# 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 = PtTa3 # 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 5.232876876e+02 nan nan 1.16 4.850202871e+02 nan nan 1.18 4.497601626e+02 nan nan 1.20 4.172420322e+02 nan nan 1.22 3.872159995e+02 nan nan 1.24 3.594527901e+02 nan nan 1.26 3.337450928e+02 nan nan 1.28 3.099054600e+02 4.604550131e+02 5.218497843e+02 1.30 2.877634810e+02 4.296601982e+02 4.876468882e+02 1.32 2.671640628e+02 4.010166977e+02 4.557930553e+02 1.34 2.479677126e+02 3.743657934e+02 4.260965190e+02 1.36 2.300526571e+02 3.495507096e+02 3.983731552e+02 1.38 2.133174099e+02 3.264164777e+02 3.724557605e+02 1.40 1.976815933e+02 3.048143444e+02 3.482024210e+02 1.42 1.830830163e+02 2.846086255e+02 3.254988521e+02 1.44 1.694708365e+02 2.656825635e+02 3.042531812e+02 1.46 1.567972107e+02 2.479409707e+02 2.843860943e+02 1.48 1.450106502e+02 2.313089995e+02 2.658213284e+02 1.50 1.340528532e+02 2.157271868e+02 2.484800708e+02 1.52 1.238592824e+02 2.011440119e+02 2.322800803e+02 1.54 1.143627370e+02 1.875085615e+02 2.171379522e+02 1.56 1.054980875e+02 1.747660018e+02 2.029719143e+02 1.58 9.720621373e+01 1.628568541e+02 1.897036663e+02 1.60 8.943628977e+01 1.517190925e+02 1.772596707e+02 1.62 8.214657144e+01 1.412913308e+02 1.655726832e+02 1.64 7.530406084e+01 1.315157412e+02 1.545833424e+02 1.66 6.888323641e+01 1.223400724e+02 1.442410859e+02 1.68 6.286399823e+01 1.137186558e+02 1.345039447e+02 1.70 5.722918724e+01 1.056124453e+02 1.253372052e+02 1.72 5.196223124e+01 9.798809528e+01 1.167112128e+02 1.74 4.704542591e+01 9.081617966e+01 1.085988242e+02 1.76 4.245913011e+01 8.406907136e+01 1.009731955e+02 1.78 3.818188461e+01 7.771935843e+01 9.380653562e+01 1.80 3.419247978e+01 7.173939933e+01 8.707002676e+01 1.82 3.048039227e+01 6.610189630e+01 8.073459776e+01 1.84 2.703436393e+01 6.078090183e+01 7.477198332e+01 1.86 2.387501953e+01 5.575273902e+01 6.915560900e+01 1.88 2.098242871e+01 5.099660761e+01 6.386108700e+01 1.90 1.833285037e+01 4.649485596e+01 5.886631456e+01 1.92 1.590529752e+01 4.223296910e+01 5.415128615e+01 1.94 1.368111771e+01 3.819931999e+01 4.969777135e+01 1.96 1.164364889e+01 3.438618269e+01 4.548898063e+01 1.98 9.777939159e+00 3.079589128e+01 4.150927209e+01 2.00 8.070507651e+00 2.742955490e+01 3.774390325e+01 2.02 6.509132649e+00 2.432726737e+01 3.418104009e+01 2.04 5.082665965e+00 2.148572212e+01 3.081647065e+01 2.06 3.780875556e+00 1.888614156e+01 2.763778866e+01 2.08 2.594311575e+00 1.650941769e+01 2.465565987e+01 2.10 1.514186386e+00 1.433669523e+01 2.188842089e+01 2.12 5.322668996e-01 1.234993314e+01 1.932282872e+01 2.14 -3.592077612e-01 1.053231985e+01 1.694711964e+01 2.16 -1.167566255e+00 8.868509925e+00 1.475086864e+01 2.18 -1.899700393e+00 7.344709063e+00 1.272452293e+01 2.20 -2.562034146e+00 5.948647491e+00 1.085890647e+01 2.22 -3.160492614e+00 4.669472745e+00 9.144802863e+00 2.24 -3.700489324e+00 3.497586045e+00 7.572708283e+00 2.26 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-7.366214158e+00 -6.529246861e+00 -5.989917297e+00 2.64 -7.364432840e+00 -6.690870771e+00 -6.207751299e+00 2.66 -7.352584290e+00 -6.832667919e+00 -6.398034984e+00 2.68 -7.331153616e+00 -6.955924555e+00 -6.562875097e+00 2.70 -7.300175911e+00 -7.061799868e+00 -6.704319408e+00 2.72 -7.259531359e+00 -7.151215015e+00 -6.824363857e+00 2.74 -7.209225993e+00 -7.225121436e+00 -6.924950917e+00 2.76 -7.149372721e+00 -7.284473519e+00 -7.007960480e+00 2.78 -7.080167629e+00 -7.330242616e+00 -7.075194520e+00 2.80 -7.001865867e+00 -7.363321463e+00 -7.128265347e+00 2.82 -6.914757223e+00 -7.384537386e+00 -7.168555975e+00 2.84 -6.819141856e+00 -7.395543625e+00 -7.197745671e+00 2.86 -6.715308032e+00 -7.397365772e+00 -7.217331205e+00 2.88 -6.603515258e+00 -7.390381895e+00 -7.228588467e+00 2.90 -6.483986459e+00 -7.374936128e+00 -7.233293988e+00 2.92 -6.356911616e+00 -7.351163449e+00 -7.232607569e+00 2.94 -6.222463173e+00 -7.319169487e+00 -7.226982521e+00 2.96 -6.080821518e+00 -7.279043561e+00 -7.216777990e+00 2.98 -5.932207522e+00 -7.230949370e+00 -7.202180853e+00 3.00 -5.776918298e+00 -7.175123254e+00 -7.183006961e+00 3.02 -5.615361916e+00 -7.111845964e+00 -7.159076186e+00 3.04 -5.448086456e+00 -7.041414345e+00 -7.130288475e+00 3.06 -5.275798629e+00 -6.964117001e+00 -7.096605122e+00 3.08 -5.099367545e+00 -6.880217393e+00 -7.058031737e+00 3.10 -4.919810384e+00 -6.789946234e+00 -7.014603057e+00 3.12 -4.738258941e+00 -6.693503202e+00 -6.966369730e+00 3.14 -4.555909041e+00 -6.591066574e+00 -6.913387197e+00 3.16 -4.373958123e+00 -6.482808654e+00 -6.855706801e+00 3.18 -4.193538964e+00 -6.368914679e+00 -6.793369216e+00 3.20 -4.015658789e+00 -6.249602858e+00 -6.726400320e+00 3.22 -3.841152336e+00 -6.125143239e+00 -6.654809530e+00 3.24 -3.670654984e+00 -5.995873097e+00 -6.578590571e+00 3.26 -3.504598409e+00 -5.862206526e+00 -6.497724509e+00 3.28 -3.343227429e+00 -5.724636257e+00 -6.412184719e+00 3.30 -3.186691551e+00 -5.583726407e+00 -6.321943264e+00 3.32 -3.035386774e+00 -5.440095932e+00 -6.226977990e+00 3.34 -2.889751821e+00 -5.294393990e+00 -6.127279480e+00 3.36 -2.750145311e+00 -5.147269728e+00 -6.022856895e+00 3.38 -2.616854007e+00 -4.999340031e+00 -5.913741779e+00 3.40 -2.490089511e+00 -4.851159128e+00 -5.799989042e+00 3.42 -2.369976585e+00 -4.703193590e+00 -5.681674713e+00 3.44 -2.256538516e+00 -4.555805244e+00 -5.558890576e+00 3.46 -2.149685274e+00 -4.409243245e+00 -5.431736460e+00 3.48 -2.049209329e+00 -4.263645188e+00 -5.300311527e+00 3.50 -1.954791692e+00 -4.119046127e+00 -5.164706290e+00 3.52 -1.866018291e+00 -3.975393743e+00 -5.024997160e+00 3.54 -1.782404503e+00 -3.832567997e+00 -4.881244916e+00 3.56 -1.703424288e+00 -3.690466293e+00 -4.733498051e+00 3.58 -1.628540033e+00 -3.549095589e+00 -4.581801192e+00 3.60 -1.557229788e+00 -3.408452220e+00 -4.426208234e+00 3.62 -1.489009660e+00 -3.268529253e+00 -4.266799416e+00 3.64 -1.423450317e+00 -3.129343190e+00 -4.103701197e+00 3.66 -1.360187590e+00 -2.990956017e+00 -3.937107552e+00 3.68 -1.298927763e+00 -2.853492152e+00 -3.767304364e+00 3.70 -1.239448448e+00 -2.717149794e+00 -3.594849507e+00 3.72 -1.181595962e+00 -2.582206156e+00 -3.420646315e+00 3.74 -1.125279966e+00 -2.449016149e+00 -3.245710582e+00 3.76 -1.070465983e+00 -2.318004354e+00 -3.071140071e+00 3.78 -1.017166266e+00 -2.189650561e+00 -2.898092217e+00 3.80 -9.654294215e-01 -2.064469714e+00 -2.727751688e+00 3.82 -9.153292634e-01 -1.942987744e+00 -2.561290457e+00 3.84 -8.669533659e-01 -1.825715278e+00 -2.399824112e+00 3.86 -8.203919212e-01 -1.713121588e+00 -2.244368799e+00 3.88 -7.757274943e-01 -1.605611115e+00 -2.095803107e+00 3.90 -7.330262558e-01 -1.503504643e+00 -1.954838595e+00 3.92 -6.923311548e-01 -1.407026601e+00 -1.822001356e+00 3.94 -6.536573249e-01 -1.316299213e+00 -1.697625607e+00 3.96 -6.169898166e-01 -1.231343413e+00 -1.581858699e+00 3.98 -5.822835512e-01 -1.152085791e+00 -1.474675828e+00 4.00 -5.494651706e-01 -1.078370300e+00 -1.375901906e+00 4.02 -5.184365448e-01 -1.009973231e+00 -1.285237770e+00 4.04 -4.890798901e-01 -9.466198947e-01 -1.202288066e+00 4.06 -4.612609541e-01 -8.880016031e-01 -1.126588565e+00 4.08 -4.348359929e-01 -8.337917445e-01 -1.057631236e+00 4.10 -4.096576185e-01 -7.836600412e-01 -9.948860481e-01 4.12 -3.855801481e-01 -7.372843650e-01 -9.378189722e-01 4.14 -3.624647777e-01 -6.943596544e-01 -8.859061172e-01 4.16 -3.401844584e-01 -6.546038780e-01 -8.386442266e-01 4.18 -3.186283657e-01 -6.177610398e-01 -7.955579462e-01 4.20 -2.977058338e-01 -5.836015418e-01 -7.562043679e-01 4.22 -2.773495723e-01 -5.519203736e-01 -7.201753701e-01 4.24 -2.575179281e-01 -5.225337530e-01 -6.870982510e-01 4.26 -2.381959226e-01 -4.952749265e-01 -6.566350918e-01 4.28 -2.193947945e-01 -4.699898194e-01 -6.284812267e-01 4.30 -2.011498521e-01 -4.465331287e-01 -6.023631204e-01 4.32 -1.835165872e-01 -4.247652622e-01 -5.780358980e-01 4.34 -1.665652074e-01 -4.045503212e-01 -5.552807083e-01 4.36 -1.503739767e-01 -3.857551093e-01 -5.339020608e-01 4.38 -1.350219819e-01 -3.682490325e-01 -5.137252337e-01 4.40 -1.205820187e-01 -3.519045899e-01 -4.945938229e-01 4.42 -1.071143791e-01 -3.365982191e-01 -4.763674798e-01 4.44 -9.466211455e-02 -3.222113721e-01 -4.589198901e-01 4.46 -8.324816466e-02 -3.086318498e-01 -4.421369647e-01 4.48 -7.287445200e-02 -2.957528806e-01 -4.259153073e-01 4.50 -6.352275906e-02 -2.834748571e-01 -4.101612144e-01 4.52 -5.515702553e-02 -2.717058319e-01 -3.947896443e-01 4.54 -4.772662155e-02 -2.603616022e-01 -3.797223239e-01 4.56 -4.117007314e-02 -2.493657657e-01 -3.648885807e-01 4.58 -3.541878799e-02 -2.386496957e-01 -3.502252261e-01 4.60 -3.040047928e-02 -2.281526592e-01 -3.356766721e-01 4.62 -2.604209824e-02 -2.178225005e-01 -3.211953753e-01 4.64 -2.227150728e-02 -2.076154537e-01 -3.067425582e-01 4.66 -1.902094643e-02 -1.974965648e-01 -2.922891463e-01 4.68 -1.622743374e-02 -1.874401992e-01 -2.778168374e-01 4.70 -1.383295237e-02 -1.774305408e-01 -2.633191890e-01 4.72 -1.178490343e-02 -1.674620093e-01 -2.488025838e-01 4.74 -1.003621191e-02 -1.575394973e-01 -2.342869100e-01 4.76 -8.545188864e-03 -1.476783182e-01 -2.198057809e-01 4.78 -7.275233424e-03 -1.379037579e-01 -2.054061328e-01 4.80 -6.194439988e-03 -1.282501481e-01 -1.911470739e-01 4.82 -5.275158602e-03 -1.187594218e-01 -1.770979226e-01 4.84 -4.493542634e-03 -1.094791588e-01 -1.633354619e-01 4.86 -3.829106787e-03 -1.004602183e-01 -1.499405397e-01 4.88 -3.264310035e-03 -9.175409745e-02 -1.369942413e-01 4.90 -2.784171746e-03 -8.341022023e-02 -1.245739344e-01 4.92 -2.375924800e-03 -7.547337670e-02 -1.127495245e-01 4.94 -2.028706648e-03 -6.798152735e-02 -1.015802421e-01 4.96 -1.733287199e-03 -6.096414322e-02 -9.111222141e-02 4.98 -1.481831211e-03 -5.444118835e-02 -8.137703154e-02 5.00 -1.267692272e-03 -4.842277608e-02 -7.239120907e-02 5.02 -1.085235218e-03 -4.290944280e-02 -6.415671044e-02 5.04 -9.296837108e-04 -3.789295080e-02 -5.666214913e-02 5.06 -7.969899070e-04 -3.335748276e-02 -4.988461694e-02 5.08 -6.837233428e-04 -2.928106429e-02 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-2.255966752e-03 -3.375014834e-03 5.46 -4.256280666e-05 -1.952420874e-03 -2.920880118e-03 5.48 -3.702958763e-05 -1.690309438e-03 -2.528736040e-03 5.50 -3.223650041e-05 -1.463951737e-03 -2.190084002e-03 5.52 -2.808176733e-05 -1.268435920e-03 -1.897575475e-03 5.54 -2.447798464e-05 -1.099519640e-03 -1.644863170e-03 5.56 -2.135004013e-05 -9.535420237e-04 -1.426470526e-03 5.58 -1.863333973e-05 -8.273461136e-04 -1.237673960e-03 5.60 -1.627229636e-05 -7.182108893e-04 -1.074402394e-03 5.62 -1.421904105e-05 -6.237919083e-04 -9.331481533e-04 5.64 -1.243232321e-05 -5.420696513e-04 -8.108896951e-04 5.66 -1.087657160e-05 -4.713046944e-04 -7.050245434e-04 5.68 -9.521091744e-06 -4.099988917e-04 -6.133112175e-04 5.70 -8.339379647e-06 -3.568618255e-04 -5.338190378e-04 5.72 -7.308534644e-06 -3.107818525e-04 -4.648848067e-04 5.74 -6.408756524e-06 -2.708011462e-04 -4.050754680e-04 5.76 -5.622914631e-06 -2.360942049e-04 -3.531559508e-04 5.78 -4.936178406e-06 -2.059493584e-04 -3.080614989e-04 5.80 -4.335700384e-06 -1.797528627e-04 -2.688738740e-04 5.82 -3.810343966e-06 -1.569752280e-04 -2.348008984e-04 5.84 -3.350449538e-06 -1.371594679e-04 -2.051588736e-04 5.86 -2.947633400e-06 -1.199110025e-04 -1.793574723e-04 5.88 -2.594614758e-06 -1.048889830e-04 -1.568867586e-04 5.90 -2.285066776e-06 -9.179883714e-05 -1.373060335e-04 5.92 -2.013488273e-06 -8.038586317e-05 -1.202342508e-04 5.94 -1.775093123e-06 -7.042972421e-05 -1.053417787e-04 5.96 -1.565714844e-06 -6.173971502e-05 -9.234331820e-05 5.98 -1.381724247e-06 -5.415069199e-05 -8.099181360e-05 6.00 -1.219958321e-06 -4.751957227e-05 -7.107321417e-05