{ "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" [ [ 0.2934362 2.840867 1.110891 ] [ 0.7634727 2.370483 2.358735 ] [ 2.954483 0.5132865 0.5514058 ] [ 1.977096 2.170821 0.0967804 ] [ 2.774594 2.595093 2.624283 ] [ 2.05175 1.547661 1.964386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.934362e-11 2.840867e-10 1.110891e-10 ] [ 7.634727e-11 2.370483e-10 2.358735e-10 ] [ 2.954483e-10 5.132865e-11 5.514058e-11 ] [ 1.977096e-10 2.170821e-10 9.67804e-12 ] [ 2.774594e-10 2.595093e-10 2.624283e-10 ] [ 2.05175e-10 1.547661e-10 1.964386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -39.4661265 30.1877411 -72.9790854 ] [ -23.4045002 -2.9846314 83.4386324 ] [ 9.7768465 -14.846567 -6.8671961 ] [ 0.9640527 10.3871618 -18.2180491 ] [ 55.1065149 57.1700316 40.4173251 ] [ -2.9767874 -79.913736 -25.7916269 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.323170519183533e-08 4.836609302518327e-08 -1.169253844352466e-07 ] [ -3.749814304194893e-08 -4.781906650785573e-09 1.336834261028054e-07 ] [ 1.566423488745031e-08 -2.37868225465408e-08 -1.100246104186894e-08 ] [ 1.544582697159116e-09 1.664206779242684e-08 -2.918853234460648e-08 ] [ 8.829036982654685e-08 9.159648803991723e-08 6.475569335049302e-08 ] [ -4.769339177372018e-09 -1.280359194999833e-07 -4.132274163157638e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 47.430848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.599259577031844e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4893696 3.3957722 0.5534493 ] [ 0.68492 2.7777193 2.7561941 ] [ 3.4873376 1.1383162 0.2304903 ] [ 1.1781439 1.3371949 -0.1950105 ] [ 2.9789553 2.6232368 3.2724461 ] [ 1.9961055 0.7659721 2.0889119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.893696e-11 3.3957722e-10 5.534493e-11 ] [ 6.8492e-11 2.7777193e-10 2.7561941e-10 ] [ 3.4873376e-10 1.1383162e-10 2.304903e-11 ] [ 1.1781439e-10 1.3371949e-10 -1.950105e-11 ] [ 2.9789553e-10 2.6232368e-10 3.2724461e-10 ] [ 1.9961055e-10 7.659721e-11 2.0889119e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 7.16e-05 -7.41e-05 ] [ -1.1e-06 1.3e-06 3.09e-05 ] [ 3.1e-05 2.48e-05 -1.8e-05 ] [ -4.88e-05 -5.39e-05 1.61e-05 ] [ -4.3e-06 -2.83e-05 3.48e-05 ] [ 3.44e-05 -1.56e-05 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 1.1471584604928e-13 -1.1872128760128e-13 ] [ -1.76239428288e-15 2.08282960704e-15 4.950725758272e-14 ] [ 4.96674752448e-14 3.973398019584e-14 -2.88391791744e-14 ] [ -7.818621909504e-14 -8.635731986112e-14 2.579504359488e-14 ] [ -6.889359469440001e-15 -4.534159836864e-14 5.575574640383999e-14 ] [ 5.511487575552001e-14 -2.499395528448e-14 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.917707 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.710515463294451e-18 } }