# 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 = MoZr3 # 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 4.479244082e+02 nan nan 1.16 4.139618492e+02 nan nan 1.18 3.826935218e+02 nan nan 1.20 3.538858075e+02 nan nan 1.22 3.273228728e+02 nan nan 1.24 3.028078546e+02 nan nan 1.26 2.801634667e+02 nan nan 1.28 2.592309402e+02 3.915445355e+02 4.455754665e+02 1.30 2.398683654e+02 3.643833163e+02 4.153101367e+02 1.32 2.219492128e+02 3.391730288e+02 3.871791524e+02 1.34 2.053604620e+02 3.157566571e+02 3.610174013e+02 1.36 1.900000745e+02 2.939911681e+02 3.366753726e+02 1.38 1.757740017e+02 2.737467543e+02 3.140168602e+02 1.40 1.625943799e+02 2.549057544e+02 2.929168528e+02 1.42 1.503791429e+02 2.373606441e+02 2.732598998e+02 1.44 1.390523431e+02 2.210122129e+02 2.549389302e+02 1.46 1.285442239e+02 2.057691429e+02 2.378546790e+02 1.48 1.187911776e+02 1.915485799e+02 2.219154839e+02 1.50 1.097353410e+02 1.782762289e+02 2.070374100e+02 1.52 1.013236367e+02 1.658855254e+02 1.931439175e+02 1.54 9.350712821e+01 1.543163656e+02 1.801647857e+02 1.56 8.624081669e+01 1.435141775e+02 1.680352320e+02 1.58 7.948364575e+01 1.334294055e+02 1.566954050e+02 1.60 7.319827671e+01 1.240168094e+02 1.460900494e+02 1.62 6.735061937e+01 1.152342818e+02 1.361681317e+02 1.64 6.190963063e+01 1.070416501e+02 1.268823970e+02 1.66 5.684729440e+01 9.939995598e+01 1.181892482e+02 1.68 5.213836508e+01 9.227138972e+01 1.100489180e+02 1.70 4.775974321e+01 8.561979754e+01 1.024253671e+02 1.72 4.368971475e+01 7.941116299e+01 9.528582491e+01 1.74 3.990752654e+01 7.361390956e+01 8.860001763e+01 1.76 3.639334771e+01 6.819891869e+01 8.233961934e+01 1.78 3.312848397e+01 6.313941997e+01 7.647798194e+01 1.80 3.009554608e+01 5.841073749e+01 7.099019665e+01 1.82 2.727836580e+01 5.399003778e+01 6.585300415e+01 1.84 2.466178266e+01 4.985599510e+01 6.104462484e+01 1.86 2.223144329e+01 4.598876581e+01 5.654440748e+01 1.88 1.997374128e+01 4.237007606e+01 5.233265581e+01 1.90 1.787698396e+01 3.898334112e+01 4.839061833e+01 1.92 1.593166137e+01 3.581358912e+01 4.470047031e+01 1.94 1.412742256e+01 3.284721515e+01 4.124541634e+01 1.96 1.245398195e+01 3.007162651e+01 3.800969212e+01 1.98 1.090189989e+01 2.747501637e+01 3.497855844e+01 2.00 9.462478526e+00 2.504624969e+01 3.213826201e+01 2.02 8.127638109e+00 2.277478790e+01 2.947598695e+01 2.04 6.889857470e+00 2.065062281e+01 2.697986023e+01 2.06 5.742122498e+00 1.866457597e+01 2.463893428e+01 2.08 4.677924424e+00 1.680887644e+01 2.244317520e+01 2.10 3.691291691e+00 1.507649128e+01 2.038334322e+01 2.12 2.776813392e+00 1.345910390e+01 1.845140330e+01 2.14 1.929627959e+00 1.194866553e+01 1.664059262e+01 2.16 1.145346826e+00 1.053773683e+01 1.494499507e+01 2.18 4.199836311e-01 9.219536717e+00 1.335810989e+01 2.20 -2.501570296e-01 7.987934330e+00 1.187364652e+01 2.22 -8.685616132e-01 6.837347007e+00 1.048579613e+01 2.24 -1.438568394e+00 5.762645393e+00 9.189092023e+00 2.26 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-6.452347882e+00 -4.942648584e+00 -3.870869793e+00 2.64 -6.526539212e+00 -5.175527308e+00 -4.175547452e+00 2.66 -6.588589114e+00 -5.387836352e+00 -4.456889123e+00 2.68 -6.639040824e+00 -5.580664798e+00 -4.716230748e+00 2.70 -6.678489280e+00 -5.755077123e+00 -4.954816842e+00 2.72 -6.707541134e+00 -5.912124244e+00 -5.173817875e+00 2.74 -6.726512633e+00 -6.052844174e+00 -5.374349682e+00 2.76 -6.735757838e+00 -6.178254504e+00 -5.557492169e+00 2.78 -6.735622493e+00 -6.289336327e+00 -5.724303401e+00 2.80 -6.726498358e+00 -6.387035452e+00 -5.875830883e+00 2.82 -6.708965725e+00 -6.472226888e+00 -6.013102819e+00 2.84 -6.683615959e+00 -6.545725565e+00 -6.137117216e+00 2.86 -6.650985181e+00 -6.608279928e+00 -6.248815581e+00 2.88 -6.611227674e+00 -6.660574456e+00 -6.349054115e+00 2.90 -6.564346507e+00 -6.703234706e+00 -6.438579804e+00 2.92 -6.510420669e+00 -6.736837102e+00 -6.518018415e+00 2.94 -6.449605102e+00 -6.762018464e+00 -6.587876849e+00 2.96 -6.382082052e+00 -6.779285717e+00 -6.648547546e+00 2.98 -6.307985185e+00 -6.788927515e+00 -6.700372000e+00 3.00 -6.227505451e+00 -6.791231603e+00 -6.743596666e+00 3.02 -6.140933142e+00 -6.786486762e+00 -6.778470443e+00 3.04 -6.048654248e+00 -6.774892984e+00 -6.805340682e+00 3.06 -5.951144205e+00 -6.756777442e+00 -6.824309878e+00 3.08 -5.848957685e+00 -6.732505682e+00 -6.835476414e+00 3.10 -5.742713705e+00 -6.702352789e+00 -6.838976884e+00 3.12 -5.633076068e+00 -6.666475015e+00 -6.834934601e+00 3.14 -5.520729856e+00 -6.624884490e+00 -6.823662309e+00 3.16 -5.406355398e+00 -6.577592100e+00 -6.805541512e+00 3.18 -5.290601831e+00 -6.524689942e+00 -6.780985559e+00 3.20 -5.174063014e+00 -6.466333495e+00 -6.750414709e+00 3.22 -5.057258964e+00 -6.402726058e+00 -6.714031041e+00 3.24 -4.940625682e+00 -6.334029569e+00 -6.671855423e+00 3.26 -4.824515009e+00 -6.260408396e+00 -6.623955096e+00 3.28 -4.709204315e+00 -6.182098467e+00 -6.570439447e+00 3.30 -4.594913734e+00 -6.099403363e+00 -6.511452770e+00 3.32 -4.481827167e+00 -6.012684852e+00 -6.447119917e+00 3.34 -4.370108563e+00 -5.922348644e+00 -6.377537824e+00 3.36 -4.259933562e+00 -5.828826795e+00 -6.302856025e+00 3.38 -4.151470250e+00 -5.732559895e+00 -6.223282313e+00 3.40 -4.044895788e+00 -5.633980455e+00 -6.139080821e+00 3.42 -3.940378251e+00 -5.533511347e+00 -6.050568122e+00 3.44 -3.838079057e+00 -5.431548563e+00 -5.958106970e+00 3.46 -3.738115879e+00 -5.328469149e+00 -5.862097826e+00 3.48 -3.640572259e+00 -5.224628947e+00 -5.762968852e+00 3.50 -3.545486196e+00 -5.120362223e+00 -5.661156709e+00 3.52 -3.452873161e+00 -5.015979913e+00 -5.557133759e+00 3.54 -3.362701143e+00 -4.911766630e+00 -5.451342205e+00 3.56 -3.274920400e+00 -4.807977100e+00 -5.344230323e+00 3.58 -3.189464446e+00 -4.704832935e+00 -5.236239070e+00 3.60 -3.106255880e+00 -4.602520497e+00 -5.127801271e+00 3.62 -3.025211096e+00 -4.501190338e+00 -5.019340654e+00 3.64 -2.946244057e+00 -4.400958389e+00 -4.911268812e+00 3.66 -2.869269327e+00 -4.301908836e+00 -4.803978679e+00 3.68 -2.794204420e+00 -4.204098436e+00 -4.697834323e+00 3.70 -2.720971461e+00 -4.107561999e+00 -4.593158423e+00 3.72 -2.649498193e+00 -4.012318696e+00 -4.490219990e+00 3.74 -2.579718391e+00 -3.918378864e+00 -4.389225274e+00 3.76 -2.511571835e+00 -3.825750929e+00 -4.290314054e+00 3.78 -2.445003977e+00 -3.734447982e+00 -4.193562067e+00 3.80 -2.379965464e+00 -3.644493415e+00 -4.098988789e+00 3.82 -2.316411618e+00 -3.555924919e+00 -4.006568722e+00 3.84 -2.254301970e+00 -3.468796153e+00 -3.916243979e+00 3.86 -2.193599861e+00 -3.383175554e+00 -3.827936316e+00 3.88 -2.134272119e+00 -3.299142166e+00 -3.741557335e+00 3.90 -2.076288793e+00 -3.216778954e+00 -3.657016305e+00 3.92 -2.019618960e+00 -3.136160128e+00 -3.574219120e+00 3.94 -1.964247028e+00 -3.057362067e+00 -3.493098746e+00 3.96 -1.910146257e+00 -2.980426608e+00 -3.413574060e+00 3.98 -1.857296908e+00 -2.905378242e+00 -3.335580535e+00 4.00 -1.805680933e+00 -2.832217484e+00 -3.259061907e+00 4.02 -1.755281574e+00 -2.760922699e+00 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-1.736488635e+00 -2.042939502e+00 4.40 -1.006911359e+00 -1.691315959e+00 -1.990037141e+00 4.42 -9.772322731e-01 -1.647205942e+00 -1.938196994e+00 4.44 -9.483807597e-01 -1.604140067e+00 -1.887435284e+00 4.46 -9.203355585e-01 -1.562099884e+00 -1.837772040e+00 4.48 -8.930753584e-01 -1.521066886e+00 -1.789229297e+00 4.50 -8.665787932e-01 -1.481022422e+00 -1.741828845e+00 4.52 -8.408244315e-01 -1.441947633e+00 -1.695572536e+00 4.54 -8.157907648e-01 -1.403823414e+00 -1.650512016e+00 4.56 -7.914561910e-01 -1.366630398e+00 -1.606633645e+00 4.58 -7.677989988e-01 -1.330348960e+00 -1.563936581e+00 4.60 -7.447973517e-01 -1.294959237e+00 -1.522411378e+00 4.62 -7.224292732e-01 -1.260441171e+00 -1.482040310e+00 4.64 -7.006726361e-01 -1.226774565e+00 -1.442798324e+00 4.66 -6.795051547e-01 -1.193939152e+00 -1.404654441e+00 4.68 -6.589043822e-01 -1.161914687e+00 -1.367573361e+00 4.70 -6.388477143e-01 -1.130681033e+00 -1.331517094e+00 4.72 -6.193123994e-01 -1.100218258e+00 -1.296446463e+00 4.74 -6.002755570e-01 -1.070506730e+00 -1.262322367e+00 4.76 -5.817142077e-01 -1.041527197e+00 -1.229106790e+00 4.78 -5.636053169e-01 -1.013260853e+00 -1.196763523e+00 4.80 -5.459258578e-01 -9.856805772e-01 -1.165258637e+00 4.82 -5.286529014e-01 -9.587876799e-01 -1.134560741e+00 4.84 -5.117637409e-01 -9.325543276e-01 -1.104641064e+00 4.86 -4.952360617e-01 -9.069637652e-01 -1.075473393e+00 4.88 -4.790481674e-01 -8.819996614e-01 -1.047033933e+00 4.90 -4.631792739e-01 -8.576460399e-01 -1.019301083e+00 4.92 -4.476098786e-01 -8.338871982e-01 -9.922551936e-01 4.94 -4.323222103e-01 -8.107076188e-01 -9.658782957e-01 4.96 -4.173007553e-01 -7.880918789e-01 -9.401538431e-01 4.98 -4.025328461e-01 -7.660245656e-01 -9.150664629e-01 5.00 -3.880092834e-01 -7.444901985e-01 -8.906017325e-01 5.02 -3.737249496e-01 -7.234731673e-01 -8.667459829e-01 5.04 -3.596793487e-01 -7.029576850e-01 -8.434861318e-01 5.06 -3.458770015e-01 -6.829277621e-01 -8.208095460e-01 5.08 -3.323276104e-01 -6.633672027e-01 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-3.749766926e-01 -4.852850511e-01 5.46 -1.442359142e-01 -3.620165803e-01 -4.718653431e-01 5.48 -1.379328074e-01 -3.494072372e-01 -4.587949563e-01 5.50 -1.318585049e-01 -3.371627773e-01 -4.460636203e-01 5.52 -1.259945132e-01 -3.252964670e-01 -4.336611012e-01 5.54 -1.203257312e-01 -3.138197314e-01 -4.215724722e-01 5.56 -1.148406131e-01 -3.027412690e-01 -4.097976584e-01 5.58 -1.095311527e-01 -2.920663506e-01 -3.983209203e-01 5.60 -1.043926943e-01 -2.817963573e-01 -3.871320282e-01 5.62 -9.942358011e-02 -2.719285797e-01 -3.762206999e-01 5.64 -9.462465190e-02 -2.624562742e-01 -3.655765808e-01 5.66 -8.999863395e-02 -2.533689415e-01 -3.551892226e-01 5.68 -8.554943624e-02 -2.446527765e-01 -3.450480617e-01 5.70 -8.128142439e-02 -2.362912296e-01 -3.351423978e-01 5.72 -7.719871138e-02 -2.282656184e-01 -3.254613734e-01 5.74 -7.330452153e-02 -2.205557380e-01 -3.159939549e-01 5.76 -6.960066530e-02 -2.131404289e-01 -3.067289157e-01 5.78 -6.608716509e-02 -2.059980763e-01 -2.976548237e-01 5.80 -6.276203902e-02 -1.991070256e-01 -2.887600337e-01 5.82 -5.962124876e-02 -1.924459121e-01 -2.800326869e-01 5.84 -5.665879671e-02 -1.859939089e-01 -2.714607200e-01 5.86 -5.386693258e-02 -1.797309054e-01 -2.630318851e-01 5.88 -5.123644118e-02 -1.736376276e-01 -2.547337853e-01 5.90 -4.875679999e-02 -1.676957181e-01 -2.465539272e-01 5.92 -4.641689298e-02 -1.618877874e-01 -2.384797957e-01 5.94 -4.420530920e-02 -1.561974525e-01 -2.304989533e-01 5.96 -4.211045060e-02 -1.506093742e-01 -2.225991692e-01 5.98 -4.012083155e-02 -1.451093018e-01 -2.147685802e-01 6.00 -3.822532872e-02 -1.396841356e-01 -2.069958881e-01