{ "1": { "numbers": [ 32, 32 ], "positions": [ [ 0.0, 0.0, 0.0 ], [ 1.4393599998440048, -1.439359999844005, -1.4393600001318767 ] ], "cell": [ [ 2.878716, -2.878716, 0.0 ], [ -2.878716, 0.0, -2.878716 ], [ 2.878716, 2.878716, 0.0 ] ], "pbc": [ true, true, true ], "energy": -9.031702577499647, "forces": [ [ 0.0011562053151112268, -0.0011562053151112268, -0.0011562053151112268 ], [ -0.001156205369739888, 0.001156205369739888, 0.001156205369739888 ] ], "stress": [ -0.001583234477009918, -0.001583234477009918, -0.0015832344770099179, -9.743556752521884e-07, 9.743556752521763e-07, 9.743556752521884e-07 ] } }