{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.489786 0.6379758 2.385139 ] [ 2.264964 0.0865491 0.9234604 ] [ 2.944507 2.806058 0.1090737 ] [ 1.576252 2.005156 0.0788695 ] [ 2.792909 2.291732 2.895835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.89786e-11 6.379758e-11 2.385139e-10 ] [ 2.264964e-10 8.654910000000001e-12 9.234604e-11 ] [ 2.944507e-10 2.806058e-10 1.090737e-11 ] [ 1.576252e-10 2.005156e-10 7.88695e-12 ] [ 2.792909e-10 2.291732e-10 2.895835e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.3843265 1.7232183 2.7241608 ] [ -1.7486814 -4.6063989 2.1063362 ] [ 34.9061035 23.1445563 6.0332707 ] [ -33.5414985 -18.2459396 -4.0206387 ] [ -4.0002501 -2.0154361 -6.843129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.024465474127001e-09 2.760900095541202e-09 4.364586781018746e-09 ] [ -2.801696479390407e-09 -7.380264684463302e-09 3.37472264298835e-09 ] [ 5.592574341168561e-08 3.708166730815749e-08 9.666365342136823e-09 ] [ -5.373940516604605e-08 -2.92332180924953e-08 -6.441773378896135e-09 ] [ -6.409107240376162e-09 -3.229084626740087e-09 -1.096390138724779e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.39496788 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.328083085165158e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.0208348 1.0290745 2.2782563 ] [ 1.9941788 -0.4798314 0.7151661 ] [ 3.0058601 3.1030339 0.6389385 ] [ 1.3312582 1.6705925 -0.0617868 ] [ 2.7162862 2.5046014 2.8218034 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0208348e-10 1.0290745e-10 2.2782563e-10 ] [ 1.9941788e-10 -4.798314e-11 7.151661000000001e-11 ] [ 3.0058601e-10 3.1030339e-10 6.389385e-11 ] [ 1.3312582e-10 1.6705925e-10 -6.17868e-12 ] [ 2.7162862e-10 2.5046014e-10 2.8218034e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.13e-05 -3.2e-06 -1.44e-05 ] [ 1.27e-05 -2.98e-05 -2.3e-06 ] [ -8.4e-06 -8.1e-06 -1.62e-05 ] [ -3.2e-06 2.4e-05 6.3e-06 ] [ 2.02e-05 1.71e-05 2.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.41263623042e-14 -5.1269652288e-15 -2.30713435296e-14 ] [ 2.03476432518e-14 -4.77448636932e-14 -3.685006258199999e-15 ] [ -1.34582837256e-14 -1.29776307354e-14 -2.59552614708e-14 ] [ -5.1269652288e-15 3.8452239216e-14 1.00937127942e-14 ] [ 3.236396800679999e-14 2.73972204414e-14 4.22974631376e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.985955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.240797030517547e-18 } }