Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=6.400107890367508 cohesive_energy=0.4239253082373245 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.39491324907016e-21, 3.41316494870922e-21, -1.9136397716495997e-21, -3.42514922993154e-21, -3.41558423542656e-21, -2.0277467915230798e-21, 9.90556919206938e-22, 5.5207802454372e-21, 1.1061075002276518e-20, 1.70147954177532e-20, 2.30950557437832e-20, 2.9274170368130995e-20, 3.5325591514749e-20, 4.1061383864468997e-20, 4.6349047409659193e-20, 5.11075120126392e-20, 5.52832649738334e-20, 5.88497101611174e-20, 6.18001184326284e-20, 6.41397769712586e-20, 6.58821440607336e-20, 6.70520534388804e-20, 6.770862542349359e-20, 6.79149857739528e-20, 6.77044597642452e-20, 6.70474071266418e-20, 6.59028121393122e-20, 6.4224852550524e-20, 6.1961778054999e-20, 5.90504628933576e-20, 5.53882075433604e-20, 5.083738503214679e-20, 4.5283599948049195e-20, 3.91277168848944e-20, 3.2304046600688395e-20, 2.4468601772111396e-20, 1.5239279293720737e-20, 4.17195580257162e-21, -9.390789839565179e-21, -2.62098473379426e-20, -4.66816592788776e-20, -7.09237132749414e-20, -9.75679106983614e-20, -1.2321939947935499e-19, -1.435156128612036e-19, -1.567749062488608e-19, -1.65442361403474e-19, -1.7229326869045797e-19, -1.7092821419829e-19, -1.6135200445687198e-19, -1.6748193225855598e-19, -2.1142322862264e-19, -3.28050472341402e-19, -6.94114187501088e-19] 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: -3.6476901029332 eV ======================================== theta = 0.0 ======================================== Energy: 0.0005901160182906043 Energy: 0.24824475694753184 Energy: 0.6919705959167344 Energy: 0.6448217792051997 Energy: 0.23259950832997833 Energy: 0.001646636054408579 Energy: 0.8100440454182717 Energy: 0.7365381048509133 Energy: 0.6016102443441151 Energy: 0.21173351590076936 Energy: 0.232240512926297 Energy: 0.5954059901937923 Energy: 0.6128258225983502 Energy: 0.6643062692657665 Energy: 0.6489781672314726 Energy: 0.9325918651217486 Energy: 0.5986044364775046 Energy: 0.5815245660929389 Energy: 0.6869222767007788 Energy: 0.667980885502138 Energy: 0.5855497050001605 Energy: 0.14961062953314358 Energy: 0.1081172527622404 Energy: 0.5601349987090279 Energy: 0.7326814442845907 Energy: 0.5785444252076855 Energy: 0.11634976279890266 Energy: 0.1415363679713907 Energy: 0.5248471598953939 Energy: 0.741056995701358 Energy: 0.6047038739758139 Energy: 0.2812644188241607 Energy: 0.13537478617083518 Energy: 0.5627363726851943 Energy: 0.5646794145448109 Energy: 0.6043359308135012 Energy: 0.25490880911806335 Energy: 0.14113999912659342 Energy: 0.5595323026987002 Energy: 0.5636107678003827 Energy: 0.5771035186996503 Energy: 0.598235491281186 Energy: 0.5990204946556102 Energy: 0.11664888429287994 Energy: 0.3012283405238486 Energy: 0.5823430570759407 Energy: 0.6018536817843189 Energy: 0.6468478739026985 Energy: 0.11814216445592975 Energy: 0.9382242431669774 Energy: 0.5857618123886623 Energy: 0.690099531107699 Energy: 0.6231708016102506 Energy: 0.10024049093239469 Energy: 0.18198012053498555 Energy: 0.6028610703796873 Energy: 0.6700348351239375 Energy: 0.7050249849905182 Energy: 0.0780344940188967 Energy: 0.20926848883257038 Energy: 0.21810264344134542 Energy: 0.6768200080950194 Energy: 0.6220513932110647 Energy: 0.6056085370427675 Energy: 0.6291309701385164 Energy: 0.2250864294084547 Energy: 0.6611684089614267 Energy: 0.5864010734775197 Energy: 0.61743082170578 Energy: 0.6585446543240143 minimum gb energy = 0.0005901160182906043 eV minimum distance = 1.95851390061958 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.21461119943899926 Energy: 0.38977352049580805 Energy: 0.34336598557310993 Energy: 0.3120208994430553 Energy: 0.42834856533690985 Energy: 0.19997972942657516 Energy: 0.36398149851948114 Energy: 0.3316428481630098 Energy: 0.3178163923769946 Energy: 0.4699269788904067 Energy: 0.41321808238659574 Energy: 0.405546022374568 Energy: 0.3858927877652456 Energy: 0.30812595063263826 Energy: 0.29549746682170414 Energy: 0.4240731664591602 Energy: 0.38131083106255015 Energy: 0.3584972432820351 Energy: 0.32315916906696945 Energy: 0.3554891779913309 Energy: 0.39433212545986934 Energy: 0.29205703801101907 Energy: 0.323828617040106 Energy: 0.356735662654477 Energy: 0.32011490728824116 Energy: 0.3871950962477503 Energy: 0.30085663266751794 Energy: 0.3154718930179934 Energy: 0.33744573843937054 Energy: 0.33257293236452096 Energy: 0.3437952815220656 Energy: 0.5415294479404039 Energy: 0.2898756412060629 Energy: 0.3801327291015526 Energy: 0.3467118680517619 Energy: 0.3441108089997538 Energy: 0.5821591702385083 Energy: 0.2861114423471664 Energy: 0.38555863708577015 Energy: 0.34008190631325813 Energy: 0.33017435313793736 Energy: 0.31451915733064667 Energy: 0.36840451818325853 Energy: 0.4878618720473538 Energy: 0.40719599145349566 Energy: 0.3456852386815049 Energy: 0.3213021397205796 Energy: 0.3706381709736497 Energy: 0.49294023928206065 Energy: 0.385629975227674 Energy: 0.31219311648048303 Energy: 0.3229908630064653 Energy: 0.35427929960223 Energy: 0.5012052915485006 Energy: 0.40483458774211495 Energy: 0.31968253042688655 Energy: 0.3185245378741839 Energy: 0.35608356325757284 Energy: 0.5051229726965589 Energy: 0.38485387862551496 Energy: 0.2943313766493853 Energy: 0.3443421937944194 Energy: 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Energy: 0.37817282443421724 Energy: 0.3448561288579585 Energy: 0.31487233027630707 Energy: 0.3282848745484988 Energy: 0.32948682401397816 Energy: 0.5864808676771514 Energy: 0.5511790222003907 Energy: 0.29561109311089895 Energy: 0.33140261461260173 Energy: 0.3406331574358667 Energy: 0.6134276203479141 Energy: 0.5146294654889729 Energy: 0.29588640453266624 Energy: 0.30521681592037364 Energy: 0.2995433500962757 Energy: 0.4230995121863769 Energy: 0.4285732763394766 Energy: 0.3821611804690244 Energy: 0.2995327922587879 Energy: 0.3006715712679128 Energy: 0.4438429494514886 Energy: 0.46354413882830076 Energy: 0.38241942559750897 Energy: 0.5382704190609588 Energy: 0.3146954274306409 Energy: 0.3579954604200276 Energy: 0.46201677500608995 Energy: 0.31465147903125495 Energy: 0.4865633355512176 Energy: 0.31514140793476975 Energy: 0.36910839955720126 Energy: 0.497866113696364 Energy: 0.31604868307899364 Energy: 0.544250085029876 Energy: 0.40139827928339167 Energy: 0.3504583084018115 Energy: 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