element(s): ['N'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.0707', '1.631341'] model name: MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[4.0707, 0, 0], [-2.03535, 3.5253296111853, 0], [0, 0, 6.6407]] ========================================= Step Time Energy fmax BFGS: 0 21:16:24 0.232863 0.395217 BFGS: 1 21:16:24 0.226278 0.384043 BFGS: 2 21:16:24 0.175510 0.297893 BFGS: 3 21:16:24 0.136131 0.231061 BFGS: 4 21:16:24 0.105586 0.179218 BFGS: 5 21:16:24 0.081895 0.139004 BFGS: 6 21:16:24 0.063519 0.107813 BFGS: 7 21:16:24 0.049267 0.083620 BFGS: 8 21:16:24 0.038212 0.064856 BFGS: 9 21:16:24 0.029638 0.050302 BFGS: 10 21:16:24 -0.000284 0.001994 BFGS: 11 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21:16:51 -0.000285 0.000000 BFGS: 2032 21:16:51 -0.000285 0.000000 BFGS: 2033 21:16:51 -0.000285 0.000000 BFGS: 2034 21:16:51 -0.000285 0.000000 BFGS: 2035 21:16:51 -0.000285 0.000000 BFGS: 2036 21:16:51 -0.000285 0.000000 BFGS: 2037 21:16:51 -0.000285 0.000000 BFGS: 2038 21:16:51 -0.000285 0.000000 BFGS: 2039 21:16:51 -0.000285 0.000000 BFGS: 2040 21:16:51 -0.000285 0.000000 BFGS: 2041 21:16:51 -0.000285 0.000000 BFGS: 2042 21:16:51 -0.000285 0.000000 BFGS: 2043 21:16:51 -0.000285 0.000000 BFGS: 2044 21:16:51 -0.000285 0.000000 BFGS: 2045 21:16:51 -0.000285 0.000000 BFGS: 2046 21:16:51 -0.000285 0.000000 BFGS: 2047 21:16:51 -0.000285 0.000000 BFGS: 2048 21:16:51 -0.000285 0.000000 BFGS: 2049 21:16:52 -0.000285 0.000000 BFGS: 2050 21:16:52 -0.000285 0.000000 BFGS: 2051 21:16:52 -0.000285 0.000000 BFGS: 2052 21:16:52 -0.000285 0.000000 BFGS: 2053 21:16:52 -0.000285 0.000000 BFGS: 2054 21:16:52 -0.000285 0.000000 BFGS: 2055 21:16:52 -0.000285 0.000000 BFGS: 2056 21:16:52 -0.000285 0.000000 BFGS: 2057 21:16:52 -0.000285 0.000000 BFGS: 2058 21:16:52 -0.000285 0.000000 BFGS: 2059 21:16:52 -0.000285 0.000000 BFGS: 2060 21:16:52 -0.000285 0.000000 BFGS: 2061 21:16:52 -0.000285 0.000000 BFGS: 2062 21:16:52 -0.000285 0.000000 BFGS: 2063 21:16:52 -0.000285 0.000000 BFGS: 2064 21:16:52 -0.000285 0.000000 BFGS: 2065 21:16:52 -0.000285 0.000000 BFGS: 2066 21:16:52 -0.000285 0.000000 BFGS: 2067 21:16:52 -0.000285 0.000000 BFGS: 2068 21:16:52 -0.000285 0.000000 BFGS: 2069 21:16:52 -0.000285 0.000000 BFGS: 2070 21:16:52 -0.000285 0.000000 BFGS: 2071 21:16:52 -0.000285 0.000000 BFGS: 2072 21:16:52 -0.000285 0.000000 BFGS: 2073 21:16:52 -0.000285 0.000000 BFGS: 2074 21:16:52 -0.000285 0.000000 BFGS: 2075 21:16:52 -0.000285 0.000000 BFGS: 2076 21:16:52 -0.000285 0.000000 BFGS: 2077 21:16:52 -0.000285 0.000000 BFGS: 2078 21:16:52 -0.000285 0.000000 BFGS: 2079 21:16:52 -0.000285 0.000000 BFGS: 2080 21:16:52 -0.000285 0.000000 BFGS: 2081 21:16:52 -0.000285 0.000000 BFGS: 2082 21:16:52 -0.000285 0.000000 BFGS: 2083 21:16:52 -0.000285 0.000000 BFGS: 2084 21:16:52 -0.000285 0.000000 BFGS: 2085 21:16:52 -0.000285 0.000000 BFGS: 2086 21:16:52 -0.000285 0.000000 BFGS: 2087 21:16:52 -0.000285 0.000000 BFGS: 2088 21:16:52 -0.000285 0.000000 BFGS: 2089 21:16:52 -0.000285 0.000000 BFGS: 2090 21:16:52 -0.000285 0.000000 BFGS: 2091 21:16:52 -0.000285 0.000000 BFGS: 2092 21:16:52 -0.000285 0.000000 BFGS: 2093 21:16:52 -0.000285 0.000000 BFGS: 2094 21:16:52 -0.000285 0.000000 BFGS: 2095 21:16:52 -0.000285 0.000000 BFGS: 2096 21:16:52 -0.000285 0.000000 BFGS: 2097 21:16:52 -0.000285 0.000000 BFGS: 2098 21:16:52 -0.000285 0.000000 BFGS: 2099 21:16:52 -0.000285 0.000000 BFGS: 2100 21:16:52 -0.000285 0.000000 BFGS: 2101 21:16:52 -0.000285 0.000000 BFGS: 2102 21:16:52 -0.000285 0.000000 BFGS: 2103 21:16:52 -0.000285 0.000000 BFGS: 2104 21:16:52 -0.000285 0.000000 BFGS: 2105 21:16:52 -0.000285 0.000000 BFGS: 2106 21:16:52 -0.000285 0.000000 BFGS: 2107 21:16:52 -0.000285 0.000000 BFGS: 2108 21:16:52 -0.000285 0.000000 BFGS: 2109 21:16:52 -0.000285 0.000000 BFGS: 2110 21:16:52 -0.000285 0.000000 BFGS: 2111 21:16:52 -0.000285 0.000000 BFGS: 2112 21:16:52 -0.000285 0.000000 BFGS: 2113 21:16:52 -0.000285 0.000000 BFGS: 2114 21:16:52 -0.000285 0.000000 BFGS: 2115 21:16:52 -0.000285 0.000000 BFGS: 2116 21:16:52 -0.000285 0.000000 BFGS: 2117 21:16:52 -0.000285 0.000000 BFGS: 2118 21:16:52 -0.000285 0.000000 BFGS: 2119 21:16:52 -0.000285 0.000000 BFGS: 2120 21:16:52 -0.000285 0.000000 BFGS: 2121 21:16:52 -0.000285 0.000000 BFGS: 2122 21:16:52 -0.000285 0.000000 BFGS: 2123 21:16:53 -0.000285 0.000000 BFGS: 2124 21:16:53 -0.000285 0.000000 BFGS: 2125 21:16:53 -0.000285 0.000000 BFGS: 2126 21:16:53 -0.000285 0.000000 BFGS: 2127 21:16:53 -0.000285 0.000000 BFGS: 2128 21:16:53 -0.000285 0.000000 BFGS: 2129 21:16:53 -0.000285 0.000000 BFGS: 2130 21:16:53 -0.000285 0.000000 BFGS: 2131 21:16:53 -0.000285 0.000000 BFGS: 2132 21:16:53 -0.000285 0.000000 BFGS: 2133 21:16:53 -0.000285 0.000000 BFGS: 2134 21:16:53 -0.000285 0.000000 BFGS: 2135 21:16:53 -0.000285 0.000000 BFGS: 2136 21:16:53 -0.000285 0.000000 BFGS: 2137 21:16:53 -0.000285 0.000000 BFGS: 2138 21:16:53 -0.000285 0.000000 BFGS: 2139 21:16:53 -0.000285 0.000000 BFGS: 2140 21:16:53 -0.000285 0.000000 BFGS: 2141 21:16:53 -0.000285 0.000000 BFGS: 2142 21:16:53 -0.000285 0.000000 BFGS: 2143 21:16:53 -0.000285 0.000000 BFGS: 2144 21:16:53 -0.000285 0.000000 BFGS: 2145 21:16:53 -0.000285 0.000000 BFGS: 2146 21:16:53 -0.000285 0.000000 BFGS: 2147 21:16:53 -0.000285 0.000000 BFGS: 2148 21:16:53 -0.000285 0.000000 BFGS: 2149 21:16:53 -0.000285 0.000000 BFGS: 2150 21:16:53 -0.000285 0.000000 BFGS: 2151 21:16:53 -0.000285 0.000000 BFGS: 2152 21:16:53 -0.000285 0.000000 BFGS: 2153 21:16:53 -0.000285 0.000000 BFGS: 2154 21:16:53 -0.000285 0.000000 BFGS: 2155 21:16:53 -0.000285 0.000000 BFGS: 2156 21:16:53 -0.000285 0.000000 BFGS: 2157 21:16:53 -0.000285 0.000000 BFGS: 2158 21:16:53 -0.000285 0.000000 BFGS: 2159 21:16:53 -0.000285 0.000000 BFGS: 2160 21:16:53 -0.000285 0.000000 BFGS: 2161 21:16:53 -0.000285 0.000000 BFGS: 2162 21:16:53 -0.000285 0.000000 BFGS: 2163 21:16:53 -0.000285 0.000000 BFGS: 2164 21:16:53 -0.000285 0.000000 BFGS: 2165 21:16:53 -0.000285 0.000000 BFGS: 2166 21:16:53 -0.000285 0.000000 BFGS: 2167 21:16:53 -0.000285 0.000000 BFGS: 2168 21:16:53 -0.000285 0.000000 BFGS: 2169 21:16:53 -0.000285 0.000000 BFGS: 2170 21:16:53 -0.000285 0.000000 BFGS: 2171 21:16:53 -0.000285 0.000000 BFGS: 2172 21:16:53 -0.000285 0.000000 BFGS: 2173 21:16:53 -0.000285 0.000000 BFGS: 2174 21:16:53 -0.000285 0.000000 BFGS: 2175 21:16:53 -0.000285 0.000000 BFGS: 2176 21:16:53 -0.000285 0.000000 BFGS: 2177 21:16:53 -0.000285 0.000000 BFGS: 2178 21:16:53 -0.000285 0.000000 BFGS: 2179 21:16:53 -0.000285 0.000000 BFGS: 2180 21:16:53 -0.000285 0.000000 BFGS: 2181 21:16:53 -0.000285 0.000000 BFGS: 2182 21:16:53 -0.000285 0.000000 BFGS: 2183 21:16:53 -0.000285 0.000000 BFGS: 2184 21:16:53 -0.000285 0.000000 BFGS: 2185 21:16:53 -0.000285 0.000000 BFGS: 2186 21:16:53 -0.000285 0.000000 BFGS: 2187 21:16:53 -0.000285 0.000000 BFGS: 2188 21:16:53 -0.000285 0.000000 BFGS: 2189 21:16:53 -0.000285 0.000000 BFGS: 2190 21:16:53 -0.000285 0.000000 BFGS: 2191 21:16:53 -0.000285 0.000000 BFGS: 2192 21:16:53 -0.000285 0.000000 BFGS: 2193 21:16:53 -0.000285 0.000000 BFGS: 2194 21:16:53 -0.000285 0.000000 BFGS: 2195 21:16:53 -0.000285 0.000000 BFGS: 2196 21:16:53 -0.000285 0.000000 BFGS: 2197 21:16:53 -0.000285 0.000000 BFGS: 2198 21:16:54 -0.000285 0.000000 BFGS: 2199 21:16:54 -0.000285 0.000000 BFGS: 2200 21:16:54 -0.000285 0.000000 BFGS: 2201 21:16:54 -0.000285 0.000000 BFGS: 2202 21:16:54 -0.000285 0.000000 BFGS: 2203 21:16:54 -0.000285 0.000000 BFGS: 2204 21:16:54 -0.000285 0.000000 BFGS: 2205 21:16:54 -0.000285 0.000000 BFGS: 2206 21:16:54 -0.000285 0.000000 BFGS: 2207 21:16:54 -0.000285 0.000000 BFGS: 2208 21:16:54 -0.000285 0.000000 BFGS: 2209 21:16:54 -0.000285 0.000000 BFGS: 2210 21:16:54 -0.000285 0.000000 BFGS: 2211 21:16:54 -0.000285 0.000000 BFGS: 2212 21:16:54 -0.000285 0.000000 BFGS: 2213 21:16:54 -0.000285 0.000000 BFGS: 2214 21:16:54 -0.000285 0.000000 BFGS: 2215 21:16:54 -0.000285 0.000000 BFGS: 2216 21:16:54 -0.000285 0.000000 BFGS: 2217 21:16:54 -0.000285 0.000000 BFGS: 2218 21:16:54 -0.000285 0.000000 BFGS: 2219 21:16:54 -0.000285 0.000000 BFGS: 2220 21:16:54 -0.000285 0.000000 BFGS: 2221 21:16:54 -0.000285 0.000000 BFGS: 2222 21:16:54 -0.000285 0.000000 BFGS: 2223 21:16:54 -0.000285 0.000000 BFGS: 2224 21:16:54 -0.000285 0.000000 BFGS: 2225 21:16:54 -0.000285 0.000000 BFGS: 2226 21:16:54 -0.000285 0.000000 BFGS: 2227 21:16:54 -0.000285 0.000000 BFGS: 2228 21:16:54 -0.000285 0.000000 BFGS: 2229 21:16:54 -0.000285 0.000000 BFGS: 2230 21:16:54 -0.000285 0.000000 BFGS: 2231 21:16:54 -0.000285 0.000000 BFGS: 2232 21:16:54 -0.000285 0.000000 BFGS: 2233 21:16:54 -0.000285 0.000000 BFGS: 2234 21:16:54 -0.000285 0.000000 BFGS: 2235 21:16:54 -0.000285 0.000000 BFGS: 2236 21:16:54 -0.000285 0.000000 BFGS: 2237 21:16:54 -0.000285 0.000000 BFGS: 2238 21:16:54 -0.000285 0.000000 BFGS: 2239 21:16:54 -0.000285 0.000000 BFGS: 2240 21:16:54 -0.000285 0.000000 BFGS: 2241 21:16:54 -0.000285 0.000000 BFGS: 2242 21:16:54 -0.000285 0.000000 BFGS: 2243 21:16:54 -0.000285 0.000000 BFGS: 2244 21:16:54 -0.000285 0.000000 BFGS: 2245 21:16:54 -0.000285 0.000000 BFGS: 2246 21:16:54 -0.000285 0.000000 BFGS: 2247 21:16:54 -0.000285 0.000000 Minimization converged after 2247 steps. Maximum force component: 2.465190296114147e-31 eV/Angstrom Maximum stress component: 1.6327313935881166e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[4.999999933673448, -2.0066903065900401e-16, -1.0628181367179554e-36], [-2.499999966836724, 4.330126961482247, -1.7110201438190538e-36], [1.9085041613530042e-36, 6.4420823912511795e-37, 8.148054490765977]]) forces = [[ 2.46519030e-31 -1.42327828e-31 2.13058843e-68] [-2.46519030e-31 1.42327828e-31 -2.13058843e-68]] stress = [ 1.63273139e-11 1.63273139e-11 -7.86128793e-13 1.58301098e-34 7.24858339e-35 3.64290420e-27] energy per atom = -0.00014259904347544043 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0