# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoW2Zr # 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 2025-12-17 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 3.404308146e+02 3.404308146e+02 1.08 3.171143035e+02 3.171143035e+02 1.10 2.961723848e+02 2.961723848e+02 1.12 2.775441627e+02 2.775441627e+02 1.14 2.602791639e+02 2.602791639e+02 1.16 2.439584589e+02 2.439584589e+02 1.18 2.288215842e+02 2.288215842e+02 1.20 2.144275019e+02 2.144275019e+02 1.22 2.009306836e+02 2.009306836e+02 1.24 1.887783745e+02 1.887783745e+02 1.26 1.776886426e+02 1.776886426e+02 1.28 1.673796541e+02 1.673796541e+02 1.30 1.578135589e+02 1.578135589e+02 1.32 1.491422780e+02 1.491422780e+02 1.34 1.411748064e+02 1.411748064e+02 1.36 1.335106227e+02 1.335106227e+02 1.38 1.263625668e+02 1.263625668e+02 1.40 1.196780778e+02 1.196780778e+02 1.42 1.134903640e+02 1.134903640e+02 1.44 1.076291867e+02 1.076291867e+02 1.46 1.017752877e+02 1.017752877e+02 1.48 9.607968603e+01 9.607968603e+01 1.50 9.067072413e+01 9.067072413e+01 1.52 8.544440538e+01 8.544440538e+01 1.54 8.048299610e+01 8.048299610e+01 1.56 7.584127572e+01 7.584127572e+01 1.58 7.139062835e+01 7.139062835e+01 1.60 6.701975018e+01 6.701975018e+01 1.62 6.281286077e+01 6.281286077e+01 1.64 5.886236081e+01 5.886236081e+01 1.66 5.516862200e+01 5.516862200e+01 1.68 5.169632437e+01 5.169632437e+01 1.70 4.847393108e+01 4.847393108e+01 1.72 4.552544306e+01 4.552544306e+01 1.74 4.273174059e+01 4.273174059e+01 1.76 3.998235000e+01 3.998235000e+01 1.78 3.732752523e+01 3.732752523e+01 1.80 3.482526018e+01 3.482526018e+01 1.82 3.245208480e+01 3.245208480e+01 1.84 3.022058587e+01 3.022058587e+01 1.86 2.810594413e+01 2.810594413e+01 1.88 2.605665279e+01 2.605665279e+01 1.90 2.402647950e+01 2.402647950e+01 1.92 2.202833253e+01 2.202833253e+01 1.94 2.012667803e+01 2.012667803e+01 1.96 1.832632049e+01 1.832632049e+01 1.98 1.659424264e+01 1.659424264e+01 2.00 1.488035197e+01 1.488035197e+01 2.02 1.323115329e+01 1.323115329e+01 2.04 1.175914985e+01 1.175914985e+01 2.06 1.046171349e+01 1.046171349e+01 2.08 9.307382281e+00 9.307382281e+00 2.10 8.311401373e+00 8.311401373e+00 2.12 7.455372578e+00 7.455372578e+00 2.14 6.615913528e+00 6.615913528e+00 2.16 5.798532337e+00 5.798532337e+00 2.18 5.006933982e+00 5.006933982e+00 2.20 4.255611513e+00 4.255611513e+00 2.22 3.562680051e+00 3.562680051e+00 2.24 2.919971586e+00 2.919971586e+00 2.26 2.306295847e+00 2.306295847e+00 2.28 1.717488942e+00 1.717488942e+00 2.30 1.173484757e+00 1.173484757e+00 2.32 5.053901664e-01 5.053901664e-01 2.34 -5.176701809e-01 -5.176701809e-01 2.36 -1.520286683e+00 -1.520286683e+00 2.38 -2.403345809e+00 -2.403345809e+00 2.40 -3.144161654e+00 -3.144161654e+00 2.42 -3.739131886e+00 -3.739131886e+00 2.44 -4.227563906e+00 -4.227563906e+00 2.46 -4.650837613e+00 -4.650837613e+00 2.48 -5.043422040e+00 -5.043422040e+00 2.50 -5.408965217e+00 -5.408965217e+00 2.52 -5.725344091e+00 -5.725344091e+00 2.54 -6.029803361e+00 -6.029803361e+00 2.56 -6.307060139e+00 -6.307060139e+00 2.58 -6.554477839e+00 -6.554477839e+00 2.60 -6.772097673e+00 -6.772097673e+00 2.62 -6.963045701e+00 -6.963045701e+00 2.64 -7.120426599e+00 -7.120426599e+00 2.66 -7.255593657e+00 -7.255593657e+00 2.68 -7.370284068e+00 -7.370284068e+00 2.70 -7.466736211e+00 -7.466736211e+00 2.72 -7.543323106e+00 -7.543323106e+00 2.74 -7.602798953e+00 -7.602798953e+00 2.76 -7.644915861e+00 -7.644915861e+00 2.78 -7.673603681e+00 -7.673603681e+00 2.80 -7.690578538e+00 -7.690578538e+00 2.82 -7.695123408e+00 -7.695123408e+00 2.84 -7.684294636e+00 -7.684294636e+00 2.86 -7.650360242e+00 -7.650360242e+00 2.88 -7.598876128e+00 -7.598876128e+00 2.90 -7.542478769e+00 -7.542478769e+00 2.92 -7.476574581e+00 -7.476574581e+00 2.94 -7.396717029e+00 -7.396717029e+00 2.96 -7.306476871e+00 -7.306476871e+00 2.98 -7.218130714e+00 -7.218130714e+00 3.00 -7.130959045e+00 -7.130959045e+00 3.02 -7.034270293e+00 -7.034270293e+00 3.04 -6.952909314e+00 -6.952909314e+00 3.06 -6.894586674e+00 -6.894586674e+00 3.08 -6.839363777e+00 -6.839363777e+00 3.10 -6.767128198e+00 -6.767128198e+00 3.12 -6.661376608e+00 -6.661376608e+00 3.14 -6.540766191e+00 -6.540766191e+00 3.16 -6.421314268e+00 -6.421314268e+00 3.18 -6.323464940e+00 -6.323464940e+00 3.20 -6.258509907e+00 -6.258509907e+00 3.22 -6.214438634e+00 -6.214438634e+00 3.24 -6.178022109e+00 -6.178022109e+00 3.26 -6.136246666e+00 -6.136246666e+00 3.28 -6.072863867e+00 -6.072863867e+00 3.30 -5.998568208e+00 -5.998568208e+00 3.32 -5.916448569e+00 -5.916448569e+00 3.34 -5.831835333e+00 -5.831835333e+00 3.36 -5.759862481e+00 -5.759862481e+00 3.38 -5.700326065e+00 -5.700326065e+00 3.40 -5.622037539e+00 -5.622037539e+00 3.42 -5.495673670e+00 -5.495673670e+00 3.44 -5.384174747e+00 -5.384174747e+00 3.46 -5.282046757e+00 -5.282046757e+00 3.48 -5.180097532e+00 -5.180097532e+00 3.50 -5.077009331e+00 -5.077009331e+00 3.52 -4.979770444e+00 -4.979770444e+00 3.54 -4.898484059e+00 -4.898484059e+00 3.56 -4.845723813e+00 -4.845723813e+00 3.58 -4.822339329e+00 -4.822339329e+00 3.60 -4.815422352e+00 -4.815422352e+00 3.62 -4.810397080e+00 -4.810397080e+00 3.64 -4.792495490e+00 -4.792495490e+00 3.66 -4.756711444e+00 -4.756711444e+00 3.68 -4.710834259e+00 -4.710834259e+00 3.70 -4.662865544e+00 -4.662865544e+00 3.72 -4.620732469e+00 -4.620732469e+00 3.74 -4.585099083e+00 -4.585099083e+00 3.76 -4.545986992e+00 -4.545986992e+00 3.78 -4.489906772e+00 -4.489906772e+00 3.80 -4.387963194e+00 -4.387963194e+00 3.82 -4.248036257e+00 -4.248036257e+00 3.84 -4.082066565e+00 -4.082066565e+00 3.86 -3.826529163e+00 -3.826529163e+00 3.88 -3.471002183e+00 -3.471002183e+00 3.90 -3.125451754e+00 -3.125451754e+00 3.92 -2.816765651e+00 -2.816765651e+00 3.94 -2.619122633e+00 -2.619122633e+00 3.96 -2.468861526e+00 -2.468861526e+00 3.98 -2.339319408e+00 -2.339319408e+00 4.00 -2.239649154e+00 -2.239649154e+00 4.02 -2.164083679e+00 -2.164083679e+00 4.04 -2.103936696e+00 -2.103936696e+00 4.06 -2.052413674e+00 -2.052413674e+00 4.08 -2.005394909e+00 -2.005394909e+00 4.10 -1.960930462e+00 -1.960930462e+00 4.12 -1.919048137e+00 -1.919048137e+00 4.14 -1.881041541e+00 -1.881041541e+00 4.16 -1.847763007e+00 -1.847763007e+00 4.18 -1.819991629e+00 -1.819991629e+00 4.20 -1.798462602e+00 -1.798462602e+00 4.22 -1.783880496e+00 -1.783880496e+00 4.24 -1.776299387e+00 -1.776299387e+00 4.26 -1.775284170e+00 -1.775284170e+00 4.28 -1.780351560e+00 -1.780351560e+00 4.30 -1.790985105e+00 -1.790985105e+00 4.32 -1.806659307e+00 -1.806659307e+00 4.34 -1.826700920e+00 -1.826700920e+00 4.36 -1.849518784e+00 -1.849518784e+00 4.38 -1.873113043e+00 -1.873113043e+00 4.40 -1.895491371e+00 -1.895491371e+00 4.42 -1.914643169e+00 -1.914643169e+00 4.44 -1.928533637e+00 -1.928533637e+00 4.46 -1.935430702e+00 -1.935430702e+00 4.48 -1.935510804e+00 -1.935510804e+00 4.50 -1.930743336e+00 -1.930743336e+00 4.52 -1.923324061e+00 -1.923324061e+00 4.54 -1.915469477e+00 -1.915469477e+00 4.56 -1.909414344e+00 -1.909414344e+00 4.58 -1.906677517e+00 -1.906677517e+00 4.60 -1.907184445e+00 -1.907184445e+00 4.62 -1.909609777e+00 -1.909609777e+00 4.64 -1.911645009e+00 -1.911645009e+00 4.66 -1.910911094e+00 -1.910911094e+00 4.68 -1.905096451e+00 -1.905096451e+00 4.70 -1.892998250e+00 -1.892998250e+00 4.72 -1.874980772e+00 -1.874980772e+00 4.74 -1.851948302e+00 -1.851948302e+00 4.76 -1.825910669e+00 -1.825910669e+00 4.78 -1.799283940e+00 -1.799283940e+00 4.80 -1.774420910e+00 -1.774420910e+00 4.82 -1.752268505e+00 -1.752268505e+00 4.84 -1.732435847e+00 -1.732435847e+00 4.86 -1.714385422e+00 -1.714385422e+00 4.88 -1.697025873e+00 -1.697025873e+00 4.90 -1.678071293e+00 -1.678071293e+00 4.92 -1.655319939e+00 -1.655319939e+00 4.94 -1.629491303e+00 -1.629491303e+00 4.96 -1.602598235e+00 -1.602598235e+00 4.98 -1.577033645e+00 -1.577033645e+00 5.00 -1.555995589e+00 -1.555995589e+00 5.02 -1.543735878e+00 -1.543735878e+00 5.04 -1.543210822e+00 -1.543210822e+00 5.06 -1.549948765e+00 -1.549948765e+00 5.08 -1.557649069e+00 -1.557649069e+00 5.10 -1.560904240e+00 -1.560904240e+00 5.12 -1.554941027e+00 -1.554941027e+00 5.14 -1.535069579e+00 -1.535069579e+00 5.16 -1.498894244e+00 -1.498894244e+00 5.18 -1.449436505e+00 -1.449436505e+00 5.20 -1.390109157e+00 -1.390109157e+00 5.22 -1.324709807e+00 -1.324709807e+00 5.24 -1.260553188e+00 -1.260553188e+00 5.26 -1.206477874e+00 -1.206477874e+00 5.28 -1.166237758e+00 -1.166237758e+00 5.30 -1.137164679e+00 -1.137164679e+00 5.32 -1.116206208e+00 -1.116206208e+00 5.34 -1.100602794e+00 -1.100602794e+00 5.36 -1.087558594e+00 -1.087558594e+00 5.38 -1.073978048e+00 -1.073978048e+00 5.40 -1.057253221e+00 -1.057253221e+00 5.42 -1.037156550e+00 -1.037156550e+00 5.44 -1.014352677e+00 -1.014352677e+00 5.46 -9.896090572e-01 -9.896090572e-01 5.48 -9.636782124e-01 -9.636782124e-01 5.50 -9.373218637e-01 -9.373218637e-01 5.52 -9.113102250e-01 -9.113102250e-01 5.54 -8.864047083e-01 -8.864047083e-01 5.56 -8.629720836e-01 -8.629720836e-01 5.58 -8.408603641e-01 -8.408603641e-01 5.60 -8.198430679e-01 -8.198430679e-01 5.62 -7.997059714e-01 -7.997059714e-01 5.64 -7.803285139e-01 -7.803285139e-01 5.66 -7.616515523e-01 -7.616515523e-01 5.68 -7.436312352e-01 -7.436312352e-01 5.70 -7.264769118e-01 -7.264769118e-01 5.72 -7.105923865e-01 -7.105923865e-01 5.74 -6.964613264e-01 -6.964613264e-01 5.76 -6.846779720e-01 -6.846779720e-01 5.78 -6.758162435e-01 -6.758162435e-01 5.80 -6.704200763e-01 -6.704200763e-01 5.82 -6.684804904e-01 -6.684804904e-01 5.84 -6.685174251e-01 -6.685174251e-01 5.86 -6.686130981e-01 -6.686130981e-01 5.88 -6.668182318e-01 -6.668182318e-01 5.90 -6.613424248e-01 -6.613424248e-01 5.92 -6.507097874e-01 -6.507097874e-01 5.94 -6.338935153e-01 -6.338935153e-01 5.96 -6.107647424e-01 -6.107647424e-01 5.98 -5.818610649e-01 -5.818610649e-01 6.00 -5.472974253e-01 -5.472974253e-01