{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.8490289 -18.7864488 -2.4008876 ] [ -8.9155301 1.7524277 10.2621784 ] [ -10.1663014 4.8479377 -4.7812578 ] [ 5.6670703 -8.5000469 -6.5517 ] [ 10.0400465 -3.2326258 9.4540553 ] [ 3.9537017 3.9176613 -11.4473834 ] [ 12.2700418 20.0010948 5.4649952 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.058641370356354e-08 -3.009920905521621e-08 -3.846645981888622e-09 ] [ -1.428425388825869e-08 2.807698690582316e-09 1.644182231095875e-08 ] [ -1.628821042308631e-08 7.767252442034925e-09 -7.660419465177642e-09 ] [ 9.079647543090041e-09 -1.361857641888351e-08 -1.049698056649536e-08 ] [ 1.608592777404487e-08 -5.179237480554897e-09 1.514706637341033e-08 ] [ 6.334528429357215e-09 6.276785343072935e-09 -1.834073005281401e-08 ] [ 1.965877410819875e-08 3.204528647896445e-08 8.75588754222422e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.9792373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.579794212275317e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.911679 0.6800742 2.7433654 ] [ 1.724612 2.6608685 4.1413053 ] [ 1.46145 4.1222129 2.2559993 ] [ 4.0820335 1.498806 2.0189394 ] [ 4.1942675 2.6978479 4.3318225 ] [ 3.584158 3.779634 1.1902058 ] [ 4.823005 4.6822615 3.0778773 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.911679e-10 6.800742e-11 2.7433654e-10 ] [ 1.724612e-10 2.6608685e-10 4.1413053e-10 ] [ 1.46145e-10 4.1222129e-10 2.2559993e-10 ] [ 4.0820335e-10 1.498806e-10 2.0189394e-10 ] [ 4.1942675e-10 2.6978479e-10 4.3318225e-10 ] [ 3.584158e-10 3.779634e-10 1.1902058e-10 ] [ 4.823005e-10 4.682261500000001e-10 3.0778773e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.04e-05 2.7e-06 2.5e-06 ] [ 1.39e-05 -9.6e-06 3.1e-06 ] [ -5.4e-06 2.66e-05 -3.4e-06 ] [ 1.54e-05 -1.23e-05 -1.45e-05 ] [ 3.5e-06 1.16e-05 4e-07 ] [ 3.8e-06 -1.87e-05 1e-06 ] [ -2.07e-05 -3e-07 1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.666263685632e-14 4.32587687616e-15 4.005441552e-15 ] [ 2.227025502912e-14 -1.538089555968e-14 4.96674752448e-15 ] [ -8.65175375232e-15 4.261789811328e-14 -5.44740051072e-15 ] [ 2.467351996032e-14 -1.970677243584e-14 -2.32315610016e-14 ] [ 5.6076181728e-15 1.858524880128e-14 6.408706483200001e-16 ] [ 6.08827115904e-15 -2.996070280896e-14 1.6021766208e-15 ] [ -3.316505605055999e-14 -4.8065298624e-16 1.730350750464e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }