{ "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" [ [ -2.60814922668183e-08 -2.61130617151722e-08 -2.577479576739932e-08 ] [ -3.269755949785937e-08 -6.46455240010406e-08 9.979985568183415e-09 ] [ -2.893821852330307e-08 4.530215438241252e-08 1.513281965868051e-08 ] [ 3.311215586354742e-08 1.569330558114641e-08 -7.976940719918328e-08 ] [ 2.81606307793593e-08 -7.155551037294975e-08 4.832075735486813e-08 ] [ 2.644448364507401e-08 1.013186361256036e-07 3.211064038485052e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 26.868162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.304754100026697e-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" [ [ 9.13240673856e-15 -3.68500622784e-15 7.2097947936e-15 ] [ -1.28174129664e-14 -3.2043532416e-15 1.76239428288e-15 ] [ 6.408706483200001e-16 4.8065298624e-16 8.8119714144e-15 ] [ 8.17110076608e-15 6.72914180736e-15 9.6130597248e-16 ] [ -6.568924145279999e-15 3.36457090368e-15 -1.073458335936e-14 ] [ 1.6021766208e-15 -3.68500622784e-15 -8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.263261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.926096979376843e-18 } }