{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [8.712737170323656, -4.262866574447903e-17, -4.4812544727240956e-17, 4.2241519605766575e-16, 6.4627012676375655, 2.5064839633065666e-07, 4.0332028647403207e-16, -6.335394032333481e-08, 6.5587516828276495]]}, "__ase_objtype__": "cell"}, "ctime": 24.89120163770918, "energy": 532.0708106988825, "forces": {"__ndarray__": [[16, 3], "float64", [-1.7422474016623274e-19, -0.0016690940517327397, 9.836272757902073e-05, 0.0, 0.00165051982988318, 7.872886902450601e-05, 0.0, 0.0008727655706307599, 0.0027543153784507952, 0.0, -0.0008721114521879052, 0.002756823649829853, -0.0022982922532120546, 0.0002409734264144723, -0.002129000234371656, 0.0022982922532120546, 0.0002409734264144723, -0.002129000234371656, 0.002299364205673591, -0.00024116741857347894, -0.002129130364432148, -0.0022993642056735922, -0.00024116741857347894, -0.002129130364432148, 0.0, -0.0018037504463870363, -0.000274855986007689, 0.0, 0.0018030861720806307, -0.0002560007878612359, 0.0, 0.008024422828153653, 0.00034618549106588993, 0.0, -0.008011128231734155, 0.00034955327624601, 0.0028410922190561763, -0.004509842380681124, 0.0006557631580645444, -0.002841092219056179, -0.004509842380681124, 0.0006557631580645444, -0.002841549010921835, 0.004514928416633399, 0.0006515263037961137, 0.002841549010921835, 0.004514928416633399, 0.0006515263037961137]]}, "mtime": 24.89120163770918, "numbers": {"__ndarray__": [[16], "int64", [50, 50, 56, 56, 29, 29, 29, 29, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[16, 3], "float64", [4.356368585161826, 1.364388501199684, 3.207873826811771, 2.846765244123118e-16, 5.098263255684062, -0.07149899832185645, 4.356368585161829, 4.711448795700446, 6.399538515222974, 2.575740696924052e-16, 1.751203035145596, 3.120160209403403, 6.512838165357816, 4.48015641013322, 3.3425812151217773, 2.1998990049658493, 4.48015641013322, 3.3425812151217773, 6.556267747074041, 1.9824956823838111, 6.621952605961648, 2.1564694232496127, 1.9824956823838111, 6.621952605961648, 4.356368585161826, 1.4916526311531504, 0.7744288870719042, 5.260805446724842e-16, 4.97099946344497, 4.053805571025636, 4.356368585161829, 5.423395652815476, 3.415919446789678, 3.278803176829455e-17, 1.0392549308445749, 0.13654245984329466, 6.943644158329705, 3.970770758199631, 1.1439775973102435, 1.7690930119939594, 3.970770758199631, 1.1439775973102435, 6.125461846728728, 2.491878879061416, 4.423351585651748, 2.5872753235949277, 2.491878879061416, 4.423351585651748]]}, "stress": {"__ndarray__": [[6], "float64", [0.00010121465082862737, 5.7718115548867524e-05, 0.00011367059050354197, 1.620290460385772e-08, 0.0, 0.0]]}, "unique_id": "faa2c2a0ce35162e84644f93b12ffb9e", "user": "cmr"}, "ids": [1], "nextid": 2}