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 15:03:18 0.232863 0.395217 BFGS: 1 15:03:18 0.226278 0.384043 BFGS: 2 15:03:18 0.175510 0.297893 BFGS: 3 15:03:18 0.136131 0.231061 BFGS: 4 15:03:18 0.105586 0.179218 BFGS: 5 15:03:19 0.081895 0.139004 BFGS: 6 15:03:19 0.063519 0.107813 BFGS: 7 15:03:19 0.049267 0.083620 BFGS: 8 15:03:19 0.038212 0.064856 BFGS: 9 15:03:19 0.029638 0.050302 BFGS: 10 15:03:19 -0.000284 0.001994 BFGS: 11 15:03:19 -0.000128 0.091703 BFGS: 12 15:03:19 -0.000284 0.000495 BFGS: 13 15:03:19 -0.000284 0.000344 BFGS: 14 15:03:19 -0.000284 0.000548 BFGS: 15 15:03:19 -0.000284 0.001003 BFGS: 16 15:03:19 -0.000284 0.002076 BFGS: 17 15:03:19 -0.000284 0.002921 BFGS: 18 15:03:19 -0.000284 0.004183 BFGS: 19 15:03:19 -0.000285 0.002712 BFGS: 20 15:03:19 -0.000285 0.001175 BFGS: 21 15:03:19 -0.000285 0.002475 BFGS: 22 15:03:19 -0.000285 0.002473 BFGS: 23 15:03:19 -0.000285 0.000103 BFGS: 24 15:03:19 -0.000285 0.000000 BFGS: 25 15:03:19 -0.000285 0.000000 BFGS: 26 15:03:19 -0.000285 0.000000 BFGS: 27 15:03:19 -0.000285 0.000000 BFGS: 28 15:03:19 -0.000285 0.000000 BFGS: 29 15:03:19 -0.000285 0.000000 BFGS: 30 15:03:19 -0.000285 0.000000 BFGS: 31 15:03:19 -0.000285 0.000000 BFGS: 32 15:03:19 -0.000285 0.000000 BFGS: 33 15:03:19 -0.000285 0.000000 BFGS: 34 15:03:19 -0.000285 0.000000 BFGS: 35 15:03:19 -0.000285 0.000000 BFGS: 36 15:03:19 -0.000285 0.000000 BFGS: 37 15:03:19 -0.000285 0.000000 BFGS: 38 15:03:19 -0.000285 0.000000 BFGS: 39 15:03:19 -0.000285 0.000000 BFGS: 40 15:03:19 -0.000285 0.000000 BFGS: 41 15:03:19 -0.000285 0.000000 BFGS: 42 15:03:19 -0.000285 0.000000 BFGS: 43 15:03:19 -0.000285 0.000000 BFGS: 44 15:03:19 -0.000285 0.000000 BFGS: 45 15:03:19 -0.000285 0.000000 BFGS: 46 15:03:19 -0.000285 0.000000 BFGS: 47 15:03:19 -0.000285 0.000000 BFGS: 48 15:03:19 -0.000285 0.000000 BFGS: 49 15:03:19 -0.000285 0.000000 BFGS: 50 15:03:19 -0.000285 0.000000 BFGS: 51 15:03:19 -0.000285 0.000000 BFGS: 52 15:03:19 -0.000285 0.000000 BFGS: 53 15:03:19 -0.000285 0.000000 BFGS: 54 15:03:19 -0.000285 0.000000 BFGS: 55 15:03:19 -0.000285 0.000000 BFGS: 56 15:03:19 -0.000285 0.000000 BFGS: 57 15:03:19 -0.000285 0.000000 BFGS: 58 15:03:19 -0.000285 0.000000 BFGS: 59 15:03:19 -0.000285 0.000000 BFGS: 60 15:03:19 -0.000285 0.000000 BFGS: 61 15:03:19 -0.000285 0.000000 BFGS: 62 15:03:19 -0.000285 0.000000 BFGS: 63 15:03:19 -0.000285 0.000000 BFGS: 64 15:03:19 -0.000285 0.000000 BFGS: 65 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15:03:42 -0.000285 0.000000 BFGS: 2032 15:03:42 -0.000285 0.000000 BFGS: 2033 15:03:42 -0.000285 0.000000 BFGS: 2034 15:03:42 -0.000285 0.000000 BFGS: 2035 15:03:42 -0.000285 0.000000 BFGS: 2036 15:03:42 -0.000285 0.000000 BFGS: 2037 15:03:42 -0.000285 0.000000 BFGS: 2038 15:03:42 -0.000285 0.000000 BFGS: 2039 15:03:42 -0.000285 0.000000 BFGS: 2040 15:03:42 -0.000285 0.000000 BFGS: 2041 15:03:42 -0.000285 0.000000 BFGS: 2042 15:03:42 -0.000285 0.000000 BFGS: 2043 15:03:42 -0.000285 0.000000 BFGS: 2044 15:03:42 -0.000285 0.000000 BFGS: 2045 15:03:42 -0.000285 0.000000 BFGS: 2046 15:03:42 -0.000285 0.000000 BFGS: 2047 15:03:42 -0.000285 0.000000 BFGS: 2048 15:03:42 -0.000285 0.000000 BFGS: 2049 15:03:42 -0.000285 0.000000 BFGS: 2050 15:03:42 -0.000285 0.000000 BFGS: 2051 15:03:42 -0.000285 0.000000 BFGS: 2052 15:03:42 -0.000285 0.000000 BFGS: 2053 15:03:42 -0.000285 0.000000 BFGS: 2054 15:03:42 -0.000285 0.000000 BFGS: 2055 15:03:42 -0.000285 0.000000 BFGS: 2056 15:03:42 -0.000285 0.000000 BFGS: 2057 15:03:42 -0.000285 0.000000 BFGS: 2058 15:03:42 -0.000285 0.000000 BFGS: 2059 15:03:42 -0.000285 0.000000 BFGS: 2060 15:03:42 -0.000285 0.000000 BFGS: 2061 15:03:42 -0.000285 0.000000 BFGS: 2062 15:03:42 -0.000285 0.000000 BFGS: 2063 15:03:42 -0.000285 0.000000 BFGS: 2064 15:03:42 -0.000285 0.000000 BFGS: 2065 15:03:42 -0.000285 0.000000 BFGS: 2066 15:03:42 -0.000285 0.000000 BFGS: 2067 15:03:42 -0.000285 0.000000 BFGS: 2068 15:03:42 -0.000285 0.000000 BFGS: 2069 15:03:42 -0.000285 0.000000 BFGS: 2070 15:03:42 -0.000285 0.000000 BFGS: 2071 15:03:42 -0.000285 0.000000 BFGS: 2072 15:03:42 -0.000285 0.000000 BFGS: 2073 15:03:42 -0.000285 0.000000 BFGS: 2074 15:03:42 -0.000285 0.000000 BFGS: 2075 15:03:42 -0.000285 0.000000 BFGS: 2076 15:03:42 -0.000285 0.000000 BFGS: 2077 15:03:42 -0.000285 0.000000 BFGS: 2078 15:03:42 -0.000285 0.000000 BFGS: 2079 15:03:42 -0.000285 0.000000 BFGS: 2080 15:03:42 -0.000285 0.000000 BFGS: 2081 15:03:42 -0.000285 0.000000 BFGS: 2082 15:03:42 -0.000285 0.000000 BFGS: 2083 15:03:42 -0.000285 0.000000 BFGS: 2084 15:03:43 -0.000285 0.000000 BFGS: 2085 15:03:43 -0.000285 0.000000 BFGS: 2086 15:03:43 -0.000285 0.000000 BFGS: 2087 15:03:43 -0.000285 0.000000 BFGS: 2088 15:03:43 -0.000285 0.000000 BFGS: 2089 15:03:43 -0.000285 0.000000 BFGS: 2090 15:03:43 -0.000285 0.000000 BFGS: 2091 15:03:43 -0.000285 0.000000 BFGS: 2092 15:03:43 -0.000285 0.000000 BFGS: 2093 15:03:43 -0.000285 0.000000 BFGS: 2094 15:03:43 -0.000285 0.000000 BFGS: 2095 15:03:43 -0.000285 0.000000 BFGS: 2096 15:03:43 -0.000285 0.000000 BFGS: 2097 15:03:43 -0.000285 0.000000 BFGS: 2098 15:03:43 -0.000285 0.000000 BFGS: 2099 15:03:43 -0.000285 0.000000 BFGS: 2100 15:03:43 -0.000285 0.000000 BFGS: 2101 15:03:43 -0.000285 0.000000 BFGS: 2102 15:03:43 -0.000285 0.000000 BFGS: 2103 15:03:43 -0.000285 0.000000 BFGS: 2104 15:03:43 -0.000285 0.000000 BFGS: 2105 15:03:43 -0.000285 0.000000 BFGS: 2106 15:03:43 -0.000285 0.000000 BFGS: 2107 15:03:43 -0.000285 0.000000 BFGS: 2108 15:03:43 -0.000285 0.000000 BFGS: 2109 15:03:43 -0.000285 0.000000 BFGS: 2110 15:03:43 -0.000285 0.000000 BFGS: 2111 15:03:43 -0.000285 0.000000 BFGS: 2112 15:03:43 -0.000285 0.000000 BFGS: 2113 15:03:43 -0.000285 0.000000 BFGS: 2114 15:03:43 -0.000285 0.000000 BFGS: 2115 15:03:43 -0.000285 0.000000 BFGS: 2116 15:03:43 -0.000285 0.000000 BFGS: 2117 15:03:43 -0.000285 0.000000 BFGS: 2118 15:03:43 -0.000285 0.000000 BFGS: 2119 15:03:43 -0.000285 0.000000 BFGS: 2120 15:03:43 -0.000285 0.000000 BFGS: 2121 15:03:43 -0.000285 0.000000 BFGS: 2122 15:03:43 -0.000285 0.000000 BFGS: 2123 15:03:43 -0.000285 0.000000 BFGS: 2124 15:03:43 -0.000285 0.000000 BFGS: 2125 15:03:43 -0.000285 0.000000 BFGS: 2126 15:03:43 -0.000285 0.000000 BFGS: 2127 15:03:43 -0.000285 0.000000 BFGS: 2128 15:03:43 -0.000285 0.000000 BFGS: 2129 15:03:43 -0.000285 0.000000 BFGS: 2130 15:03:43 -0.000285 0.000000 BFGS: 2131 15:03:43 -0.000285 0.000000 BFGS: 2132 15:03:43 -0.000285 0.000000 BFGS: 2133 15:03:43 -0.000285 0.000000 BFGS: 2134 15:03:43 -0.000285 0.000000 BFGS: 2135 15:03:43 -0.000285 0.000000 BFGS: 2136 15:03:43 -0.000285 0.000000 BFGS: 2137 15:03:43 -0.000285 0.000000 BFGS: 2138 15:03:43 -0.000285 0.000000 BFGS: 2139 15:03:43 -0.000285 0.000000 BFGS: 2140 15:03:43 -0.000285 0.000000 BFGS: 2141 15:03:43 -0.000285 0.000000 BFGS: 2142 15:03:43 -0.000285 0.000000 BFGS: 2143 15:03:43 -0.000285 0.000000 BFGS: 2144 15:03:43 -0.000285 0.000000 BFGS: 2145 15:03:43 -0.000285 0.000000 BFGS: 2146 15:03:43 -0.000285 0.000000 BFGS: 2147 15:03:43 -0.000285 0.000000 BFGS: 2148 15:03:43 -0.000285 0.000000 BFGS: 2149 15:03:43 -0.000285 0.000000 BFGS: 2150 15:03:43 -0.000285 0.000000 BFGS: 2151 15:03:43 -0.000285 0.000000 BFGS: 2152 15:03:43 -0.000285 0.000000 BFGS: 2153 15:03:43 -0.000285 0.000000 BFGS: 2154 15:03:43 -0.000285 0.000000 BFGS: 2155 15:03:43 -0.000285 0.000000 BFGS: 2156 15:03:43 -0.000285 0.000000 BFGS: 2157 15:03:43 -0.000285 0.000000 BFGS: 2158 15:03:43 -0.000285 0.000000 BFGS: 2159 15:03:43 -0.000285 0.000000 BFGS: 2160 15:03:43 -0.000285 0.000000 BFGS: 2161 15:03:43 -0.000285 0.000000 BFGS: 2162 15:03:43 -0.000285 0.000000 BFGS: 2163 15:03:43 -0.000285 0.000000 BFGS: 2164 15:03:43 -0.000285 0.000000 BFGS: 2165 15:03:43 -0.000285 0.000000 BFGS: 2166 15:03:43 -0.000285 0.000000 BFGS: 2167 15:03:43 -0.000285 0.000000 BFGS: 2168 15:03:43 -0.000285 0.000000 BFGS: 2169 15:03:43 -0.000285 0.000000 BFGS: 2170 15:03:43 -0.000285 0.000000 BFGS: 2171 15:03:43 -0.000285 0.000000 BFGS: 2172 15:03:43 -0.000285 0.000000 BFGS: 2173 15:03:43 -0.000285 0.000000 BFGS: 2174 15:03:43 -0.000285 0.000000 BFGS: 2175 15:03:44 -0.000285 0.000000 BFGS: 2176 15:03:44 -0.000285 0.000000 BFGS: 2177 15:03:44 -0.000285 0.000000 BFGS: 2178 15:03:44 -0.000285 0.000000 BFGS: 2179 15:03:44 -0.000285 0.000000 BFGS: 2180 15:03:44 -0.000285 0.000000 BFGS: 2181 15:03:44 -0.000285 0.000000 BFGS: 2182 15:03:44 -0.000285 0.000000 BFGS: 2183 15:03:44 -0.000285 0.000000 BFGS: 2184 15:03:44 -0.000285 0.000000 BFGS: 2185 15:03:44 -0.000285 0.000000 BFGS: 2186 15:03:44 -0.000285 0.000000 BFGS: 2187 15:03:44 -0.000285 0.000000 BFGS: 2188 15:03:44 -0.000285 0.000000 BFGS: 2189 15:03:44 -0.000285 0.000000 BFGS: 2190 15:03:44 -0.000285 0.000000 BFGS: 2191 15:03:44 -0.000285 0.000000 BFGS: 2192 15:03:44 -0.000285 0.000000 BFGS: 2193 15:03:44 -0.000285 0.000000 BFGS: 2194 15:03:44 -0.000285 0.000000 BFGS: 2195 15:03:44 -0.000285 0.000000 BFGS: 2196 15:03:44 -0.000285 0.000000 BFGS: 2197 15:03:44 -0.000285 0.000000 BFGS: 2198 15:03:44 -0.000285 0.000000 BFGS: 2199 15:03:44 -0.000285 0.000000 BFGS: 2200 15:03:44 -0.000285 0.000000 BFGS: 2201 15:03:44 -0.000285 0.000000 BFGS: 2202 15:03:44 -0.000285 0.000000 BFGS: 2203 15:03:44 -0.000285 0.000000 BFGS: 2204 15:03:44 -0.000285 0.000000 BFGS: 2205 15:03:44 -0.000285 0.000000 BFGS: 2206 15:03:44 -0.000285 0.000000 BFGS: 2207 15:03:44 -0.000285 0.000000 BFGS: 2208 15:03:44 -0.000285 0.000000 BFGS: 2209 15:03:44 -0.000285 0.000000 BFGS: 2210 15:03:44 -0.000285 0.000000 BFGS: 2211 15:03:44 -0.000285 0.000000 BFGS: 2212 15:03:44 -0.000285 0.000000 BFGS: 2213 15:03:44 -0.000285 0.000000 BFGS: 2214 15:03:44 -0.000285 0.000000 BFGS: 2215 15:03:44 -0.000285 0.000000 BFGS: 2216 15:03:44 -0.000285 0.000000 BFGS: 2217 15:03:44 -0.000285 0.000000 BFGS: 2218 15:03:44 -0.000285 0.000000 BFGS: 2219 15:03:44 -0.000285 0.000000 BFGS: 2220 15:03:44 -0.000285 0.000000 BFGS: 2221 15:03:44 -0.000285 0.000000 BFGS: 2222 15:03:44 -0.000285 0.000000 BFGS: 2223 15:03:44 -0.000285 0.000000 BFGS: 2224 15:03:44 -0.000285 0.000000 BFGS: 2225 15:03:44 -0.000285 0.000000 BFGS: 2226 15:03:44 -0.000285 0.000000 BFGS: 2227 15:03:44 -0.000285 0.000000 BFGS: 2228 15:03:44 -0.000285 0.000000 BFGS: 2229 15:03:44 -0.000285 0.000000 BFGS: 2230 15:03:44 -0.000285 0.000000 BFGS: 2231 15:03:44 -0.000285 0.000000 BFGS: 2232 15:03:44 -0.000285 0.000000 BFGS: 2233 15:03:44 -0.000285 0.000000 BFGS: 2234 15:03:44 -0.000285 0.000000 BFGS: 2235 15:03:44 -0.000285 0.000000 BFGS: 2236 15:03:44 -0.000285 0.000000 BFGS: 2237 15:03:44 -0.000285 0.000000 BFGS: 2238 15:03:44 -0.000285 0.000000 BFGS: 2239 15:03:44 -0.000285 0.000000 BFGS: 2240 15:03:44 -0.000285 0.000000 BFGS: 2241 15:03:44 -0.000285 0.000000 BFGS: 2242 15:03:44 -0.000285 0.000000 BFGS: 2243 15:03:44 -0.000285 0.000000 BFGS: 2244 15:03:44 -0.000285 0.000000 BFGS: 2245 15:03:44 -0.000285 0.000000 BFGS: 2246 15:03:44 -0.000285 0.000000 BFGS: 2247 15:03:44 -0.000285 0.000000 Minimization converged after 2247 steps. Maximum force component: 8.628166036400571e-31 eV/Angstrom Maximum stress component: 1.6327383994339405e-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([[4.999999933674061, -2.0031012003565695e-16, 2.844754082551862e-37], [-2.4999999668370303, 4.330126961481693, -8.331806665752573e-37], [4.200344285097744e-37, 8.476313306441355e-36, 8.148054490765992]]) forces = [[-8.62816604e-31 4.98147398e-31 -1.28577631e-67] [ 5.34124564e-31 -4.98147398e-31 1.09876670e-67]] stress = [ 1.63273840e-11 1.63273840e-11 -7.85557979e-13 3.63910571e-36 -1.43073424e-48 -3.70651317e-27] energy per atom = -0.00014259904347544013 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0