{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.2787872 -16.2984913 -16.0873623 ] [ -20.4082116 -40.3485628 6.2290171 ] [ -18.0618155 28.275381 9.4451632 ] [ 20.6669823 9.794991 -49.7881483 ] [ 17.5764834 -44.6614371 30.1594448 ] [ 16.5053486 63.2381192 20.0418855 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.608149248169828e-08 -2.611306193031228e-08 -2.577479597975249e-08 ] [ -3.269755976724775e-08 -6.464552453364161e-08 9.97998565040644e-09 ] [ -2.893821876171903e-08 4.530215475564754e-08 1.513281978335667e-08 ] [ 3.311215613635158e-08 1.569330571044029e-08 -7.976940785638682e-08 ] [ 2.816063101136887e-08 -7.155551096248071e-08 4.83207577529728e-08 ] [ 2.644448386294461e-08 1.013186369603468e-07 3.211064064940341e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 26.868162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.304754135492671e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7782037 0.0346894 0.1246395 ] [ 0.4265872 -0.1606944 2.3990142 ] [ 0.0974493 2.0820572 2.8420979 ] [ 2.7948791 1.1172517 0.4770804 ] [ 2.7423024 0.1997356 2.7075789 ] [ 2.3178223 2.5520015 2.3814128 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.782037e-11 3.46894e-12 1.246395e-11 ] [ 4.265872e-11 -1.606944e-11 2.3990142e-10 ] [ 9.744930000000001e-12 2.0820572e-10 2.8420979e-10 ] [ 2.7948791e-10 1.1172517e-10 4.770804e-11 ] [ 2.7423024e-10 1.997356e-11 2.7075789e-10 ] [ 2.3178223e-10 2.5520015e-10 2.3814128e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.7e-06 -2.3e-06 4.5e-06 ] [ -8e-06 -2e-06 1.1e-06 ] [ 4e-07 3e-07 5.5e-06 ] [ 5.1e-06 4.2e-06 6e-07 ] [ -4.1e-06 2.1e-06 -6.7e-06 ] [ 1e-06 -2.3e-06 -5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.1324068138e-15 -3.685006258199999e-15 7.209794853e-15 ] [ -1.2817413072e-14 -3.204353268e-15 1.7623942974e-15 ] [ 6.408706536e-16 4.806529901999999e-16 8.811971486999999e-15 ] [ 8.1711008334e-15 6.729141862799999e-15 9.613059803999998e-16 ] [ -6.568924199399999e-15 3.364570931399999e-15 -1.07345834478e-14 ] [ 1.602176634e-15 -3.685006258199999e-15 -8.1711008334e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.263261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.926097003484347e-18 } }