{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.736999 -16.9687626 -42.4197896 ] [ -19.3008063 16.1346423 33.072042 ] [ -0.2538257 -0.2144422 -0.2865509 ] [ 0.4461113 -0.9423121 -0.0225437 ] [ 12.3715217 1.9908746 9.6568421 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.079386229215298e-08 -2.718695472162542e-08 -6.7963995156375e-08 ] [ -3.092330061644935e-08 2.585054667803074e-08 5.298725249451568e-08 ] [ -4.066736022981945e-10 -3.435742793529178e-10 -4.591051526491987e-10 ] [ 7.147490951346951e-10 -1.509750416116952e-09 -3.611898908632896e-11 ] [ 1.982136283145987e-08 3.189732739064551e-09 1.547196664337718e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.5278738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.050100302692855e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2079581 1.8340951 -0.2922274 ] [ 0.1340359 3.359322 1.4964819 ] [ 1.8463947 0.2192943 0.196823 ] [ 2.7851747 0.7465993 2.2877286 ] [ 1.7270117 2.6873427 3.0908795 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.079581e-11 1.8340951e-10 -2.922274e-11 ] [ 1.340359e-11 3.359322e-10 1.4964819e-10 ] [ 1.8463947e-10 2.192943e-11 1.96823e-11 ] [ 2.7851747e-10 7.465993e-11 2.2877286e-10 ] [ 1.7270117e-10 2.6873427e-10 3.0908795e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.86e-05 4.99e-05 1.57e-05 ] [ 1.2e-06 -2.74e-05 -5.15e-05 ] [ 1.82e-05 4.5e-06 3.26e-05 ] [ 1.31e-05 -4.7e-06 3.1e-06 ] [ 6.1e-06 -2.22e-05 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.184401756288e-14 7.994861337792e-14 2.515417294656e-14 ] [ 1.92261194496e-15 -4.389963940992e-14 -8.25120959712e-14 ] [ 2.915961449856e-14 7.2097947936e-15 5.223095783807999e-14 ] [ 2.098851373248e-14 -7.53023011776e-15 4.96674752448e-15 ] [ 9.77327738688e-15 -3.556832098176e-14 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.57084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853852933101747e-18 } }