# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = Ga2InN # 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 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 7.755231299e+02 7.755231299e+02 1.26 6.883498549e+02 6.883498549e+02 1.28 6.114059191e+02 6.114059191e+02 1.30 5.436937929e+02 5.436937929e+02 1.32 4.841380103e+02 4.841380103e+02 1.34 4.316513747e+02 4.316513747e+02 1.36 3.851761861e+02 3.851761861e+02 1.38 3.438339642e+02 3.438339642e+02 1.40 3.073053273e+02 3.073053273e+02 1.42 2.755213827e+02 2.755213827e+02 1.44 2.479513880e+02 2.479513880e+02 1.46 2.238193831e+02 2.238193831e+02 1.48 2.025351849e+02 2.025351849e+02 1.50 1.836837601e+02 1.836837601e+02 1.52 1.669315564e+02 1.669315564e+02 1.54 1.520019857e+02 1.520019857e+02 1.56 1.386651169e+02 1.386651169e+02 1.58 1.267217622e+02 1.267217622e+02 1.60 1.159913951e+02 1.159913951e+02 1.62 1.063113682e+02 1.063113682e+02 1.64 9.754136812e+01 9.754136812e+01 1.66 8.956487938e+01 8.956487938e+01 1.68 8.228589351e+01 8.228589351e+01 1.70 7.562442401e+01 7.562442401e+01 1.72 6.951291079e+01 6.951291079e+01 1.74 6.389377570e+01 6.389377570e+01 1.76 5.871754804e+01 5.871754804e+01 1.78 5.394153852e+01 5.394153852e+01 1.80 4.952873111e+01 4.952873111e+01 1.82 4.544677537e+01 4.544677537e+01 1.84 4.166703462e+01 4.166703462e+01 1.86 3.816241956e+01 3.816241956e+01 1.88 3.490118499e+01 3.490118499e+01 1.90 3.183516390e+01 3.183516390e+01 1.92 2.889614296e+01 2.889614296e+01 1.94 2.603164046e+01 2.603164046e+01 1.96 2.327084263e+01 2.327084263e+01 1.98 2.072908902e+01 2.072908902e+01 2.00 1.850636225e+01 1.850636225e+01 2.02 1.659933727e+01 1.659933727e+01 2.04 1.492918835e+01 1.492918835e+01 2.06 1.341875969e+01 1.341875969e+01 2.08 1.202520241e+01 1.202520241e+01 2.10 1.073013097e+01 1.073013097e+01 2.12 9.524952325e+00 9.524952325e+00 2.14 8.404666647e+00 8.404666647e+00 2.16 7.366426040e+00 7.366426040e+00 2.18 6.408891106e+00 6.408891106e+00 2.20 5.531035935e+00 5.531035935e+00 2.22 4.730868834e+00 4.730868834e+00 2.24 4.004761402e+00 4.004761402e+00 2.26 3.347689286e+00 3.347689286e+00 2.28 2.754004915e+00 2.754004915e+00 2.30 2.218280033e+00 2.218280033e+00 2.32 1.735701690e+00 1.735701690e+00 2.34 1.302035580e+00 1.302035580e+00 2.36 9.135951172e-01 9.135951172e-01 2.38 5.669758543e-01 5.669758543e-01 2.40 2.589569338e-01 2.589569338e-01 2.42 -1.354677930e-02 -1.354677930e-02 2.44 -2.534976459e-01 -2.534976459e-01 2.46 -4.637233686e-01 -4.637233686e-01 2.48 -6.469086652e-01 -6.469086652e-01 2.50 -8.055840546e-01 -8.055840546e-01 2.52 -9.421195515e-01 -9.421195515e-01 2.54 -1.058722198e+00 -1.058722198e+00 2.56 -1.157437114e+00 -1.157437114e+00 2.58 -1.240151330e+00 -1.240151330e+00 2.60 -1.308599688e+00 -1.308599688e+00 2.62 -1.364371873e+00 -1.364371873e+00 2.64 -1.408922127e+00 -1.408922127e+00 2.66 -1.443575480e+00 -1.443575480e+00 2.68 -1.469538719e+00 -1.469538719e+00 2.70 -1.487908066e+00 -1.487908066e+00 2.72 -1.499680809e+00 -1.499680809e+00 2.74 -1.505758958e+00 -1.505758958e+00 2.76 -1.506961088e+00 -1.506961088e+00 2.78 -1.504028610e+00 -1.504028610e+00 2.80 -1.497632488e+00 -1.497632488e+00 2.82 -1.488379139e+00 -1.488379139e+00 2.84 -1.476815326e+00 -1.476815326e+00 2.86 -1.463432154e+00 -1.463432154e+00 2.88 -1.448668132e+00 -1.448668132e+00 2.90 -1.432911490e+00 -1.432911490e+00 2.92 -1.416501910e+00 -1.416501910e+00 2.94 -1.399731916e+00 -1.399731916e+00 2.96 -1.382848009e+00 -1.382848009e+00 2.98 -1.366052936e+00 -1.366052936e+00 3.00 -1.349506195e+00 -1.349506195e+00 3.02 -1.333326909e+00 -1.333326909e+00 3.04 -1.317598739e+00 -1.317598739e+00 3.06 -1.302369573e+00 -1.302369573e+00 3.08 -1.287658630e+00 -1.287658630e+00 3.10 -1.273459974e+00 -1.273459974e+00 3.12 -1.259747221e+00 -1.259747221e+00 3.14 -1.246478255e+00 -1.246478255e+00 3.16 -1.233599774e+00 -1.233599774e+00 3.18 -1.221051499e+00 -1.221051499e+00 3.20 -1.208769892e+00 -1.208769892e+00 3.22 -1.196691270e+00 -1.196691270e+00 3.24 -1.184754300e+00 -1.184754300e+00 3.26 -1.172900567e+00 -1.172900567e+00 3.28 -1.161081383e+00 -1.161081383e+00 3.30 -1.149249268e+00 -1.149249268e+00 3.32 -1.137365088e+00 -1.137365088e+00 3.34 -1.125395943e+00 -1.125395943e+00 3.36 -1.113314785e+00 -1.113314785e+00 3.38 -1.101099849e+00 -1.101099849e+00 3.40 -1.088733976e+00 -1.088733976e+00 3.42 -1.076203903e+00 -1.076203903e+00 3.44 -1.063499558e+00 -1.063499558e+00 3.46 -1.050613410e+00 -1.050613410e+00 3.48 -1.037539892e+00 -1.037539892e+00 3.50 -1.024274907e+00 -1.024274907e+00 3.52 -1.010815435e+00 -1.010815435e+00 3.54 -9.971584389e-01 -9.971584389e-01 3.56 -9.833040610e-01 -9.833040610e-01 3.58 -9.692498019e-01 -9.692498019e-01 3.60 -9.549947511e-01 -9.549947511e-01 3.62 -9.405383397e-01 -9.405383397e-01 3.64 -9.258804126e-01 -9.258804126e-01 3.66 -9.110213529e-01 -9.110213529e-01 3.68 -8.959622534e-01 -8.959622534e-01 3.70 -8.807044061e-01 -8.807044061e-01 3.72 -8.652527322e-01 -8.652527322e-01 3.74 -8.496106528e-01 -8.496106528e-01 3.76 -8.337844587e-01 -8.337844587e-01 3.78 -8.177823536e-01 -8.177823536e-01 3.80 -8.016146897e-01 -8.016146897e-01 3.82 -7.852941969e-01 -7.852941969e-01 3.84 -7.688361533e-01 -7.688361533e-01 3.86 -7.522584852e-01 -7.522584852e-01 3.88 -7.355818511e-01 -7.355818511e-01 3.90 -7.188242033e-01 -7.188242033e-01 3.92 -7.020233868e-01 -7.020233868e-01 3.94 -6.852009883e-01 -6.852009883e-01 3.96 -6.683875344e-01 -6.683875344e-01 3.98 -6.516153272e-01 -6.516153272e-01 4.00 -6.349180260e-01 -6.349180260e-01 4.02 -6.183301618e-01 -6.183301618e-01 4.04 -6.018866041e-01 -6.018866041e-01 4.06 -5.856219789e-01 -5.856219789e-01 4.08 -5.695700847e-01 -5.695700847e-01 4.10 -5.537632999e-01 -5.537632999e-01 4.12 -5.382320171e-01 -5.382320171e-01 4.14 -5.230040970e-01 -5.230040970e-01 4.16 -5.081043996e-01 -5.081043996e-01 4.18 -4.935543670e-01 -4.935543670e-01 4.20 -4.793714233e-01 -4.793714233e-01 4.22 -4.655699373e-01 -4.655699373e-01 4.24 -4.521591132e-01 -4.521591132e-01 4.26 -4.391444030e-01 -4.391444030e-01 4.28 -4.265271423e-01 -4.265271423e-01 4.30 -4.143047160e-01 -4.143047160e-01 4.32 -4.024707819e-01 -4.024707819e-01 4.34 -3.910155783e-01 -3.910155783e-01 4.36 -3.799263005e-01 -3.799263005e-01 4.38 -3.691875131e-01 -3.691875131e-01 4.40 -3.587816066e-01 -3.587816066e-01 4.42 -3.486892610e-01 -3.486892610e-01 4.44 -3.388834719e-01 -3.388834719e-01 4.46 -3.293569476e-01 -3.293569476e-01 4.48 -3.200803209e-01 -3.200803209e-01 4.50 -3.110321037e-01 -3.110321037e-01 4.52 -3.021912876e-01 -3.021912876e-01 4.54 -2.935376920e-01 -2.935376920e-01 4.56 -2.850522463e-01 -2.850522463e-01 4.58 -2.767172434e-01 -2.767172434e-01 4.60 -2.685165267e-01 -2.685165267e-01 4.62 -2.604356313e-01 -2.604356313e-01 4.64 -2.524618973e-01 -2.524618973e-01 4.66 -2.445845082e-01 -2.445845082e-01 4.68 -2.367945245e-01 -2.367945245e-01 4.70 -2.290848584e-01 -2.290848584e-01 4.72 -2.214502268e-01 -2.214502268e-01 4.74 -2.138870878e-01 -2.138870878e-01 4.76 -2.063935409e-01 -2.063935409e-01 4.78 -1.989692245e-01 -1.989692245e-01 4.80 -1.916151897e-01 -1.916151897e-01 4.82 -1.843337772e-01 -1.843337772e-01 4.84 -1.771284764e-01 -1.771284764e-01 4.86 -1.700037872e-01 -1.700037872e-01 4.88 -1.629650784e-01 -1.629650784e-01 4.90 -1.560184466e-01 -1.560184466e-01 4.92 -1.491705775e-01 -1.491705775e-01 4.94 -1.424286076e-01 -1.424286076e-01 4.96 -1.357999942e-01 -1.357999942e-01 4.98 -1.292923858e-01 -1.292923858e-01 5.00 -1.229135015e-01 -1.229135015e-01 5.02 -1.166710147e-01 -1.166710147e-01 5.04 -1.105724447e-01 -1.105724447e-01 5.06 -1.046250557e-01 -1.046250557e-01 5.08 -9.883576266e-02 -9.883576266e-02 5.10 -9.321104742e-02 -9.321104742e-02 5.12 -8.775688225e-02 -8.775688225e-02 5.14 -8.247866297e-02 -8.247866297e-02 5.16 -7.738115149e-02 -7.738115149e-02 5.18 -7.246842818e-02 -7.246842818e-02 5.20 -6.774385421e-02 -6.774385421e-02 5.22 -6.321004265e-02 -6.321004265e-02 5.24 -5.886852518e-02 -5.886852518e-02 5.26 -5.472110645e-02 -5.472110645e-02 5.28 -5.076763673e-02 -5.076763673e-02 5.30 -4.700765859e-02 -4.700765859e-02 5.32 -4.343996407e-02 -4.343996407e-02 5.34 -4.006262137e-02 -4.006262137e-02 5.36 -3.687300799e-02 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-1.974529543e-03 -1.974529543e-03 5.90 -1.709809636e-03 -1.709809636e-03 5.92 -1.476997175e-03 -1.476997175e-03 5.94 -1.272787300e-03 -1.272787300e-03 5.96 -1.094139937e-03 -1.094139937e-03 5.98 -9.382692769e-04 -9.382692769e-04 6.00 -8.026321281e-04 -8.026321281e-04