{ "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" [ [ 1.601927 2.20995 2.424099 ] [ 1.129906 4.274554 2.615066 ] [ 2.801527 4.173724 0.979437 ] [ 2.35061 3.246819 4.113867 ] [ 5.119967 2.708037 1.074647 ] [ 4.165482 2.492594 3.422722 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.601927e-10 2.20995e-10 2.424099e-10 ] [ 1.129906e-10 4.274554e-10 2.615066e-10 ] [ 2.801527e-10 4.173724e-10 9.79437e-11 ] [ 2.35061e-10 3.246819e-10 4.113867e-10 ] [ 5.119967e-10 2.708037e-10 1.074647e-10 ] [ 4.165482e-10 2.492594e-10 3.422722e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6564963 -5.4953935 -4.8675914 ] [ -2.557087 6.089279 -1.4766898 ] [ 4.9067534 -4.8815981 0.1707124 ] [ -1.3859676 2.8074108 8.3176956 ] [ -6.5416698 3.7747196 1.2491714 ] [ 3.9214747 -2.2944178 -3.3932982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.653999666167454e-09 -8.804591060335477e-09 -7.798741204939346e-09 ] [ -4.096905042505158e-09 9.756100531706887e-09 -2.365917893226133e-09 ] [ 7.861485646280055e-09 -7.821182412398793e-09 2.735114184140615e-10 ] [ -2.220564904201058e-09 4.497967985799247e-09 1.332641753904461e-08 ] [ -1.048091050090345e-08 6.047767543021826e-09 2.001393228941067e-09 ] [ 6.282895135162159e-09 -3.676062587793685e-09 -5.436663088234259e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.382962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.144186901010991e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8176303 2.1087464 2.3137303 ] [ 1.4223102 4.5515444 2.5334086 ] [ 2.6584215 3.6875338 0.6611577 ] [ 2.4241365 3.3666197 4.3684141 ] [ 4.7795508 3.3701841 1.5112369 ] [ 4.0673698 2.0210496 3.2418906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8176303e-10 2.1087464e-10 2.3137303e-10 ] [ 1.4223102e-10 4.5515444e-10 2.5334086e-10 ] [ 2.6584215e-10 3.687533800000001e-10 6.611577e-11 ] [ 2.4241365e-10 3.3666197e-10 4.3684141e-10 ] [ 4.7795508e-10 3.3701841e-10 1.5112369e-10 ] [ 4.0673698e-10 2.0210496e-10 3.2418906e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.43e-05 -1e-06 3.19e-05 ] [ -1.6e-06 4.4e-06 -7.1e-06 ] [ 3.05e-05 1.54e-05 -1.79e-05 ] [ 1.47e-05 -4.73e-05 -1.3e-05 ] [ -2.03e-05 -1.23e-05 -8.5e-06 ] [ -8.9e-06 4.08e-05 1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.29111258662e-14 -1.602176634e-15 5.11094346246e-14 ] [ -2.5634826144e-15 7.0495771896e-15 -1.13754541014e-14 ] [ 4.886638733699999e-14 2.46735201636e-14 -2.86789617486e-14 ] [ 2.35519965198e-14 -7.578295478819998e-14 -2.082829624199999e-14 ] [ -3.252418567019999e-14 -1.97067725982e-14 -1.3618501389e-14 ] [ -1.42593720426e-14 6.53688066672e-14 2.33917788564e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.026204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.888116284851733e-18 } }