{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0909404 0.3504436 2.335509 ] [ 2.174921 0.6476227 0.0631824 ] [ 2.07151 0.3484765 2.894541 ] [ 2.345183 1.577217 1.820601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.09404e-12 3.504436000000001e-11 2.335509e-10 ] [ 2.174921e-10 6.476227e-11 6.31824e-12 ] [ 2.07151e-10 3.484765e-11 2.894541e-10 ] [ 2.345183e-10 1.577217e-10 1.820601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.1834072 -5.7787925 2.238787 ] [ 0.5462572 0.7792878 -13.0689031 ] [ 0.4622903 -3.5675058 14.3062445 ] [ 11.1748596 8.5670104 -3.4761285 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.951997017752639e-08 -9.258646239954384e-09 3.58693219035097e-09 ] [ 8.752005147836698e-10 1.248556694034666e-09 -2.093869100632065e-08 ] [ 7.406707106826182e-10 -5.715774387328401e-09 2.292113046934858e-08 ] [ 1.790409879184244e-08 1.372586377303046e-08 -5.569371813596573e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1607955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.870682515629846e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.0322065 0.5306375 2.66614 ] [ 2.5817553 0.7981893 -0.57395 ] [ 2.1816413 0.0459524 3.509804 ] [ 1.9513643 1.5489805 1.5118393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.22065e-12 5.306375e-11 2.66614e-10 ] [ 2.5817553e-10 7.981893e-11 -5.7395e-11 ] [ 2.1816413e-10 4.59524e-12 3.509804e-10 ] [ 1.9513643e-10 1.5489805e-10 1.5118393e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.65e-05 2.9e-06 2.42e-05 ] [ 2.03e-05 1.3e-06 1.4e-05 ] [ 3.82e-05 -4.42e-05 3.48e-05 ] [ -2e-06 4.01e-05 -7.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.052297907519999e-14 4.646312200320001e-15 3.877267422336e-14 ] [ 3.252418540224e-14 2.08282960704e-15 2.24304726912e-14 ] [ 6.120314691456e-14 -7.081620663936001e-14 5.575574640383999e-14 ] [ -3.2043532416e-15 6.424728249408e-14 -1.1711911098048e-13 ] ] } "relaxed-potential-energy" { "source-value" -10.326579 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.654500344664425e-18 } }