{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4134615 4.3550543 0.6811538 ] [ -2.5233958 -0.2978262 8.2294988 ] [ -0.5824491 -1.7453511 -1.5445064 ] [ -4.3960244 -5.6870387 -0.2354932 ] [ 4.0866702 0.629539 -6.9255765 ] [ -4.7356695 1.7967088 -3.9036484 ] [ 8.5643301 0.9489139 3.6985718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.624383543585909e-10 6.977566239261226e-09 1.091328702520309e-09 ] [ -4.042925789093737e-09 -4.771701786330107e-10 1.318511068689104e-08 ] [ -9.331863385143294e-10 -2.796360750546197e-09 -2.474572065143457e-09 ] [ -7.04320757617387e-09 -9.111640521793735e-09 -3.773017025058888e-10 ] [ 6.547567505304107e-09 1.008632675991726e-09 -1.10959968452795e-08 ] [ -7.587379019246462e-09 2.878644857462178e-09 -6.254334253831485e-09 ] [ 1.372156957208288e-08 1.520327678257812e-09 5.92576531713132e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.498469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.284216806457335e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9669822 3.0751398 1.3253284 ] [ 2.7809391 3.2715492 5.174505 ] [ 0.9738352 3.1850989 3.5453925 ] [ 3.0035169 1.6587154 3.1940743 ] [ 4.3878834 3.0935437 1.5823531 ] [ 2.9967315 4.6774146 3.0414778 ] [ 4.8909437 3.2149445 3.9612859 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9669822e-10 3.0751398e-10 1.3253284e-10 ] [ 2.7809391e-10 3.2715492e-10 5.174505e-10 ] [ 9.738352000000001e-11 3.1850989e-10 3.5453925e-10 ] [ 3.0035169e-10 1.6587154e-10 3.1940743e-10 ] [ 4.3878834e-10 3.0935437e-10 1.5823531e-10 ] [ 2.9967315e-10 4.6774146e-10 3.0414778e-10 ] [ 4.8909437e-10 3.2149445e-10 3.9612859e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-05 7.6e-06 -0.0001956 ] [ 0.000132 -4.7e-06 0.0001578 ] [ 0.0001014 0.0001898 -4.47e-05 ] [ -7.39e-05 -0.0006961 6.41e-05 ] [ -6.13e-05 0.0001879 1.7e-06 ] [ -4.65e-05 0.0002102 -0.0001016 ] [ -5.6e-06 0.0001053 0.0001182 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012516399999e-14 1.21765424184e-14 -3.133857496104e-13 ] [ 2.11487315688e-13 -7.530230179799999e-15 2.528234728452e-13 ] [ 1.624607106876e-13 3.040931251332e-13 -7.16172955398e-14 ] [ -1.184008532526e-13 -1.1152751549274e-12 1.026995222394e-13 ] [ -9.821342766419999e-14 3.010489895286e-13 2.7237002778e-15 ] [ -7.450121348099999e-14 3.367775284667999e-13 -1.627811460144e-13 ] [ -8.972189150399999e-15 1.687091995602e-13 1.893772781388e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }