{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.601047 -6.0034204 -14.0622127 ] [ -25.0125684 -19.4320222 37.6670714 ] [ 8.2298012 -18.7648433 -12.4122376 ] [ -18.4110464 36.2740352 -48.5618838 ] [ 63.7948605 7.9262508 37.3692627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.582392883380198e-08 -9.618539809713786e-09 -2.253014842465685e-08 ] [ -4.007455231664086e-08 -3.113353166370658e-08 6.034930117108432e-08 ] [ 1.318559507647179e-08 -3.006459322823552e-08 -1.98865968945347e-08 ] [ -2.949774810654401e-08 5.811741113951625e-08 -7.780471488636627e-08 ] [ 1.022106340202974e-07 1.26992537223573e-08 5.987215903447349e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 41.161288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.594765331561559e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1748311 0.5458127 0.8399794 ] [ 0.6247818 1.0606807 2.7804412 ] [ 2.0278574 -0.0206562 -0.1983303 ] [ 2.4905299 2.8536875 0.5590959 ] [ 3.5641808 2.8652798 2.1107444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.748311e-11 5.458127e-11 8.399794000000001e-11 ] [ 6.247818000000001e-11 1.0606807e-10 2.7804412e-10 ] [ 2.0278574e-10 -2.06562e-12 -1.983303e-11 ] [ 2.4905299e-10 2.8536875e-10 5.590959e-11 ] [ 3.5641808e-10 2.8652798e-10 2.1107444e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4103587 -1.7895112 -0.9057612 ] [ -0.6694412 0.0272051 -1.4142803 ] [ -2.5579735 0.3248661 1.1550566 ] [ -0.0236539 0.1555426 1.6298012 ] [ 1.8407099 1.2818973 -0.4648163 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.259643736081881e-09 -2.867113007299753e-09 -1.451189418667753e-09 ] [ -1.072563039640297e-09 4.358737518652608e-11 -2.265926831918011e-09 ] [ -4.098325338325949e-09 5.204928703104749e-10 1.850604680220737e-09 ] [ -3.789772557074112e-11 2.492067172584461e-10 2.611229379191785e-09 ] [ 2.949142367455106e-09 2.053825884326644e-09 -7.447178088267591e-10 ] ] } "relaxed-potential-energy" { "source-value" -20.393678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.267427410372331e-18 } }