{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.022762 0.907642 0.1236305 ] [ -3.9600234 -1.0624218 4.6822526 ] [ 5.2355244 -1.2484639 -2.6389497 ] [ 1.2263017 1.533563 -1.1514865 ] [ -1.4790407 -0.1303192 -1.0154469 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.638645365042649e-09 1.454202792456153e-09 1.980778967178144e-10 ] [ -6.344656909300926e-09 -1.702187369388254e-09 7.501795648400014e-09 ] [ 8.388234791307947e-09 -2.000259672492789e-09 -4.228063512807174e-09 ] [ 1.964751913787296e-09 2.45703878512391e-09 -1.844884749466819e-09 ] [ -2.369684430751667e-09 -2.087943754813594e-10 -1.626925282843835e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.490481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.840978001994661e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0115045 1.9129675 0.1684571 ] [ 1.0934903 1.5440016 2.6067768 ] [ 3.1093872 1.1282842 1.2276361 ] [ 2.1223687 3.5758299 1.6311821 ] [ 4.4422155 3.0805098 1.4782556 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0115045e-10 1.9129675e-10 1.684571e-11 ] [ 1.0934903e-10 1.5440016e-10 2.6067768e-10 ] [ 3.1093872e-10 1.1282842e-10 1.2276361e-10 ] [ 2.1223687e-10 3.5758299e-10 1.6311821e-10 ] [ 4.4422155e-10 3.0805098e-10 1.4782556e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.6e-06 -6e-07 -1.5e-06 ] [ -1.02e-05 4.1e-06 1.3e-06 ] [ 1.26e-05 7.5e-06 9e-07 ] [ -5.5e-06 -4e-07 1.09e-05 ] [ -4.5e-06 -1.05e-05 -1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.217654231808e-14 -9.6130597248e-16 -2.4032649312e-15 ] [ -1.634220153216e-14 6.568924145279999e-15 2.08282960704e-15 ] [ 2.018742542208e-14 1.2016324656e-14 1.44195895872e-15 ] [ -8.8119714144e-15 -6.408706483200001e-16 1.746372516672e-14 ] [ -7.2097947936e-15 -1.68228545184e-14 -1.858524880128e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.327095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.135236003218058e-18 } }