{ "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" [ [ 1.41976 2.173724 1.743633 ] [ 1.73064 2.628356 3.804992 ] [ 2.229685 4.150034 1.946802 ] [ 3.641834 1.485515 2.800746 ] [ 4.113003 2.080099 4.963049 ] [ 4.173975 3.620344 3.169433 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.41976e-10 2.173724e-10 1.743633e-10 ] [ 1.73064e-10 2.628356e-10 3.804992e-10 ] [ 2.229685e-10 4.150034e-10 1.946802e-10 ] [ 3.641834e-10 1.485515e-10 2.800746e-10 ] [ 4.113003e-10 2.080099e-10 4.963049e-10 ] [ 4.173975000000001e-10 3.620344e-10 3.169433e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0526845 -6.3951574 -7.0623411 ] [ -1.3940232 1.1425361 8.7017877 ] [ 0.9508175 6.4539555 -1.4369086 ] [ -0.0365623 -6.4413628 -4.4369853 ] [ 0.417376 -0.5964722 4.5687409 ] [ 3.1150766 5.8365009 -0.3342937 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.890939736578538e-09 -1.024617167261612e-08 -1.131511779853496e-08 ] [ -2.233471379892802e-09 1.830544627840011e-09 1.394180081210501e-08 ] [ 1.523377569147504e-09 1.034037661378357e-08 -2.302181365146459e-09 ] [ -5.857926226267584e-11 -1.032020088425083e-08 -7.108834114493274e-09 ] [ 6.687100692830209e-10 -9.55653813797142e-10 7.319929856472751e-09 ] [ 4.990902900521153e-09 9.351105289258159e-09 -5.35597550620729e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0624814 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.451969582551485e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6491711 1.8909374 1.8582537 ] [ 1.3536146 2.8344119 4.1988473 ] [ 2.2271129 4.3195142 2.3314043 ] [ 3.9322066 1.2403919 2.4087937 ] [ 3.6366445 2.1838503 4.7493944 ] [ 4.5101473 3.6689663 2.8819615 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6491711e-10 1.8909374e-10 1.8582537e-10 ] [ 1.3536146e-10 2.8344119e-10 4.1988473e-10 ] [ 2.2271129e-10 4.319514200000001e-10 2.3314043e-10 ] [ 3.932206600000001e-10 1.2403919e-10 2.4087937e-10 ] [ 3.6366445e-10 2.1838503e-10 4.7493944e-10 ] [ 4.5101473e-10 3.6689663e-10 2.8819615e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 -5.6e-06 -1.01e-05 ] [ -1.63e-05 -5.8e-06 1.42e-05 ] [ 1.79e-05 1.8e-05 8.8e-06 ] [ 1.13e-05 -1.55e-05 4.8e-06 ] [ -1e-07 4.6e-06 -2.6e-06 ] [ -1.27e-05 4.3e-06 -1.51e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 -8.972189076479999e-15 -1.618198387008e-14 ] [ -2.611547891904e-14 -9.292624400640001e-15 2.275090801536e-14 ] [ 2.867896151232001e-14 2.88391791744e-14 1.409915426304e-14 ] [ 1.810459581504e-14 -2.48337376224e-14 7.69044777984e-15 ] [ -1.6021766208e-16 7.370012455680001e-15 -4.16565921408e-15 ] [ -2.034764308416e-14 6.889359469440001e-15 -2.419286697408e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.325443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295188985720302e-18 } }