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.
================================================================================ Run started: 2026-05-19 02:12:20 Input: /users/qzhu8/GitHub/TEST1/PXRD-agent/GSAS_PXRD/AlHLa2Ni9_6.csv ================================================================================ Per-system run log: 0518/logs/RunLog_AlHLa2Ni9_6.log Using deterministic pipeline execution. Phase 1 — rank 1/32: spg=59 | Found 8 cell(s): vol=897.3–1091.5 ų Phase 1 — rank 2/32: spg=31 | Found 8 cell(s): vol=897.3–1091.5 ų Phase 1 — rank 3/32: spg=58 | Found 2 cell(s): vol=1091.5 ų Phase 1 — rank 4/32: spg=34 | Found 2 cell(s): vol=1091.5 ų Phase 1 — rank 5/32: spg=62 | Found 2 cell(s): vol=1081.9–1091.5 ų Phase 1 — rank 6/32: spg=33 | Found 2 cell(s): vol=1081.9–1091.5 ų Phase 1 — rank 7/32: spg=55 | Found 2 cell(s): vol=1087.3 ų Phase 1 — rank 8/32: spg=32 | Found 2 cell(s): vol=1087.3 ų Phase 1 — rank 9/32: spg=53 | Found 2 cell(s): vol=1081.9–1091.5 ų Phase 1 — rank 10/32: spg=30 | Found 2 cell(s): vol=1081.9–1091.5 ų Phase 1 — rank 11/32: spg=47 | Found 30 cell(s): vol=897.6–1178.2 ų Phase 1 — rank 12/32: spg=25 | Found 15 cell(s): vol=897.6–1178.2 ų Phase 1 — rank 13/32: spg=16 | Found 5 cell(s): vol=897.6–1178.2 ų Phase 1 — rank 14/32: spg=17 | Found 10 cell(s): vol=897.6–1178.2 ų Phase 1 — rank 15/32: spg=18 | Found 7 cell(s): vol=897.6–1091.5 ų Phase 1 — rank 16/32: spg=19 | Found 2 cell(s): vol=1087.3–1091.5 ų Phase 1 — rank 17/32: spg=51 | Found 8 cell(s): vol=1087.3–1151.0 ų Phase 1 — rank 18/32: spg=28 | Found 8 cell(s): vol=1087.3–1151.0 ų Phase 1 — rank 19/32: spg=26 | Found 7 cell(s): vol=1087.3–1151.0 ų Phase 1 — rank 20/32: spg=12 | Found 5 cell(s): vol=704.1–1125.0 ų Phase 1 — rank 21/32: spg=8 | Found 5 cell(s): vol=704.1–1125.0 ų Phase 1 — rank 22/32: spg=5 | Found 5 cell(s): vol=704.1–1125.0 ų Phase 1 — rank 23/32: spg=10 | Found 15 cell(s): vol=352.0–1194.4 ų Phase 1 — rank 24/32: spg=6 | Found 15 cell(s): vol=352.0–1194.4 ų Phase 1 — rank 25/32: spg=3 | Found 15 cell(s): vol=352.0–1194.4 ų Phase 1 — rank 26/32: spg=15 | Found 1 cell(s): vol=1098.1 ų Phase 1 — rank 27/32: spg=9 | Found 1 cell(s): vol=1098.1 ų Phase 1 — rank 28/32: spg=14 | Found 8 cell(s): vol=765.4–1189.8 ų Phase 1 — rank 29/32: spg=13 | Found 10 cell(s): vol=352.0–1189.8 ų Phase 1 — rank 30/32: spg=7 | Found 10 cell(s): vol=352.0–1189.8 ų Phase 1 — rank 31/32: spg=11 | Found 13 cell(s): vol=763.6–1194.4 ų Phase 1 — rank 32/32: spg=4 | Found 13 cell(s): vol=763.6–1194.4 ų Phase 2: ranked 1 (cell, SPG) pair(s) from 32 seed SPG candidates. Volume range: 704.1–704.1 ų | Total candidates: 1 Phase 2 strategy: globally rank every (cell, SPG) pair by a balanced score combining relative estimated trials and relative volume (trial_weight=0.65, volume_weight=0.35), then break ties by (fewer estimated trials, smaller volume, fewer candidates), then (symmetry, SG prediction rank, missing, chi2). Pair WPs SPG Volume(ų) Chi2 EstTrials Missing BalScore Dims -------------------------------------------------------------------------------------------------------- 1 1 12 704.1 0.0023 186 9 0.088 10.019 16.204 4.976 60.640 [Pair 1/1] vol=704.1 ų, spg=12, dims= 10.019 16.204 4.976 60.640: 1 WP choices. WP #1: spg=12, count=1, dof=24, n_wps=11, wyckoff=[['4i'], ['4i'], ['4i', '4i'], ['8j', '8j', '4i', '4i', '4i', '4i', '4i']] [Pair 1/1] vol=704.1 ų, spg=12, dims= 10.019 16.204 4.976 60.640: 1 WP choices. WP #1: spg=12, count=1, dof=24, n_wps=11, wyckoff=[['4i'], ['4i'], ['4i', '4i'], ['8j', '8j', '4i', '4i', '4i', '4i', '4i']] [Pair 1/1] vol=704.1 ų, spg=12, dims= 10.019 16.204 4.976 60.640: 1 WP choices. WP #1: spg=12, count=1, dof=24, n_wps=11, wyckoff=[['4i'], ['4i'], ['4i', '4i'], ['8j', '8j', '4i', '4i', '4i', '4i', '4i']] Timing breakdown: 1) SPG + cell inference: 15m 54.7s 2) Structure inference: 46m 04.0s Total: 1h 1m 58.7s