838853422809215 Energy: 1.2384730954608822 Energy: 1.699775571497026 Energy: 1.1614280660660594 Energy: 1.2306732960522546 Energy: 1.2121649423422909 Energy: 1.283885348848567 Energy: 1.2384730954608822 Energy: 1.238895495967644 Energy: 1.2637997678771136 Energy: 1.7271442090034477 Energy: 1.5635426931742176 Energy: 1.2044788476905954 Energy: 1.9618900253176967 Energy: 1.2388954959683722 Energy: 1.2637997678734714 Energy: 1.7271442090027194 Energy: 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1.699775571497026 Energy: 1.1614280660660594 Energy: 1.2306732960529831 Energy: 1.2121649423422909 Energy: 1.204478849008515 Energy: 1.961890025316968 Energy: 1.2388954959669154 Energy: 1.2637997678785704 Energy: 1.7271442090027194 Energy: 1.5635426931771312 Energy: 1.2044788482199418 Energy: 1.9618900253176967 Energy: 1.238895495967644 Energy: 1.2637997678756567 Energy: 1.2639285933135866 Energy: 1.2446810851911398 Energy: 1.1601134130831294 Energy: 1.2385617686265753 Energy: 1.2632757842984754 Energy: 1.5340481445534824 Energy: 1.2639285933135866 Energy: 1.2446810851925967 Energy: 1.160113413083858 Energy: 1.238561768614192 Energy: 1.7378562691443311 Energy: 1.268785833359067 Energy: 1.242683141152276 Energy: 1.5538369250450184 Energy: 1.256410275398936 Energy: 1.2495122642819705 Energy: 1.7378562691443311 Energy: 1.2687858333539679 Energy: 1.2426831411515475 Energy: 1.5538369250450184 minimum gb energy = 1.1584736974533925 eV minimum distance = 2.26151526799573 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.6045258181620274 Energy: 1.4088161929006808 Energy: 1.35567880819558 Energy: 1.7803252418822766 Energy: 1.3543421141345453 Energy: 1.3758572291263909 Energy: 1.6045258181253754 Energy: 1.4088161927102443 Energy: 1.3556788081962403 Energy: 1.7803252418826068 Energy: 1.4527637788874155 Energy: 1.3940267245672457 Energy: 1.3591803876666273 Energy: 1.3537657049308292 Energy: 1.352583791009094 Energy: 1.3354737387973525 Energy: 1.4527637788893968 Energy: 1.3940267245527167 Energy: 1.3591803876689383 Energy: 1.3537657049295084 Energy: 1.4168268195971183 Energy: 1.3239333095607064 Energy: 1.5500993249730772 Energy: 1.361182454799097 Energy: 1.3671171975714707 Energy: 1.6047183375418712 Energy: 1.4168268195974487 Energy: 1.323933309561697 Energy: 1.5500993249720867 Energy: 1.361182454796455 Energy: 1.4454562573952938 Energy: 1.3237146706530087 Energy: 1.3998861906039954 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1.4452288766951615 Energy: 1.364452160232042 Energy: 1.3488499596954189 Energy: 1.5701239866132137 Energy: 1.3252478311093079 Energy: 1.5630257299480235 Energy: 1.4452288766938408 Energy: 1.355693929260083 Energy: 1.530807003538682 Energy: 1.319897879444792 Energy: 1.3864552745608372 Energy: 1.314860482658014 Energy: 1.427742251282121 Energy: 1.3556939293591137 Energy: 1.5308069947499592 Energy: 1.3198980077361073 Energy: 1.3864552745605068 Energy: 1.3483417583039239 Energy: 1.4941535571078497 Energy: 1.3305679629277658 Energy: 1.3412821539931776 Energy: 1.4053201372249333 Energy: 1.45285564118203 Energy: 1.3483417583049142 Energy: 1.49415355710884 Energy: 1.3305679628931244 Energy: 1.341282153993838 Energy: 1.397283132534688 Energy: 1.341758355502986 Energy: 1.4107261691431268 Energy: 1.447282659020245 Energy: 1.3618933507447117 Energy: 1.3601814994487522 Energy: 1.3972831325353483 Energy: 1.3417583555046368 Energy: 1.4107261691418058 Energy: 1.447282659021566 Energy: 1.659800694246896 Energy: 1.3479737608420852 Energy: 1.3509832019582757 Energy: 1.3380253107235434 Energy: 1.5726241851255316 Energy: 1.3485709892632842 Energy: 1.659800694246896 Energy: 1.3479725195480432 Energy: 1.3509832019579455 Energy: 1.3380253107304778 Energy: 1.3744182261247158 Energy: 1.3767156614342586 Energy: 1.4057687660190656 Energy: 1.328460848541776 Energy: 1.4833234659163876 Energy: 1.3548906284857147 Energy: 1.374418226127027 Energy: 1.3767156614355796 Energy: 1.405768764265482 Energy: 1.3284608202916535 Energy: 1.4116808048191003 Energy: 1.3268282570466912 Energy: 1.3469560984937923 Energy: 1.554725570327763 Energy: 1.3366145963109592 Energy: 1.5079541184861682 Energy: 1.4116808048210816 Energy: 1.3268282569882754 Energy: 1.3469561934811496 Energy: 1.5547255703360179 Energy: 1.304520984584489 Energy: 1.4136280159277435 Energy: 1.3214066986561523 Energy: 1.6149015484198315 Energy: 1.341478410178874 Energy: 1.4559740057174977 Energy: 1.304520984584489 Energy: 1.4136280159264225 Energy: 1.3214066984020165 Energy: 1.6149012517143264 Energy: 1.4349755799447947 Energy: 1.4280207440754231 Energy: 1.469405108433168 Energy: 1.3083234167044848 Energy: 1.4505843978417898 Energy: 1.2931923699489287 Energy: 1.4349755799447947 Energy: 1.4280207440767438 Energy: 1.469405108433168 Energy: 1.3083234167087776 minimum gb energy = 1.2931923699489287 eV minimum distance = 2.2821633693472 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.534563125068061 Energy: 1.4428467999287038 Energy: 1.2978248921452142 Energy: 1.6373591627204924 Energy: 1.2961569691298784 Energy: 1.2859786710870529 Energy: 1.534563125066858 Energy: 1.4428467999395305 Energy: 1.2978248921464175 Energy: 1.6373591627938198 Energy: 1.2696902358624254 Energy: 1.7247430115102191 Energy: 1.2866790709118063 Energy: 1.2827798151633494 Energy: 1.5269660398407112 Energy: 1.2842271425500247 Energy: 1.2696902358635735 Energy: 1.724743011509016 Energy: 1.2866790709130091 Energy: 1.2827798151633494 Energy: 1.1613678426184164 Energy: 1.2555634699517155 Energy: 1.6391434003718526 Energy: 1.2676245570814126 Energy: 1.6027193368811758 Energy: 1.4946798657496279 Energy: 1.1613678426184164 Energy: 1.2555634699505125 Energy: 1.6391434003730556 Energy: 1.2676245570802098 Energy: 1.5941278389848188 Energy: 1.2528785421422697 Energy: 1.2828754499397788 Energy: 1.2816288047076267 Energy: 1.307122212605648 Energy: 1.2833010262024964 Energy: 1.5941278389848188 Energy: 1.2528785421410669 Energy: 1.2828754499397788 Energy: 1.281628804706424 Energy: 1.2698249213498811 Energy: 1.5633963686908414 Energy: 1.287998175455102 Energy: 1.2342806822297385 Energy: 1.2765354184472402 Energy: 1.160686060568584 Energy: 1.26982492135349 Energy: 1.5633963686920445 Energy: 1.287998175453899 Energy: 1.2342806822285355 Energy: 1.2851120754565757 Energy: 1.3059281775699108 Energy: 1.2761209654650887 Energy: 1.2329552216624622 Energy: 1.2825610513582506 Energy: 1.2346534365680017 Energy: 1.2851120754553726 Energy: 1.3059281775747227 Energy: 1.2761209654674948 Energy: 1.2329552216624622 Energy: 1.7250740163815532 Energy: 1.284927957228588 Energy: 1.3573006795904674 Energy: 1.2788469414706136 Energy: 1.2907567037866285 Energy: 1.2608359000747438 Energy: 1.7250740163791471 Energy: 1.2849279572297914 Energy: 1.3573006795892641 Energy: 1.2788469414694106 Energy: 1.3403150877838277 Energy: 1.3652773438910033 Energy: 1.328636120604492 Energy: 1.2816916684256905 Energy: 1.3959487546291036 Energy: 1.2546899098628146 Energy: 1.3403150877838277 Energy: 1.3652773438898005 Energy: 1.3286361205083081 Energy: 1.2816916684256905 Energy: 1.260707829867976 Energy: 1.2809727309446324 Energy: 1.664563663379066 Energy: 1.6301577363129607 Energy: 1.2924517835884 Energy: 1.4255482738299639 Energy: 1.2607078298667727 Energy: 1.2809727309434296 Energy: 1.664563663380269 Energy: 1.6301577363129607 Energy: 1.3511234124143117 Energy: 1.2392218682201896 Energy: 1.2755567059827022 Energy: 1.1783273597108845 Energy: 1.2889679289152196 Energy: 1.6591876155053358 Energy: 1.3511234122411913 Energy: 1.2392218682213927 Energy: 1.2755567059827022 Energy: 1.1783273597132906 Energy: 1.5076610297526014 Energy: 1.2803552468082078 Energy: 1.295022705626939 Energy: 1.293325832343627 Energy: 1.3761911783850236 Energy: 1.2747934458726566 Energy: 1.5076610297538044 Energy: 1.2803552468082078 Energy: 1.2950227056257362 Energy: 1.293325832343627 Energy: 1.1579063651263926 Energy: 1.4190072941642717 Energy: 1.4737943282674444 Energy: 1.2478585528072255 Energy: 1.4691755035589475 Energy: 1.3797239759880975 Energy: 1.1579063651263926 Energy: 1.4190072941666776 Energy: 1.4737943145967811 Energy: 1.2478585528084285 Energy: 1.4943600239883712 Energy: 1.2801818162017942 Energy: 1.3761911783838205 Energy: 1.2948545137969691 Energy: 1.2896193434839927 Energy: 1.280368919183757 Energy: 1.4943600239883712 Energy: 1.280181816202997 Energy: 1.3761911783838205 Energy: 1.2948545137969691 Energy: 1.2795534751949496 Energy: 1.6850123953717588 Energy: 1.288394952359789 Energy: 1.1787131630635106 Energy: 1.2783496864225847 Energy: 1.2372630301112564 Energy: 1.2795534751023743 Energy: 1.6850123953717588 Energy: 1.288394952359789 Energy: 1.1787131630623078 minimum gb energy = 1.1579063651263926 eV minimum distance = 2.28530049360003 Angstroms sigma value = 33