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AsF6I2_12
Solved Structure
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Energy-R2 Fit
Open PNGRun Summary
FormulaAsF6I2
Crystal Systemmonoclinic
Input SG12
Solved SG12
R20.5577
Chi29.2663
Rwp/Wr63.3738
Statusbest_result
Valid Structures743
Candidates14
Total Time6h 43m 29.8s
Search Details
Phase 1 SGs3
Phase 2 Pairs2
Refined Structures165
Refine Failures24
Reached maximum structure limit and Stop further generation.
Log Preview
ID 652-62: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.539, -2.968, 0.016, 0.077 ID 653-65: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.471, -3.204, 0.013, 0.077 ID 654-66: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.430, -3.245, 0.019, 0.080 ID 655-68: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.495, -2.892, 0.027, 0.064 ID 656-69: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.553, -3.323, 0.017, 0.082 ID 657-74: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.508, -2.952, 0.019, 0.077 ID 658-80: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.460, -3.003, 0.026, 0.082 ID 659-87: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.522, -3.163, 0.019, 0.073 ID 660-91: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.514, -3.302, 0.020, 0.091 ID 661-92: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.596, -3.028, 0.020, 0.081 ID 662-96: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.521, -3.235, 0.006, 0.084 ID 663-98: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.534, -3.259, 0.015, 0.075 ID 664-101: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.474, -2.897, 0.029, 0.077 ID 665-103: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.537, -3.267, 0.028, 0.082 ID 666-106: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.552, -3.323, 0.017, 0.070 ID 667-107: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.564, -2.883, 0.031, 0.081 ID 668-115: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.473, -3.320, 0.012, 0.078 ID 669-116: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.548, -3.203, 0.040, 0.098 ID 670-118: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.454, -2.867, 0.019, 0.090 ID 671-121: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.442, -2.907, 0.027, 0.069 ID 672-125: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.426, -3.244, 0.024, 0.082 ID 673-127: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.541, -3.252, 0.013, 0.087 ID 674-131: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.428, -3.245, 0.020, 0.081 ID 675-133: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.520, -3.315, 0.014, 0.492 ID 676-134: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.544, -2.816, 0.020, 0.094 ID 677-137: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.499, -3.005, 0.010, 0.083 ID 678-142: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.454, -2.881, 0.025, 0.075 ID 679-146: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.514, -3.045, 0.011, 0.046 ID 680-151: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.517, -3.177, 0.021, 0.081 ID 681-155: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.541, -2.819, 0.033, 0.092 ID 682-165: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.510, -2.827, 0.019, 0.088 ID 683-168: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.442, -2.907, 0.028, 0.159 ID 684-169: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.399, -2.849, 0.035, 0.055 ID 685-176: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.460, -3.241, 0.015, 0.154 ID 686-185: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.475, -2.565, 0.025, 0.086 ID 687-186: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.502, -2.947, 0.033, 0.172 ID 688-188: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.530, -2.883, 0.016, 0.095 ID 689-191: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.459, -3.136, 0.007, 0.091 ID 690-192: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.520, -3.044, 0.010, 0.093 ID 691-193: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.483, -3.073, 0.013, 0.109 ID 692-195: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.525, -3.287, 0.008, 0.080 ID 693-200: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.458, -2.835, 0.024, 0.088 ID 694-203: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.523, -2.817, 0.048, 0.255 ID 695-206: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.555, -3.089, 0.019, 0.078 ID 696-212: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.537, -3.255, 0.020, 0.093 ID 697-213: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.479, -2.835, 0.015, 0.096 ID 698-215: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.582, -2.963, 0.024, 0.086 ID 699-216: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.549, -3.267, 0.013, 0.090 ID 700-218: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.459, -2.934, 0.023, 0.078 ID 701-222: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.518, -3.000, 0.016, 0.095 ID 702-223: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.465, -3.147, 0.017, 0.087 ID 703-225: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.469, -2.948, 0.025, 0.299 ID 704-227: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.514, -2.823, 0.020, 0.439 ID 705-228: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.488, -3.175, 0.008, 0.049 ID 706-233: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.496, -2.859, 0.023, 0.087 ID 707-241: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.552, -3.323, 0.017, 0.073 ID 708-242: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.455, -3.294, 0.013, 0.099 ID 709-245: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.533, -3.160, 0.019, 0.090 ID 710-250: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.502, -3.236, 0.008, 0.072 ID 711-253: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.604, -3.059, 0.019, 0.051 ID 712-255: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.552, -3.324, 0.017, 0.079 ID 713-256: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.525, -3.275, 0.010, 0.064 ID 714-257: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.513, -2.959, 0.018, 0.089 ID 715-258: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.487, -3.163, 0.036, 0.064 ID 716-259: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.519, -3.236, 0.005, 0.060 ID 717-261: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.552, -3.323, 0.016, 0.076 ID 718-262: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.510, -2.772, 0.035, 0.097 ID 719-264: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.527, -2.962, 0.027, 0.094 ID 720-268: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.525, -3.042, 0.010, 0.082 ID 721-274: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.429, -3.245, 0.018, 0.086 ID 722-279: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.546, -3.251, 0.014, 0.093 ID 723-283: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.521, -2.874, 0.016, 0.069 ID 724-297: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.542, -2.979, 0.024, 0.088 ID 725-298: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.540, -3.095, 0.024, 0.096 ID 726-302: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.520, -3.154, 0.017, 0.058 ID 727-307: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.473, -3.144, 0.021, 0.075 ID 728-309: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.533, -3.176, 0.015, 0.099 ID 729-311: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.572, -2.913, 0.039, 0.074 ID 730-312: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.578, -3.062, 0.026, 0.081 ID 731-314: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.579, -3.089, 0.019, 0.094 ID 732-318: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.522, -2.992, 0.049, 0.086 ID 733-331: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.504, -2.886, 0.039, 0.088 ID 734-332: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.471, -3.212, 0.014, 0.079 ID 735-335: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.544, -2.896, 0.021, 0.076 ID 736-336: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.514, -3.304, 0.019, 0.069 ID 737-337: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.545, -2.978, 0.014, 0.050 ID 738-338: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.546, -3.304, 0.019, 0.052 ID 739-342: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.509, -2.891, 0.011, 0.076 ID 740-345: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.507, -2.891, 0.013, 0.059 ID 741-346: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.510, -2.967, 0.018, 0.080 ID 742-347: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.455, -3.294, 0.013, 0.098 ID 743-352: * 36 17 12 C2/m 3.81 2d 2b 8j 4i 4i 4i 4e 4i 4i , vol=772.6 ų 0.581, -3.070, 0.015, 0.047 Stopping after pair 1/2 (excellent r2 fit found; all WPs for this pair have been explored). Reached maximum structure limit and Stop further generation. Timing breakdown: 1) SPG + cell inference: 4m 22.1s 2) Structure inference: 6h 39m 07.7s Total: 6h 43m 29.8s No acceptance; return best result in spg=12 Best inferred-SG score observed: -2.8977