{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.26276, 4.26276, -4.26276, 4.26276, -4.26276, 4.26276, -4.26276, -4.26276, -4.26276]]}, "__ase_objtype__": "cell"}, "ctime": 24.79784056201004, "dipole": {"__ndarray__": [[3], "float64", [-0.002751058959514879, -0.0026908952814082214, 8.973897141133019e-05]]}, "energy": -281.78528822681307, "forces": {"__ndarray__": [[29, 3], "float64", [-0.0005740112756980748, 0.0005740112756980748, 0.0005740112756980748, -0.01573522174844261, -0.017167088562355957, 0.01573522174844261, -0.05435943645896717, -0.009433237908657884, 0.00931000612720279, -0.01573522174844261, 0.01573522174844261, -0.017167088562355957, -0.05435943645896717, 0.00931000612720279, -0.009433237908657884, 0.04759506418976118, 0.1069076838131337, -0.1068328134280418, 0.047595064189761185, -0.1068328134280418, 0.1069076838131337, -0.04831326844065021, -0.10672388648269104, -0.10672388648269104, -0.106006899276894, 0.04727521790161725, 0.106006899276894, -0.106006899276894, 0.106006899276894, 0.04727521790161724, 0.05324588974088374, 0.008491454610192246, 0.008491454610192246, -0.009310006127202794, -0.009433237908657884, 0.05435943645896717, -0.009310006127202794, 0.05435943645896717, -0.009433237908657884, 0.017167088562355957, 0.01573522174844261, 0.01573522174844261, 0.10672388648269104, -0.10672388648269104, 0.04831326844065021, 0.10672388648269104, 0.0483132684406502, -0.10672388648269104, 0.007766430656396812, -0.05391107391134732, -0.007766430656396813, 0.007766430656396812, -0.007766430656396813, -0.05391107391134732, 0.009433237908657884, 0.009310006127202794, 0.05435943645896717, 0.009433237908657884, 0.05435943645896717, 0.009310006127202794, 0.1068328134280418, 0.1069076838131337, -0.047595064189761185, 0.1068328134280418, -0.04759506418976118, 0.1069076838131337, 0.01665327326884504, -0.01665327326884504, -0.01665327326884504, -0.008491454610192246, 0.008491454610192243, -0.05324588974088374, -0.008491454610192245, -0.05324588974088374, 0.008491454610192245, 0.05391107391134731, -0.007766430656396813, -0.0077664306563968106, -0.1069076838131337, -0.1068328134280418, -0.04759506418976118, -0.1069076838131337, -0.04759506418976117, -0.1068328134280418, -0.04727521790161724, 0.106006899276894, 0.106006899276894]]}, "mtime": 24.79784056201004, "numbers": {"__ndarray__": [[29], "int64", [25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[29, 3], "float64", [0.0, 0.0, 0.0, 1.553170000035564, 1.553170000035564, -1.553170000035564, 3.945310000126992, 1.2244000001366162, -1.2244000001366162, 1.553170000035564, -1.553170000035564, 1.553170000035564, 3.945310000126992, -1.2244000001366164, 1.2244000001366164, 6.1271400000313445, 0.7532499997886399, -0.7532499997886399, 6.1271400000313445, -0.7532499997886403, 0.7532499997886403, 2.3983799999686557, -0.7532499997886399, -0.7532499997886399, 3.5095199997937683, 1.8643699995963845, -3.5095199997937683, 3.5095199997937683, -3.509519999793768, 1.864369999596384, 4.580209999873008, -1.224400000136616, -1.2244000001366162, 1.2244000001366162, 1.2244000001366162, -3.945310000126992, 1.2244000001366162, -3.945310000126992, 1.2244000001366162, -1.553170000035564, -1.553170000035564, -1.553170000035564, 0.7532499997886399, -0.7532499997886399, -2.398379999968656, 0.7532499997886399, -2.398379999968656, -0.7532499997886399, 3.038359999863385, -0.31744999987300787, -3.0383599998633843, 3.038359999863384, -3.0383599998633843, -0.31744999987300787, -1.2244000001366164, -1.2244000001366164, -3.945310000126992, -1.2244000001366164, -3.945310000126992, -1.2244000001366164, 0.7532499997886399, 0.7532499997886399, -6.1271400000313445, 0.7532499997886399, -6.1271400000313445, 0.7532499997886399, 2.709589999964436, -2.7095899999644364, -2.709589999964436, 1.2244000001366162, -1.224400000136616, -4.580209999873008, 1.2244000001366162, -4.580209999873008, -1.224400000136616, 0.31744999987300787, -3.0383599998633843, -3.0383599998633843, -0.7532499997886403, -0.7532499997886403, -6.1271400000313445, -0.7532499997886403, -6.1271400000313445, -0.7532499997886403, -1.864369999596384, -3.5095199997937683, -3.5095199997937683]]}, "stress": {"__ndarray__": [[6], "float64", [-0.03291240748016993, -0.032912407480169936, -0.03291240748016993, -5.9002912025824486e-05, 5.900291202582195e-05, 5.900291202582366e-05]]}, "unique_id": "4dfaf696581ea860e944555a55c57af5", "user": "cmr"}, "ids": [1], "nextid": 2}