# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CuNi3 # 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 2022-05-24 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 -3.560630176e+02 nan nan 0.96 -3.323667928e+02 nan nan 0.98 -3.111103063e+02 nan nan 1.00 -2.918451409e+02 nan nan 1.02 -2.743391104e+02 nan nan 1.04 -2.585002830e+02 -3.425031545e+02 nan 1.06 -2.439304494e+02 -3.229027217e+02 -3.532788051e+02 1.08 -2.300235135e+02 -3.047074461e+02 -3.332002041e+02 1.10 -2.163027644e+02 -2.876921621e+02 -3.138698222e+02 1.12 -2.029610175e+02 -2.713580037e+02 -2.955158558e+02 1.14 -1.902800369e+02 -2.555427327e+02 -2.783958070e+02 1.16 -1.787434615e+02 -2.405339193e+02 -2.626358433e+02 1.18 -1.684087357e+02 -2.264607663e+02 -2.481516722e+02 1.20 -1.592719381e+02 -2.137559585e+02 -2.350068604e+02 1.22 -1.507524532e+02 -2.024975562e+02 -2.232730763e+02 1.24 -1.423737755e+02 -1.922339542e+02 -2.124270100e+02 1.26 -1.338087374e+02 -1.825008184e+02 -2.021499244e+02 1.28 -1.250829950e+02 -1.734765283e+02 -1.921093873e+02 1.30 -1.164128435e+02 -1.648353473e+02 -1.822537764e+02 1.32 -1.079207729e+02 -1.564572831e+02 -1.727423331e+02 1.34 -9.947981880e+01 -1.481600655e+02 -1.634837791e+02 1.36 -9.127730250e+01 -1.400979729e+02 -1.546415503e+02 1.38 -8.344322256e+01 -1.323106010e+02 -1.462543862e+02 1.40 -7.580830769e+01 -1.249882257e+02 -1.382130665e+02 1.42 -6.837578395e+01 -1.178448603e+02 -1.305056170e+02 1.44 -6.120199882e+01 -1.106928648e+02 -1.231020352e+02 1.46 -5.452229838e+01 -1.035684882e+02 -1.161200932e+02 1.48 -4.816374410e+01 -9.633356243e+01 -1.094395602e+02 1.50 -4.209065203e+01 -8.910714453e+01 -1.028992094e+02 1.52 -3.625198307e+01 -8.197679312e+01 -9.626542378e+01 1.54 -3.075869336e+01 -7.496326685e+01 -8.941417454e+01 1.56 -2.568467961e+01 -6.801967787e+01 -8.253878483e+01 1.58 -2.106448910e+01 -6.108687856e+01 -7.567464474e+01 1.60 -1.680152792e+01 -5.408414307e+01 -6.895314232e+01 1.62 -1.271400128e+01 -4.700872904e+01 -6.239464790e+01 1.64 -8.674849199e+00 -4.005256263e+01 -5.598301297e+01 1.66 -5.471239580e+00 -3.348838805e+01 -4.970810267e+01 1.68 -3.207618523e+00 -2.734285933e+01 -4.377602225e+01 1.70 -1.787397025e+00 -2.167156939e+01 -3.798486222e+01 1.72 -1.014273415e+00 -1.648242019e+01 -3.241495979e+01 1.74 -6.866327796e-01 -1.183880053e+01 -2.711830018e+01 1.76 -6.419453766e-01 -7.881369972e+00 -2.207854428e+01 1.78 -7.572827574e-01 -5.039803465e+00 -1.734239786e+01 1.80 -9.683910414e-01 -3.149992894e+00 -1.290620174e+01 1.82 -1.216029437e+00 -1.910502938e+00 -8.885521309e+00 1.84 -1.469234384e+00 -1.130958357e+00 -5.741639607e+00 1.86 -1.716041695e+00 -6.845370586e-01 -3.518781873e+00 1.88 -1.955568252e+00 -4.842851071e-01 -2.050584750e+00 1.90 -2.192565808e+00 -4.566802496e-01 -1.148182883e+00 1.92 -2.427004778e+00 -5.420817021e-01 -6.214641354e-01 1.94 -2.656307464e+00 -7.006861922e-01 -3.581188872e-01 1.96 -2.861976934e+00 -9.091882361e-01 -2.797866408e-01 1.98 -3.056859355e+00 -1.152815905e+00 -3.347482512e-01 2.00 -3.227650725e+00 -1.418708442e+00 -4.840736671e-01 2.02 -3.372827627e+00 -1.696226719e+00 -6.956518222e-01 2.04 -3.494491582e+00 -1.980566726e+00 -9.485538329e-01 2.06 -3.595611673e+00 -2.263909459e+00 -1.221837734e+00 2.08 -3.681733791e+00 -2.540396280e+00 -1.501127990e+00 2.10 -3.757744120e+00 -2.804172694e+00 -1.776465940e+00 2.12 -3.826687906e+00 -3.049617425e+00 -2.042327722e+00 2.14 -3.883427278e+00 -3.259768517e+00 -2.292675535e+00 2.16 -3.937030839e+00 -3.444730490e+00 -2.529727998e+00 2.18 -3.984495729e+00 -3.596099091e+00 -2.753237457e+00 2.20 -4.017738619e+00 -3.713203333e+00 -2.962032038e+00 2.22 -4.045792486e+00 -3.799463581e+00 -3.154521225e+00 2.24 -4.062219044e+00 -3.862738394e+00 -3.332274740e+00 2.26 -4.069845549e+00 -3.911574024e+00 -3.497452275e+00 2.28 -4.067524704e+00 -3.952738306e+00 -3.636052098e+00 2.30 -4.056147360e+00 -3.988895128e+00 -3.763877907e+00 2.32 -4.036723678e+00 -4.021746373e+00 -3.873982253e+00 2.34 -4.010037704e+00 -4.041867554e+00 -3.966196678e+00 2.36 -3.976624840e+00 -4.064017784e+00 -4.040994747e+00 2.38 -3.936880851e+00 -4.083879424e+00 -4.099529949e+00 2.40 -3.891223782e+00 -4.089506581e+00 -4.143466198e+00 2.42 -3.840060387e+00 -4.095374839e+00 -4.174797515e+00 2.44 -3.784034393e+00 -4.094846510e+00 -4.196044727e+00 2.46 -3.723985885e+00 -4.088431456e+00 -4.206724002e+00 2.48 -3.660794839e+00 -4.077343033e+00 -4.212934181e+00 2.50 -3.595482554e+00 -4.062718178e+00 -4.214531400e+00 2.52 -3.528900372e+00 -4.044714523e+00 -4.211528021e+00 2.54 -3.461562890e+00 -4.023004761e+00 -4.202725797e+00 2.56 -3.390960967e+00 -3.997483709e+00 -4.186979582e+00 2.58 -3.320926154e+00 -3.968170900e+00 -4.164384509e+00 2.60 -3.250367814e+00 -3.933587756e+00 -4.135701373e+00 2.62 -3.180076524e+00 -3.896222156e+00 -4.101842538e+00 2.64 -3.110169272e+00 -3.855652124e+00 -4.063858909e+00 2.66 -3.040094412e+00 -3.812310261e+00 -4.022899580e+00 2.68 -2.968296279e+00 -3.766440875e+00 -3.980156590e+00 2.70 -2.888797887e+00 -3.718188966e+00 -3.926173983e+00 2.72 -2.807131443e+00 -3.667685318e+00 -3.876206936e+00 2.74 -2.720120077e+00 -3.615036013e+00 -3.825111071e+00 2.76 -2.627375833e+00 -3.560348529e+00 -3.773135961e+00 2.78 -2.528833644e+00 -3.503834927e+00 -3.720120360e+00 2.80 -2.425112057e+00 -3.445850855e+00 -3.665913279e+00 2.82 -2.317761770e+00 -3.386741705e+00 -3.610411393e+00 2.84 -2.209640016e+00 -3.326754582e+00 -3.553550553e+00 2.86 -2.103721127e+00 -3.265857911e+00 -3.495377528e+00 2.88 -2.002306439e+00 -3.203508352e+00 -3.436054172e+00 2.90 -1.907037822e+00 -3.139197613e+00 -3.375831991e+00 2.92 -1.818776368e+00 -3.072774574e+00 -3.315023966e+00 2.94 -1.737589654e+00 -3.003817798e+00 -3.253980884e+00 2.96 -1.662851759e+00 -2.931630680e+00 -3.193081704e+00 2.98 -1.593615950e+00 -2.855774444e+00 -3.132580157e+00 3.00 -1.528585202e+00 -2.775367131e+00 -3.070579455e+00 3.02 -1.466992800e+00 -2.690479058e+00 -3.006634319e+00 3.04 -1.408012696e+00 -2.603091146e+00 -2.943114843e+00 3.06 -1.351094007e+00 -2.513152666e+00 -2.878216837e+00 3.08 -1.296046158e+00 -2.421326297e+00 -2.811434750e+00 3.10 -1.242852895e+00 -2.328149708e+00 -2.741939432e+00 3.12 -1.191564406e+00 -2.234212304e+00 -2.668795474e+00 3.14 -1.142229538e+00 -2.138291495e+00 -2.591023398e+00 3.16 -1.094930300e+00 -2.045505954e+00 -2.507728912e+00 3.18 -1.049871292e+00 -1.955702901e+00 -2.418299720e+00 3.20 -1.007333177e+00 -1.869780255e+00 -2.322594170e+00 3.22 -9.597071331e-01 -1.788146520e+00 -2.221688823e+00 3.24 -9.184169291e-01 -1.710869122e+00 -2.117538884e+00 3.26 -8.790185459e-01 -1.637745599e+00 -2.012140516e+00 3.28 -8.415345719e-01 -1.568367740e+00 -1.907298827e+00 3.30 -8.058768555e-01 -1.502197437e+00 -1.804490496e+00 3.32 -7.718442414e-01 -1.438651822e+00 -1.704820933e+00 3.34 -7.419970129e-01 -1.377185465e+00 -1.609056963e+00 3.36 -7.118992032e-01 -1.317407613e+00 -1.517703592e+00 3.38 -6.829135213e-01 -1.259114625e+00 -1.431082208e+00 3.40 -6.547257596e-01 -1.202269229e+00 -1.349366276e+00 3.42 -6.270222163e-01 -1.147031229e+00 -1.272645337e+00 3.44 -5.995162338e-01 -1.093623595e+00 -1.200953401e+00 3.46 -5.719980291e-01 -1.042261116e+00 -1.134285433e+00 3.48 -5.486209265e-01 -9.931083918e-01 -1.071052928e+00 3.50 -5.230994705e-01 -9.462557211e-01 -1.013372459e+00 3.52 -4.980047476e-01 -9.017139139e-01 -9.602019271e-01 3.54 -4.733461290e-01 -8.594241211e-01 -9.113865050e-01 3.56 -4.491325460e-01 -8.192765478e-01 -8.667581310e-01 3.58 -4.253725000e-01 -7.811355493e-01 -8.261371263e-01 3.60 -4.020738711e-01 -7.448568218e-01 -7.893322242e-01 3.62 -3.792440778e-01 -7.102917517e-01 -7.561392350e-01 3.64 -3.568896210e-01 -6.772970644e-01 -7.263410612e-01 3.66 -3.350163746e-01 -6.457716118e-01 -6.997110210e-01 3.68 -3.136291003e-01 -6.156197639e-01 -6.760002664e-01 3.70 -2.927319949e-01 -5.868070934e-01 -6.549241833e-01 3.72 -2.723277094e-01 -5.592295607e-01 -6.361437893e-01 3.74 -2.524175683e-01 -5.328065730e-01 -6.192824311e-01 3.76 -2.330089788e-01 -5.074576073e-01 -6.039339645e-01 3.78 -2.141380390e-01 -4.831023992e-01 -5.896718207e-01 3.80 -1.958480520e-01 -4.596612715e-01 -5.760652980e-01 3.82 -1.781812117e-01 -4.370550920e-01 -5.627005993e-01 3.84 -1.611786010e-01 -4.152057392e-01 -5.492046271e-01 3.86 -1.448805299e-01 -3.940422005e-01 -5.352760056e-01 3.88 -1.293286405e-01 -3.735447086e-01 -5.207711580e-01 3.90 -1.145530663e-01 -3.537175167e-01 -5.056619838e-01 3.92 -1.005490637e-01 -3.345625685e-01 -4.899897677e-01 3.94 -8.730278752e-02 -3.160776207e-01 -4.738705304e-01 3.96 -7.479775320e-02 -2.982557507e-01 -4.574472816e-01 3.98 -6.301475358e-02 -2.810883753e-01 -4.408601363e-01 4.00 -5.193181834e-02 -2.645653752e-01 -4.242294648e-01 4.02 -4.152446853e-02 -2.486752541e-01 -4.076466355e-01 4.04 -3.176561140e-02 -2.333694047e-01 -3.911706857e-01 4.06 -2.261294950e-02 -2.178252411e-01 -3.748303298e-01 4.08 -1.340545017e-02 -2.007424085e-01 -3.586285720e-01 4.10 -2.903865337e-03 -1.811911236e-01 -3.425498843e-01 4.12 9.891073189e-03 -1.586182987e-01 -3.265676691e-01 4.14 2.570916868e-02 -1.328073518e-01 -3.106512083e-01 4.16 4.502445028e-02 -1.038388370e-01 -2.947684123e-01 4.18 6.807025976e-02 -7.207351541e-02 -2.788858393e-01 4.20 9.485413494e-02 -3.812063670e-02 -2.629777266e-01 4.22 1.251690408e-01 -2.821483315e-03 -2.470669162e-01 4.24 1.586171520e-01 3.282003422e-02 -2.311914626e-01 4.26 1.946322233e-01 6.770015969e-02 -2.156318720e-01 4.28 2.325028270e-01 1.006709809e-01 -2.000519748e-01 4.30 2.713894611e-01 1.305968978e-01 -1.846466601e-01 4.32 3.103452585e-01 1.564162345e-01 -1.694526545e-01 4.34 3.483443524e-01 1.772020977e-01 -1.545049216e-01 4.36 3.843137156e-01 1.922220950e-01 -1.398369920e-01 4.38 4.171686273e-01 2.009957708e-01 -1.254804878e-01 4.40 4.458518861e-01 2.033432304e-01 -1.114654724e-01 4.42 4.693737664e-01 1.994226157e-01 -9.782001618e-02 4.44 4.868550581e-01 1.897481929e-01 -8.457057294e-02 4.46 4.975679903e-01 1.751843076e-01 -7.174176214e-02 4.48 5.009779051e-01 1.569079505e-01 -5.935649069e-02 4.50 4.967818521e-01 1.363340039e-01 -4.743580734e-02 4.52 4.849372101e-01 1.152149595e-01 -3.599913247e-02 4.54 4.656565500e-01 9.574026953e-02 -2.499722432e-02 4.56 4.394487845e-01 7.983780004e-02 -1.366995797e-02 4.58 4.071358652e-01 6.891672791e-02 -1.032914770e-03 4.60 3.698392017e-01 6.378132594e-02 1.368905624e-02 4.62 3.289428115e-01 6.462736697e-02 3.106838825e-02 4.64 2.860300324e-01 7.112536912e-02 5.148439747e-02 4.66 2.427916515e-01 8.257616305e-02 7.513365462e-02 4.68 2.009679217e-01 9.809922437e-02 1.020415094e-01 4.70 1.621853645e-01 1.168043560e-01 1.320740776e-01 4.72 1.276983429e-01 1.379033477e-01 1.649512277e-01 4.74 9.828305551e-02 1.607470043e-01 2.002611368e-01 4.76 7.419841920e-02 1.848004902e-01 2.374756448e-01 4.78 5.522138748e-02 2.096027020e-01 2.759868470e-01 4.80 4.074828754e-02 2.347103842e-01 3.151245927e-01 4.82 2.994305288e-02 2.596397700e-01 3.541522190e-01 4.84 2.190349412e-02 2.838720194e-01 3.922837033e-01 4.86 1.580284950e-02 3.068722805e-01 4.287053569e-01 4.88 1.097621973e-02 3.281022445e-01 4.625931528e-01 4.90 9.839893110e-03 3.470360797e-01 4.931368172e-01 4.92 7.504633654e-03 3.631745267e-01 5.195591104e-01 4.94 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