{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.954513108321781, 0.0, 0.0, 4.210506915947509e-16, 6.112756164315704, 0.0, 4.210506915947509e-16, -3.056378082157854, 5.293802125437324]]}, "__ase_objtype__": "cell"}, "ctime": 24.381470156914116, "dipole": {"__ndarray__": [[3], "float64", [-8.174418277006054e-14, 7.137920704415717e-14, -4.967853248414069e-14]]}, "energy": 329.4263763628176, "forces": {"__ndarray__": [[10, 3], "float64", [-2.3229965355497697e-19, -1.161498267774885e-18, 1.8583972284398158e-18, -2.555296189104747e-18, 9.291986142199079e-19, -1.8583972284398158e-18, -3.380404866111013e-30, -1.6902024330555067e-30, 0.0, 0.0, 8.451012165277533e-31, 0.0, 2.3229965355497697e-19, 0.0011166173031820956, -0.0006446793005739959, -9.291986142199079e-19, -3.7167944568796316e-18, 0.0012893586011479955, -2.32299653554977e-18, -0.001116617303182103, -0.0006446793005740016, 6.96898960664931e-19, -0.0011166173031820993, 0.0006446793005739959, 9.291986142199079e-19, -1.8583972284398158e-18, -0.0012893586011479955, -3.252195149769678e-18, 0.0011166173031820993, 0.0006446793005740016]]}, "mtime": 24.381470156914116, "numbers": {"__ndarray__": [[10], "int64", [28, 28, 15, 15, 34, 34, 34, 34, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[10, 3], "float64", [4.465884831241335, -1.2711099117102018e-15, 3.5292014169582155, 1.4886282770804458, 3.0563780821578512, 1.7646007084791078, 2.97725655416089, 9.71330297590954e-31, -1.857829862394086e-30, 3.7870709642704926e-29, 1.2967718151412133e-30, -1.1171827688821078e-30, 1.4886282770804455, -1.4309646770437157, 4.35536925845025, 1.4886282770804455, -7.179617188064885e-16, 1.8768657339741475, 1.4886282770804458, 1.430964677043712, 4.355369258450252, 4.465884831241335, 4.487342759201568, 0.9384328669870738, 4.465884831241336, 3.0563780821578512, 3.4169363914631754, 4.465884831241334, 1.6254134051141378, 0.938432866987074]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0004852195395036309, -0.0002977338585078395, -0.00029773385850783834, -6.221678422403653e-19, 6.480915023337139e-20, 0.0]]}, "unique_id": "52cdfac2c19d9fbf6e2b78258d8afa13", "user": "cmr"}, "ids": [1], "nextid": 2}