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F3OV_7
Solved Structure
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Energy-R2 Fit
Open PNGRun Summary
FormulaF3OV
Crystal Systemmonoclinic
Input SG7
Solved SG19
R20.9329
Chi21.3851
Rwp/Wr24.0305
Statusbest_result
Valid Structures1570
Candidates306
Total Time16h 23m 30.3s
Search Details
Phase 1 SGs57
Phase 2 Pairs109
Refined Structures540
Refine Failures175
Reached maximum structure limit and Stop further generation.
Log Preview
ID 1482-45: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.774, -5.503, 0.007, 0.064 [refine-failed] Refinement failed; continuing search without refined metrics. ID 1483-46: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.843, -5.390, 0.019, 0.077 [refine-failed] ID 1484-47: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.583, -5.205, 0.006, 0.080 ID 1485-48: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.688, -5.152, 0.005, 0.086 ID 1486-51: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.584, -5.483, 0.019, 0.097 ID 1487-53: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.612, -5.208, 0.002, 0.091 ID 1488-54: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.593, -5.544, 0.003, 0.080 ID 1489-55: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.408, -5.652, 0.022, 0.086 ID 1490-57: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.415, -5.744, 0.023, 0.071 ID 1491-59: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.509, -5.420, 0.000, 0.062 ID 1492-60: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.388, -5.402, 0.005, 0.095 ID 1493-61: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.430, -5.331, 0.007, 0.084 ID 1494-63: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.546, -5.065, 0.009, 0.079 ID 1495-64: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.418, -5.305, 0.018, 0.095 ID 1496-66: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.573, -5.401, 0.002, 0.076 ID 1497-67: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.458, -4.813, 0.004, 0.083 ID 1498-68: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.471, -5.223, 0.006, 0.085 ID 1499-69: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.325, -5.385, 0.000, 0.092 ID 1500-70: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.617, -5.421, 0.009, 0.095 ID 1501-72: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.465, -4.945, 0.001, 0.084 ID 1502-74: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.513, -5.321, 0.001, 0.091 ID 1503-76: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.505, -5.400, 0.001, 0.095 ID 1504-78: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.346, -5.367, 0.003, 0.067 ID 1505-80: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.546, -5.571, 0.004, 0.081 ID 1506-83: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.706, -5.503, 0.009, 0.085 76.365, 0.322, 13.987, -32.9, 14.8s ID 1507-85: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.638, -5.331, 0.008, 0.093 ID 1508-86: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.535, -5.562, 0.002, 0.084 ID 1509-87: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.689, -5.422, 0.000, 0.074 ID 1510-88: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.377, -5.536, 0.018, 0.075 ID 1511-89: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.805, -4.838, 0.024, 0.448 68.481, 0.455, 11.248, -29.0, 6.6s ID 1512-94: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.395, -5.744, 0.023, 0.076 ID 1513-95: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.655, -5.236, 0.005, 0.069 ID 1514-96: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.638, -5.163, 0.001, 0.136 ID 1515-98: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.605, -5.546, 0.001, 0.064 ID 1516-99: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.621, -5.326, 0.008, 0.087 ID 1517-102: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.547, -5.426, 0.011, 0.084 ID 1518-104: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.368, -5.466, 0.012, 0.062 ID 1519-106: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.498, -5.228, 0.000, 0.063 ID 1520-107: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.694, -5.422, 0.010, 0.046 Refinement failed; continuing search without refined metrics. ID 1521-111: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.801, -5.122, 0.003, 0.094 [refine-failed] ID 1522-114: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.441, -5.541, 0.005, 0.087 ID 1523-115: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.421, -5.512, 0.001, 0.060 ID 1524-117: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.581, -5.254, 0.006, 0.071 ID 1525-119: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.468, -5.346, 0.007, 0.064 ID 1526-120: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.427, -5.465, 0.010, 0.068 ID 1527-123: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.615, -4.901, 0.001, 0.087 ID 1528-125: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.417, -5.442, 0.013, 0.070 ID 1529-126: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.648, -5.405, 0.010, 0.094 ID 1530-127: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.557, -5.083, 0.004, 0.076 ID 1531-128: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.668, -4.972, 0.007, 0.075 ID 1532-129: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.609, -5.475, 0.001, 0.095 ID 1533-132: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.545, -5.455, 0.015, 0.078 ID 1534-133: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.432, -4.742, 0.011, 0.073 Refinement failed; continuing search without refined metrics. ID 1535-135: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.917, -5.548, 0.002, 0.096 [refine-failed] ID 1536-137: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.717, -4.911, 0.019, 0.081 ID 1537-139: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.646, -5.196, 0.002, 0.070 ID 1538-140: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.427, -5.744, 0.023, 0.067 ID 1539-141: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.352, -4.912, 0.000, 0.082 ID 1540-142: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.606, -5.021, 0.014, 0.096 ID 1541-143: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.629, -5.436, 0.014, 0.049 ID 1542-144: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.691, -5.227, 0.003, 0.051 ID 1543-146: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.386, -5.385, 0.000, 0.068 ID 1544-147: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.751, -4.676, 0.007, 0.069 ID 1545-149: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.652, -5.422, 0.012, 0.066 ID 1546-151: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.385, -5.504, 0.009, 0.075 ID 1547-153: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.531, -5.242, 0.009, 0.078 ID 1548-154: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.693, -5.346, 0.008, 0.066 ID 1549-155: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.640, -5.457, 0.007, 0.085 ID 1550-156: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.387, -5.190, 0.015, 0.096 ID 1551-157: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.506, -5.520, 0.013, 0.080 ID 1552-158: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.468, -5.237, 0.003, 0.074 ID 1553-159: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.552, -4.879, 0.006, 0.080 ID 1554-160: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.707, -5.342, 0.012, 0.093 ID 1555-165: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.521, -5.367, 0.023, 0.090 ID 1556-166: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.508, -4.831, 0.019, 0.059 ID 1557-167: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.550, -5.618, 0.003, 0.070 ID 1558-168: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.366, -5.662, 0.020, 0.071 ID 1559-172: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.595, -5.443, 0.008, 0.129 ID 1560-173: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.574, -5.250, 0.000, 0.216 ID 1561-174: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.583, -5.537, 0.004, 0.084 ID 1562-175: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.412, -5.407, 0.008, 0.066 ID 1563-176: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.513, -4.875, 0.001, 0.081 ID 1564-180: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.657, -4.845, 0.013, 0.077 ID 1565-181: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.492, -5.343, 0.008, 0.098 ID 1566-184: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.428, -5.536, 0.004, 0.067 ID 1567-185: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.758, -5.473, 0.018, 0.156 75.385, 0.339, 13.631, -32.4, 34.8s ID 1568-187: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.499, -5.146, 0.006, 0.094 ID 1569-188: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.771, -5.451, 0.012, 0.280 70.226, 0.427, 11.829, -29.8, 23.6s ID 1570-189: * 30 25 5 C2 2.18 4c 4c 4c 4c 2b 4c 2a 4c 2b , vol=565.9 ų 0.525, -3.896, 0.003, 0.082 Reached max relaxation (1500); stopping further generation. Reached maximum structure limit and Stop further generation. Timing breakdown: 1) SPG + cell inference: 16m 04.6s 2) Structure inference: 16h 7m 25.7s Total: 16h 23m 30.3s No acceptance; return best result in spg=5 Best inferred-SG score observed: -4.4877