element(s): ['C'] AFLOW prototype label: A_hR60_166_2h4i Parameter names: ['a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2078749', '2.8560549', '0.75219325', '0.42948739', '0.74201569', '0.31003192', '0.08367029', '0.52879813', '0.35559978', '0.058799983', '0.54887103', '0.21275644', '0.63749731', '0.89485464', '0.20182745', '0.88256648', '0.72459266', '0.035124446'] model name: EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0.10756862 0.89243138 0.14462463] [0.14399459 0.85600541 0.0980211 ] [0.69957705 0.1272246 0.15602273] [0.60594729 0.05793812 0.10680915] [0.62376765 0.68320516 0.0780598 ] [0.48769658 0.8228352 0.04742786]] spacegroup = 166 cell = [[9.2079, 0, 0], [-4.60395, 7.9742753155067, 0], [0, 0, 26.2982]] ========================================= Minimization stalled after 0 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.10756862 0.89243138 0.14462463] [0.10756862 0.21513724 0.14462463] [0.78486276 0.89243138 0.14462463] [0.89243138 0.10756862 0.85537537] [0.21513724 0.10756862 0.85537537] [0.89243138 0.78486276 0.85537537] [0.77423529 0.22576471 0.47795796] [0.77423529 0.54847057 0.47795796] [0.45152943 0.22576471 0.47795796] [0.55909805 0.44090195 0.1887087 ] [0.88180391 0.44090195 0.1887087 ] [0.55909805 0.11819609 0.1887087 ] [0.44090195 0.55909805 0.8112913 ] [0.44090195 0.88180391 0.8112913 ] [0.11819609 0.55909805 0.8112913 ] [0.22576471 0.77423529 0.52204204] [0.54847057 0.77423529 0.52204204] [0.22576471 0.45152943 0.52204204] [0.14399459 0.85600541 0.0980211 ] [0.14399459 0.28798918 0.0980211 ] [0.71201082 0.85600541 0.0980211 ] [0.85600541 0.14399459 0.9019789 ] [0.28798918 0.14399459 0.9019789 ] [0.85600541 0.71201082 0.9019789 ] [0.81066126 0.18933874 0.43135443] [0.81066126 0.62132251 0.43135443] [0.37867749 0.18933874 0.43135443] [0.52267208 0.47732792 0.23531223] [0.95465585 0.47732792 0.23531223] [0.52267208 0.04534415 0.23531223] [0.47732792 0.52267208 0.76468777] [0.47732792 0.95465585 0.76468777] [0.04534415 0.52267208 0.76468777] [0.18933874 0.81066126 0.56864557] [0.62132251 0.81066126 0.56864557] [0.18933874 0.37867749 0.56864557] [0.69957705 0.1272246 0.15602273] [0.8727754 0.57235245 0.15602273] [0.42764755 0.30042295 0.15602273] [0.1272246 0.69957705 0.84397727] [0.57235245 0.8727754 0.84397727] [0.30042295 0.42764755 0.84397727] [0.36624372 0.46055793 0.48935606] [0.53944207 0.90568578 0.48935606] [0.09431422 0.63375628 0.48935606] [0.79389127 0.03291038 0.1773106 ] [0.23901912 0.20610873 0.1773106 ] [0.96708962 0.76098088 0.1773106 ] [0.03291038 0.79389127 0.8226894 ] [0.20610873 0.23901912 0.8226894 ] [0.76098088 0.96708962 0.8226894 ] [0.46055793 0.36624372 0.51064394] [0.90568578 0.53944207 0.51064394] [0.63375628 0.09431422 0.51064394] [0.30042295 0.8727754 0.84397727] [0.1272246 0.42764755 0.84397727] [0.57235245 0.69957705 0.84397727] [0.8727754 0.30042295 0.15602273] [0.42764755 0.1272246 0.15602273] [0.69957705 0.57235245 0.15602273] [0.96708962 0.20610873 0.1773106 ] [0.79389127 0.76098088 0.1773106 ] [0.23901912 0.03291038 0.1773106 ] [0.53944207 0.63375628 0.48935606] [0.09431422 0.46055793 0.48935606] [0.36624372 0.90568578 0.48935606] [0.63375628 0.53944207 0.51064394] [0.46055793 0.09431422 0.51064394] [0.90568578 0.36624372 0.51064394] [0.20610873 0.96708962 0.8226894 ] [0.76098088 0.79389127 0.8226894 ] [0.03291038 0.23901912 0.8226894 ] [0.60594729 0.05793812 0.10680915] [0.94206188 0.54800917 0.10680915] [0.45199083 0.39405271 0.10680915] [0.05793812 0.60594729 0.89319085] [0.54800917 0.94206188 0.89319085] [0.39405271 0.45199083 0.89319085] [0.27261396 0.39127145 0.44014248] [0.60872855 0.8813425 0.44014248] [0.1186575 0.72738604 0.44014248] [0.72460479 0.93928062 0.22652418] [0.21467584 0.27539521 0.22652418] [0.06071938 0.78532416 0.22652418] [0.93928062 0.72460479 0.77347582] [0.27539521 0.21467584 0.77347582] [0.78532416 0.06071938 0.77347582] [0.39127145 0.27261396 0.55985752] [0.8813425 0.60872855 0.55985752] [0.72738604 0.1186575 0.55985752] [0.39405271 0.94206188 0.89319085] [0.05793812 0.45199083 0.89319085] [0.54800917 0.60594729 0.89319085] [0.94206188 0.39405271 0.10680915] [0.45199083 0.05793812 0.10680915] [0.60594729 0.54800917 0.10680915] [0.06071938 0.27539521 0.22652418] [0.72460479 0.78532416 0.22652418] [0.21467584 0.93928062 0.22652418] [0.60872855 0.72738604 0.44014248] [0.1186575 0.39127145 0.44014248] [0.27261396 0.8813425 0.44014248] [0.72738604 0.60872855 0.55985752] [0.39127145 0.1186575 0.55985752] [0.8813425 0.27261396 0.55985752] [0.27539521 0.06071938 0.77347582] [0.78532416 0.72460479 0.77347582] [0.93928062 0.21467584 0.77347582] [0.62376765 0.68320516 0.0780598 ] [0.31679484 0.94056249 0.0780598 ] [0.05943751 0.37623235 0.0780598 ] [0.68320516 0.62376765 0.9219402 ] [0.94056249 0.31679484 0.9219402 ] [0.37623235 0.05943751 0.9219402 ] [0.29043432 0.01653849 0.41139313] [0.98346151 0.27389582 0.41139313] [0.72610418 0.70956568 0.41139313] [0.34987183 0.95710098 0.25527353] [0.60722916 0.65012817 0.25527353] [0.04289902 0.39277084 0.25527353] [0.95710098 0.34987183 0.74472647] [0.65012817 0.60722916 0.74472647] [0.39277084 0.04289902 0.74472647] [0.01653849 0.29043432 0.58860687] [0.27389582 0.98346151 0.58860687] [0.70956568 0.72610418 0.58860687] [0.37623235 0.31679484 0.9219402 ] [0.68320516 0.05943751 0.9219402 ] [0.94056249 0.62376765 0.9219402 ] [0.31679484 0.37623235 0.0780598 ] [0.05943751 0.68320516 0.0780598 ] [0.62376765 0.94056249 0.0780598 ] [0.04289902 0.65012817 0.25527353] [0.34987183 0.39277084 0.25527353] [0.60722916 0.95710098 0.25527353] [0.98346151 0.70956568 0.41139313] [0.72610418 0.01653849 0.41139313] [0.29043432 0.27389582 0.41139313] [0.70956568 0.98346151 0.58860687] [0.01653849 0.72610418 0.58860687] [0.27389582 0.29043432 0.58860687] [0.65012817 0.04289902 0.74472647] [0.39277084 0.34987183 0.74472647] [0.95710098 0.60722916 0.74472647] [0.48769658 0.8228352 0.04742786] [0.1771648 0.66486138 0.04742786] [0.33513862 0.51230342 0.04742786] [0.8228352 0.48769658 0.95257214] [0.66486138 0.1771648 0.95257214] [0.51230342 0.33513862 0.95257214] [0.15436325 0.15616853 0.3807612 ] [0.84383147 0.99819471 0.3807612 ] [0.00180529 0.84563675 0.3807612 ] [0.48950187 0.82102991 0.28590547] [0.33152805 0.51049813 0.28590547] [0.17897009 0.66847195 0.28590547] [0.82102991 0.48950187 0.71409453] [0.51049813 0.33152805 0.71409453] [0.66847195 0.17897009 0.71409453] [0.15616853 0.15436325 0.6192388 ] [0.99819471 0.84383147 0.6192388 ] [0.84563675 0.00180529 0.6192388 ] [0.51230342 0.1771648 0.95257214] [0.8228352 0.33513862 0.95257214] [0.66486138 0.48769658 0.95257214] [0.1771648 0.51230342 0.04742786] [0.33513862 0.8228352 0.04742786] [0.48769658 0.66486138 0.04742786] [0.17897009 0.51049813 0.28590547] [0.48950187 0.66847195 0.28590547] [0.33152805 0.82102991 0.28590547] [0.84383147 0.84563675 0.3807612 ] [0.00180529 0.15616853 0.3807612 ] [0.15436325 0.99819471 0.3807612 ] [0.84563675 0.84383147 0.6192388 ] [0.15616853 0.00180529 0.6192388 ] [0.99819471 0.15436325 0.6192388 ] [0.51049813 0.17897009 0.71409453] [0.66847195 0.48950187 0.71409453] [0.82102991 0.33152805 0.71409453]] cellpar = Cell([[9.207899999999988, 0.0, 0.0], [-4.603949999999994, 7.974275315506722, 0.0], [0.0, 0.0, 26.2982]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0