{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.19438849999999996 -0.6547861999999999 1.2707493999999997 ] [ 0.6966666999999999 -1.4202949999999999 -2.5423745999999996 ] [ -0.27417359999999996 0.5791586999999999 2.5316144999999994 ] [ -0.8190380999999999 0.34301049999999994 -0.5072692999999999 ] [ -0.8108139999999999 -2.4102852999999995 -2.0993300999999995 ] [ 2.0988738999999996 2.5411445999999995 1.5654329999999999 ] [ 0.08212169999999999 -1.0997633999999998 0.5810061999999999 ] [ -0.7792482999999999 2.1218160999999998 -0.7998290999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.114447100523808e-10 -1.049083141262473e-09 2.035964979575627e-09 ] [ 1.116183099229887e-09 -2.275563443639136e-09 -4.073333145435751e-09 ] [ -4.392745319605708e-10 9.279145288729209e-10 4.056093564778281e-09 ] [ -1.312243695364452e-09 5.495634037889183e-10 -8.127350129095814e-10 ] [ -1.299067234617331e-09 -3.861702757117914e-09 -3.363497605561725e-09 ] [ 3.362766692587317e-09 4.071362468192167e-09 2.508100154028806e-09 ] [ 1.315734678003514e-10 -1.762015207891518e-09 9.308745501798488e-10 ] [ -1.248493408058144e-09 3.399524149057035e-09 -1.281467484655505e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.005496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.768716391150792e-18 } }