{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7395932 -2.8533694 4.405714 ] [ -1.6365765 2.5744197 -0.3145558 ] [ -5.0871435 1.8379242 -3.6177279 ] [ 0.1677619 3.8253689 0.8459965 ] [ 5.4118713 -2.832882 -2.9160165 ] [ -0.3409172 -2.3760617 2.7781099 ] [ 2.2245973 -0.1753997 -1.1815202 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.184958943705289e-09 -4.571601780850599e-09 7.058732026886675e-09 ] [ -2.622084628053501e-09 4.124675089449289e-09 -5.039739528491772e-10 ] [ -8.150502449504978e-09 2.944679208303142e-09 -5.796239109549889e-09 ] [ 2.687841962554446e-10 6.128916668010282e-09 1.355435824745781e-09 ] [ 8.670773743075203e-09 -4.538777347279187e-09 -4.67197350065846e-09 ] [ -5.462095719687046e-10 -3.806870536682318e-09 4.451022768464076e-09 ] [ 3.564197814119488e-09 -2.810213009506098e-10 -1.893004057039007e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.771404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.007510487617414e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4406176 3.0336376 3.7090649 ] [ 2.8486066 5.5447761 0.9575676 ] [ 1.0572628 3.9056939 1.4981682 ] [ 2.1957005 5.3138874 3.3105021 ] [ 3.2794072 3.0192966 0.9575605 ] [ 4.9700096 4.6334934 1.6392739 ] [ 3.8427947 3.3797481 3.4104158 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4406176e-10 3.0336376e-10 3.7090649e-10 ] [ 2.8486066e-10 5.5447761e-10 9.575676e-11 ] [ 1.0572628e-10 3.905693900000001e-10 1.4981682e-10 ] [ 2.1957005e-10 5.313887399999999e-10 3.3105021e-10 ] [ 3.2794072e-10 3.0192966e-10 9.575605000000001e-11 ] [ 4.9700096e-10 4.6334934e-10 1.6392739e-10 ] [ 3.8427947e-10 3.3797481e-10 3.4104158e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-05 1.42e-05 1.97e-05 ] [ -9.1e-06 1.62e-05 4.9e-06 ] [ 2e-07 -1.4e-05 -4.4e-06 ] [ 2.99e-05 -2.28e-05 -3.77e-05 ] [ -1.95e-05 -5.4e-06 -4.6e-06 ] [ 1.5e-05 3.8e-05 7.5e-06 ] [ 6.4e-06 -2.62e-05 1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.6850062582e-14 2.27509082028e-14 3.15628796898e-14 ] [ -1.45798073694e-14 2.59552614708e-14 7.850665506599998e-15 ] [ 3.204353268e-16 -2.243047287599999e-14 -7.0495771896e-15 ] [ 4.790508135659999e-14 -3.65296272552e-14 -6.040205910179999e-14 ] [ -3.1242444363e-14 -8.6517538236e-15 -7.370012516399999e-15 ] [ 2.403264951e-14 6.088271209199999e-14 1.2016324755e-14 ] [ 1.02539304576e-14 -4.197702781079999e-14 2.33917788564e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.361976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.422565880326878e-18 } }