No saved CIF is available for this run. The log and PXRD CSV remain available for inspection.
No Energy-R2 PNG is available for this run.
More than one attempt reached and Stop further generation.
ID 454-457: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.795, -5.333, 0.024, 0.164 [refine-failed] Refinement failed; continuing search without refined metrics. ID 455-462: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.787, -6.505, 0.021, 0.069 [refine-failed] ID 456-464: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.623, -4.762, 0.037, 0.269 ID 457-468: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.732, -6.423, 0.011, 0.077 ID 458-473: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.763, -6.499, 0.018, 0.097 Refinement failed; continuing search without refined metrics. ID 459-474: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.823, -6.950, 0.018, 0.085 [refine-failed] ID 460-483: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.744, -7.055, 0.014, 0.079 ID 461-484: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.744, -7.014, 0.024, 0.085 ID 462-486: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.652, -3.717, 0.040, 0.374 Refinement failed; continuing search without refined metrics. ID 463-487: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.912, -7.025, 0.024, 0.095 [refine-failed] ID 464-489: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.743, -7.020, 0.016, 0.072 Refinement failed; continuing search without refined metrics. ID 465-495: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.793, -7.099, 0.011, 0.068 [refine-failed] ID 466-496: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.685, -7.005, 0.019, 0.071 ID 467-504: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.744, -6.995, 0.022, 0.080 Refinement failed; continuing search without refined metrics. ID 468-505: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.850, -6.434, 0.023, 0.152 [refine-failed] ID 469-511: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.820, -6.963, 0.013, 0.091 91.654, 0.103, 20.111, -40.5, 50.0s ID 470-513: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.843, -3.869, 0.019, 0.231 84.638, 0.235, 17.150, -36.9, 43.7s ID 471-514: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.670, -6.506, 0.013, 0.084 ID 472-516: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.897, -6.961, 0.020, 0.080 62.393, 0.584, 9.320, -25.9, 4.5s Refinement failed; continuing search without refined metrics. ID 473-519: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.818, -7.006, 0.031, 0.092 [refine-failed] Refinement failed; continuing search without refined metrics. ID 474-522: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.835, -7.041, 0.016, 0.084 [refine-failed] ID 475-527: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.648, -6.537, 0.004, 0.112 ID 476-528: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.569, -6.427, 0.049, 0.080 ID 477-532: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.739, -7.054, 0.013, 0.081 ID 478-540: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.717, -6.557, 0.018, 0.088 [Pair 4/4] vol=1080.3 ų, spg=62, dims= 19.949 5.761 9.401: 2 WP choices. WP #1: spg=62, count=2, dof=20, n_wps=10, wyckoff=[['4c', '4c', '4c', '4c', '4c'], ['4c', '4c', '4c', '4c', '4c']] ID 479-1: * 40 23 62 Pnma 5.50 4c 4c 4c 4c 4c 4c 4c 4c 4c 4c , vol=1080.3 ų 0.731, -7.260, 0.008, 0.317 WP #2: spg=62, count=1, dof=16, n_wps=6, wyckoff=[['8d', '8d', '4c'], ['8d', '8d', '4c']] ID 480-24: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.694, -3.772, 0.009, 0.491 ID 481-28: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.727, -5.667, 0.004, 0.092 ID 482-33: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.773, -6.212, 0.004, 0.089 ID 483-34: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.571, -7.532, 0.021, 0.203 ID 484-48: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.684, -6.340, 0.007, 0.089 ID 485-53: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.704, -6.236, 0.015, 0.089 Refinement failed; continuing search without refined metrics. ID 486-79: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.879, -6.765, 0.019, 0.089 [refine-failed] Refinement failed; continuing search without refined metrics. ID 487-89: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.802, -6.736, 0.033, 0.080 [refine-failed] ID 488-97: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.576, -5.678, 0.007, 0.168 ID 489-109: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.683, -2.535, 0.023, 0.064 ID 490-120: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.770, -6.341, 0.011, 0.072 ID 491-134: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.693, -4.072, 0.006, 0.088 Refinement failed; continuing search without refined metrics. ID 492-138: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.781, -6.837, 0.011, 0.091 [refine-failed] ID 493-160: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.710, -6.363, 0.010, 0.083 ID 494-178: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.649, -6.300, 0.011, 0.085 ID 495-179: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.707, -6.807, 0.014, 0.069 Refinement failed; continuing search without refined metrics. ID 496-207: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.797, -6.812, 0.018, 0.077 [refine-failed] ID 497-237: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.731, -3.945, 0.022, 0.096 ID 498-255: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.690, -6.371, 0.026, 0.093 ID 499-259: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.699, -3.930, 0.003, 0.163 ID 500-263: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.684, -6.815, 0.013, 0.073 ID 501-273: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.771, -6.840, 0.011, 0.071 ID 502-277: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.619, -7.390, 0.031, 0.313 ID 503-289: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.734, -6.871, 0.010, 0.076 ID 504-300: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.535, -6.275, 0.050, 0.082 ID 505-314: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.459, -3.703, 0.047, 0.315 ID 506-318: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.626, -6.810, 0.029, 0.075 ID 507-321: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.779, -6.786, 0.027, 0.053 ID 508-340: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.619, -6.835, 0.008, 0.088 ID 509-343: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.620, -6.891, 0.039, 0.083 ID 510-352: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.667, -6.309, 0.016, 0.083 ID 511-358: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.728, -6.713, 0.023, 0.092 ID 512-363: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.724, -6.269, 0.005, 0.091 ID 513-369: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.644, -3.715, 0.009, 0.201 ID 514-376: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.681, -6.813, 0.016, 0.042 ID 515-396: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.737, -6.363, 0.023, 0.079 ID 516-399: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.700, -6.765, 0.014, 0.057 ID 517-422: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.660, -6.362, 0.024, 0.079 ID 518-424: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.666, -6.151, 0.019, 0.059 ID 519-440: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.690, -6.820, 0.017, 0.086 ID 520-453: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.751, -6.998, 0.001, 0.348 ID 521-468: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.510, -6.161, 0.010, 0.059 ID 522-474: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.632, -6.267, 0.037, 0.097 ID 523-483: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.640, -6.765, 0.023, 0.091 ID 524-487: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.756, -6.848, 0.021, 0.079 ID 525-505: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.540, -6.711, 0.083, 0.056 Refinement failed; continuing search without refined metrics. ID 526-516: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.851, -6.661, 0.023, 0.068 [refine-failed] ID 527-520: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.667, -3.859, 0.005, 0.134 ID 528-541: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.606, -6.920, 0.005, 0.076 ID 529-548: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.615, -6.249, 0.042, 0.095 ID 530-556: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.726, -6.425, 0.016, 0.084 ID 531-561: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.742, -6.843, 0.009, 0.075 ID 532-564: * 40 19 62 Pnma 5.50 8d 8d 4c 8d 8d 4c , vol=1080.3 ų 0.691, -6.314, 0.016, 0.093 More than one attempt reached and Stop further generation. Timing breakdown: 1) SPG + cell inference: 3m 09.7s 2) Structure inference: 6h 56m 01.5s Total: 6h 59m 11.2s