# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlCo3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.352686796e+02 nan nan 1.16 1.234735541e+02 nan nan 1.18 1.126908054e+02 nan nan 1.20 1.028285452e+02 nan nan 1.22 9.380318782e+01 nan nan 1.24 8.553870850e+01 nan nan 1.26 7.796638828e+01 nan nan 1.28 7.102392837e+01 1.153998196e+02 1.341269026e+02 1.30 6.465521014e+01 1.060588193e+02 1.235905663e+02 1.32 5.881055578e+01 9.745026874e+01 1.138672811e+02 1.34 5.344589739e+01 8.951231151e+01 1.048904340e+02 1.36 4.852104663e+01 8.218908151e+01 9.659980942e+01 1.38 4.399869682e+01 7.543097175e+01 8.893947239e+01 1.40 3.984468511e+01 6.919373713e+01 8.185695863e+01 1.42 3.602837895e+01 6.343692988e+01 7.530428062e+01 1.44 3.252220707e+01 5.812225206e+01 6.923885479e+01 1.46 2.930066452e+01 5.321284361e+01 6.362301512e+01 1.48 2.634078011e+01 4.867406736e+01 5.842277156e+01 1.50 2.362235431e+01 4.447487135e+01 5.360676145e+01 1.52 2.112656689e+01 4.058828502e+01 4.914573189e+01 1.54 1.883552481e+01 3.699079097e+01 4.501251291e+01 1.56 1.673275061e+01 3.366138021e+01 4.118212289e+01 1.58 1.480370723e+01 3.058086085e+01 3.763170961e+01 1.60 1.303515152e+01 2.773148537e+01 3.434038312e+01 1.62 1.141465155e+01 2.509818497e+01 3.128900934e+01 1.64 9.930450072e+00 2.266609718e+01 2.845988617e+01 1.66 8.571607272e+00 2.042134951e+01 2.583726889e+01 1.68 7.328187599e+00 1.834929751e+01 2.340755892e+01 1.70 6.191299965e+00 1.643601817e+01 2.115784535e+01 1.72 5.152952163e+00 1.466900763e+01 1.907542121e+01 1.74 4.205798303e+00 1.303709311e+01 1.714835996e+01 1.76 3.342903616e+00 1.153015842e+01 1.536596032e+01 1.78 2.557609930e+00 1.013895633e+01 1.371846229e+01 1.80 1.843494816e+00 8.855099987e+00 1.219681859e+01 1.82 1.194371852e+00 7.671102247e+00 1.079249302e+01 1.84 6.043200290e-01 6.580312467e+00 9.497239788e+00 1.86 6.777494964e-02 5.576729754e+00 8.302901123e+00 1.88 -4.203173737e-01 4.654758821e+00 7.201346476e+00 1.90 -8.643512943e-01 3.808977043e+00 6.184655053e+00 1.92 -1.268002694e+00 3.033966405e+00 5.245485938e+00 1.94 -1.634294138e+00 2.324257203e+00 4.377415043e+00 1.96 -1.965745798e+00 1.674402976e+00 3.575034652e+00 1.98 -2.264543165e+00 1.079154329e+00 2.833797830e+00 2.00 -2.532671796e+00 5.336611108e-01 2.149745849e+00 2.02 -2.772004100e+00 3.362922097e-02 1.519269557e+00 2.04 -2.984346907e+00 -4.246212451e-01 9.389794141e-01 2.06 -3.171467115e+00 -8.442098575e-01 4.056796838e-01 2.08 -3.335111330e+00 -1.227826883e+00 -8.360331868e-02 2.10 -3.477027282e+00 -1.577881995e+00 -5.315964338e-01 2.12 -3.598984359e+00 -1.896622693e+00 -9.407938428e-01 2.14 -3.702783313e+00 -2.186201672e+00 -1.313515851e+00 2.16 -3.790244820e+00 -2.448694287e+00 -1.651997011e+00 2.18 -3.863171438e+00 -2.686080105e+00 -1.958478035e+00 2.20 -3.923284830e+00 -2.900209602e+00 -2.235270770e+00 2.22 -3.972276369e+00 -3.092777184e+00 -2.484766587e+00 2.24 -4.011462766e+00 -3.265312866e+00 -2.709374731e+00 2.26 -4.041748519e+00 -3.419192494e+00 -2.911408245e+00 2.28 -4.063850600e+00 -3.555658327e+00 -3.092964678e+00 2.30 -4.078330281e+00 -3.675840929e+00 -3.255851150e+00 2.32 -4.085643100e+00 -3.780777097e+00 -3.401575498e+00 2.34 -4.086187635e+00 -3.871422396e+00 -3.531390595e+00 2.36 -4.080652787e+00 -3.948660217e+00 -3.646362473e+00 2.38 -4.069928392e+00 -4.013310406e+00 -3.747437400e+00 2.40 -4.053765671e+00 -4.066141667e+00 -3.835496030e+00 2.42 -4.032016226e+00 -4.107967639e+00 -3.911392933e+00 2.44 -4.004674918e+00 -4.139517753e+00 -3.975982799e+00 2.46 -3.971856198e+00 -4.161386501e+00 -4.030133041e+00 2.48 -3.933770736e+00 -4.174179829e+00 -4.074750970e+00 2.50 -3.890703124e+00 -4.178552868e+00 -4.110808620e+00 2.52 -3.842998369e+00 -4.175209341e+00 -4.139018844e+00 2.54 -3.791012948e+00 -4.164901441e+00 -4.160018428e+00 2.56 -3.735087581e+00 -4.148471880e+00 -4.174370856e+00 2.58 -3.675544361e+00 -4.127430911e+00 -4.182552982e+00 2.60 -3.612697730e+00 -4.102373129e+00 -4.184958364e+00 2.62 -3.546872360e+00 -4.073579447e+00 -4.181911175e+00 2.64 -3.478418135e+00 -4.041403198e+00 -4.174228505e+00 2.66 -3.407714101e+00 -4.006200339e+00 -4.162327481e+00 2.68 -3.335159333e+00 -3.968274870e+00 -4.145887310e+00 2.70 -3.261156038e+00 -3.927851687e+00 -4.124663884e+00 2.72 -3.186094015e+00 -3.885079035e+00 -4.098498430e+00 2.74 -3.110342942e+00 -3.840057544e+00 -4.067309214e+00 2.76 -3.034252122e+00 -3.792850524e+00 -4.031091788e+00 2.78 -2.958152264e+00 -3.743499556e+00 -3.989928075e+00 2.80 -2.882354292e+00 -3.692041167e+00 -3.944010024e+00 2.82 -2.807144379e+00 -3.638516456e+00 -3.893658806e+00 2.84 -2.732778131e+00 -3.582975401e+00 -3.839319714e+00 2.86 -2.659476927e+00 -3.525478050e+00 -3.781555287e+00 2.88 -2.587427159e+00 -3.466094923e+00 -3.721017629e+00 2.90 -2.516780868e+00 -3.404908476e+00 -3.658399728e+00 2.92 -2.447655977e+00 -3.342016947e+00 -3.594375324e+00 2.94 -2.380135751e+00 -3.277541134e+00 -3.529542217e+00 2.96 -2.314268441e+00 -3.211633642e+00 -3.464382820e+00 2.98 -2.250068930e+00 -3.144488895e+00 -3.399248910e+00 3.00 -2.187523113e+00 -3.076350850e+00 -3.334368811e+00 3.02 -2.126594764e+00 -3.007514642e+00 -3.269869825e+00 3.04 -2.067233644e+00 -2.938318857e+00 -3.205806723e+00 3.06 -2.009383350e+00 -2.869127413e+00 -3.142189176e+00 3.08 -1.952987724e+00 -2.800303303e+00 -3.079003957e+00 3.10 -1.897995200e+00 -2.732179879e+00 -3.016230579e+00 3.12 -1.844361009e+00 -2.665036264e+00 -2.953850837e+00 3.14 -1.792047595e+00 -2.599082282e+00 -2.891853565e+00 3.16 -1.741023722e+00 -2.534454778e+00 -2.830236075e+00 3.18 -1.691262857e+00 -2.471224112e+00 -2.769003562e+00 3.20 -1.642741293e+00 -2.409407190e+00 -2.708167449e+00 3.22 -1.595436400e+00 -2.348983105e+00 -2.647743337e+00 3.24 -1.549325226e+00 -2.289908173e+00 -2.587748978e+00 3.26 -1.504383598e+00 -2.232128392e+00 -2.528202586e+00 3.28 -1.460585733e+00 -2.175588550e+00 -2.469121621e+00 3.30 -1.417904330e+00 -2.120238039e+00 -2.410522209e+00 3.32 -1.376311019e+00 -2.066033927e+00 -2.352419267e+00 3.34 -1.335777045e+00 -2.012941981e+00 -2.294827442e+00 3.36 -1.296274012e+00 -1.960936335e+00 -2.237762893e+00 3.38 -1.257774551e+00 -1.909998385e+00 -2.181245876e+00 3.40 -1.220252821e+00 -1.860115327e+00 -2.125303958e+00 3.42 -1.183684756e+00 -1.811278630e+00 -2.069975499e+00 3.44 -1.148048136e+00 -1.763482576e+00 -2.015312772e+00 3.46 -1.113322383e+00 -1.716722968e+00 -1.961383932e+00 3.48 -1.079488332e+00 -1.670996021e+00 -1.908272981e+00 3.50 -1.046527885e+00 -1.626297408e+00 -1.856077039e+00 3.52 -1.014423680e+00 -1.582621486e+00 -1.804900827e+00 3.54 -9.831587621e-01 -1.539960665e+00 -1.754848762e+00 3.56 -9.527162779e-01 -1.498304931e+00 -1.706016059e+00 3.58 -9.230791985e-01 -1.457641533e+00 -1.658480344e+00 3.60 -8.942300535e-01 -1.417954830e+00 -1.612295335e+00 3.62 -8.661506872e-01 -1.379226319e+00 -1.567487600e+00 3.64 -8.388220386e-01 -1.341434841e+00 -1.524056619e+00 3.66 -8.122239564e-01 -1.304556957e+00 -1.481977680e+00 3.68 -7.863350575e-01 -1.268567466e+00 -1.441206714e+00 3.70 -7.611326386e-01 -1.233440023e+00 -1.401686042e+00 3.72 -7.365926452e-01 -1.199147793e+00 -1.363350125e+00 3.74 -7.126897023e-01 -1.165664075e+00 -1.326130662e+00 3.76 -6.893972120e-01 -1.132962829e+00 -1.289960691e+00 3.78 -6.666875287e-01 -1.101019045e+00 -1.254777526e+00 3.80 -6.445322285e-01 -1.069808935e+00 -1.220524593e+00 3.82 -6.229025009e-01 -1.039309925e+00 -1.187152313e+00 3.84 -6.017696909e-01 -1.009500489e+00 -1.154618233e+00 3.86 -5.811060235e-01 -9.803598497e-01 -1.122886619e+00 3.88 -5.608855231e-01 -9.518676167e-01 -1.091927731e+00 3.90 -5.410851148e-01 -9.240033933e-01 -1.061716932e+00 3.92 -5.216858431e-01 -8.967464141e-01 -1.032233765e+00 3.94 -5.026741005e-01 -8.700752571e-01 -1.003461104e+00 3.96 -4.840426314e-01 -8.439676115e-01 -9.753843498e-01 3.98 -4.657911223e-01 -8.184001875e-01 -9.479907948e-01 4.00 -4.479260705e-01 -7.933487317e-01 -9.212690672e-01 4.02 -4.304597370e-01 -7.687881901e-01 -8.952086833e-01 4.04 -4.134081014e-01 -7.446930345e-01 -8.697996815e-01 4.06 -3.967879425e-01 -7.210377764e-01 -8.450323274e-01 4.08 -3.806133929e-01 -6.977976919e-01 -8.208968750e-01 4.10 -3.648924947e-01 -6.749497620e-01 -7.973833785e-01 4.12 -3.496243412e-01 -6.524738808e-01 -7.744815450e-01 4.14 -3.347973016e-01 -6.303541609e-01 -7.521806239e-01 4.16 -3.203886170e-01 -6.085804508e-01 -7.304693278e-01 4.18 -3.063653907e-01 -5.871497943e-01 -7.093357796e-01 4.20 -2.926867694e-01 -5.660677109e-01 -6.887674802e-01 4.22 -2.793069691e-01 -5.453490681e-01 -6.687512921e-01 4.24 -2.661787647e-01 -5.250183049e-01 -6.492734331e-01 4.26 -2.532571028e-01 -5.051088032e-01 -6.303194757e-01 4.28 -2.405025728e-01 -4.856612869e-01 -6.118743482e-01 4.30 -2.278845401e-01 -4.667212715e-01 -5.939223328e-01 4.32 -2.153837894e-01 -4.483357558e-01 -5.764470592e-01 4.34 -2.029945318e-01 -4.305495068e-01 -5.594314910e-01 4.36 -1.907256216e-01 -4.134013869e-01 -5.428579034e-01 4.38 -1.786008516e-01 -3.969211817e-01 -5.267078522e-01 4.40 -1.666581298e-01 -3.811272992e-01 -5.109621341e-01 4.42 -1.549475675e-01 -3.660255478e-01 -4.956007389e-01 4.44 -1.435284603e-01 -3.516090166e-01 -4.806027964e-01 4.46 -1.324653982e-01 -3.378589152e-01 -4.659465192e-01 4.48 -1.218238324e-01 -3.247461225e-01 -4.516091468e-01 4.50 -1.116655508e-01 -3.122331526e-01 -4.375668956e-01 4.52 -1.020445352e-01 -3.002762629e-01 -4.237949106e-01 4.54 -9.300365127e-02 -2.888274873e-01 -4.102672906e-01 4.56 -8.457241565e-02 -2.778364499e-01 -3.969570388e-01 4.58 -7.676602094e-02 -2.672518855e-01 -3.838361684e-01 4.60 -6.958528008e-02 -2.570228557e-01 -3.708758127e-01 4.62 -6.301825123e-02 -2.470996883e-01 -3.580464269e-01 4.64 -5.704218422e-02 -2.374346968e-01 -3.453180908e-01 4.66 -5.162540398e-02 -2.279827477e-01 -3.326609354e-01 4.68 -4.672981151e-02 -2.187017449e-01 -3.200457161e-01 4.70 -4.231328449e-02 -2.095530943e-01 -3.074445527e-01 4.72 -3.833182736e-02 -2.005022008e-01 -2.948318519e-01 4.74 -3.474138799e-02 -1.915190339e-01 -2.821854142e-01 4.76 -3.149931039e-02 -1.825787775e-01 -2.694877146e-01 4.78 -2.856543744e-02 -1.736625598e-01 -2.567273191e-01 4.80 -2.590289377e-02 -1.647582229e-01 -2.439003710e-01 4.82 -2.347859162e-02 -1.558611099e-01 -2.310120452e-01 4.84 -2.126350261e-02 -1.469746910e-01 -2.180778365e-01 4.86 -1.923273266e-02 -1.381110452e-01 -2.051245144e-01 4.88 -1.736523861e-02 -1.292909850e-01 -1.921905678e-01 4.90 -1.564389442e-02 -1.205437506e-01 -1.793259702e-01 4.92 -1.405525440e-02 -1.119061797e-01 -1.665911381e-01 4.94 -1.258881634e-02 -1.034213219e-01 -1.540550309e-01 4.96 -1.123650156e-02 -9.513653158e-02 -1.417924399e-01 4.98 -9.992090002e-03 -8.710114188e-02 -1.298806358e-01 5.00 -8.850650413e-03 -7.936390968e-02 -1.183956365e-01 5.02 -7.808007167e-03 -7.197045449e-02 -1.074084335e-01 5.04 -6.860281216e-03 -6.496092190e-02 -9.698154225e-02 5.06 -6.003533325e-03 -5.836808610e-02 -8.716618474e-02 5.08 -5.233524223e-03 -5.221585256e-02 -7.800035831e-02 5.10 -4.545591417e-03 -4.651879118e-02 -6.950788246e-02 5.12 -3.934629203e-03 -4.128262323e-02 -6.169841112e-02 5.14 -3.395149141e-03 -3.650421650e-02 -5.456811121e-02 5.16 -2.921394012e-03 -3.217260200e-02 -4.810148625e-02 5.18 -2.507478691e-03 -2.827029251e-02 -4.227345682e-02 5.20 -2.147535339e-03 -2.477472934e-02 -3.705114618e-02 5.22 -1.835846255e-03 -2.165972869e-02 -3.239607371e-02 5.24 -1.566953998e-03 -1.889683121e-02 -2.826620202e-02 5.26 -1.335744017e-03 -1.645648671e-02 -2.461773864e-02 5.28 -1.137499416e-03 -1.430898949e-02 -2.140663653e-02 5.30 -9.679303426e-04 -1.242509273e-02 -1.858957752e-02 5.32 -8.231821536e-04 -1.077725351e-02 -1.612499816e-02 5.34 -6.998270515e-04 -9.339565554e-03 -1.397438784e-02 5.36 -5.948438083e-04 -8.087952658e-03 -1.210190901e-02 5.38 -5.055896499e-04 -7.000329420e-03 -1.047463484e-02 5.40 -4.297676605e-04 -6.056654881e-03 -9.062653007e-03 5.42 -3.653923194e-04 -5.238907062e-03 -7.839043330e-03 5.44 -3.107550774e-04 -4.531002087e-03 -6.779767218e-03 5.46 -2.643912872e-04 -3.918677055e-03 -5.863499200e-03 5.48 -2.250493177e-04 -3.389351629e-03 -5.071424216e-03 5.50 -1.916623198e-04 -2.931979580e-03 -4.387018313e-03 5.52 -1.633228378e-04 -2.536898491e-03 -3.795825523e-03 5.54 -1.392602761e-04 -2.195683273e-03 -3.285236892e-03 5.56 -1.188211078e-04 -1.901007223e-03 -2.844295250e-03 5.58 -1.014516364e-04 -1.646512882e-03 -2.463483820e-03 5.60 -8.668308388e-05 -1.426693852e-03 -2.134562437e-03 5.62 -7.411876204e-05 -1.236787950e-03 -1.850404497e-03 5.64 -6.342308497e-05 -1.072681557e-03 -1.604853901e-03 5.66 -5.431219354e-05 -9.308246663e-04 -1.392597978e-03 5.68 -4.654597812e-05 -8.081559036e-04 -1.209055309e-03 5.70 -3.992130736e-05 -7.020367182e-04 -1.050277255e-03 5.72 -3.426629137e-05 -6.101938598e-04 -9.128618751e-04 5.74 -2.943542840e-05 -5.306692843e-04 -7.938789608e-04 5.76 -2.530550335e-05 -4.617766565e-04 -6.908049414e-04 5.78 -2.177212481e-05 -4.020636737e-04 -6.014664947e-04 5.80 -1.874680278e-05 -3.502794957e-04 -5.239918033e-04 5.82 -1.615448353e-05 -3.053466357e-04 -4.567684847e-04 5.84 -1.393147058e-05 -2.663367320e-04 -3.984073295e-04 5.86 -1.202367140e-05 -2.324496863e-04 -3.477110805e-04 5.88 -1.038511864e-05 -2.029957168e-04 -3.036475707e-04 5.90 -8.976722684e-06 -1.773799262e-04 -2.653266287e-04 5.92 -7.765219051e-06 -1.550890398e-04 -2.319802298e-04 5.94 -6.722279906e-06 -1.356800109e-04 -2.029454434e-04 5.96 -5.823763729e-06 -1.187702327e-04 -1.776497837e-04 5.98 -5.049081397e-06 -1.040291308e-04 -1.555986274e-04 6.00 -4.380660317e-06 -9.117094090e-05 -1.363644052e-04