{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.03209 -0.2900445 -7.5866625 ] [ -19.0596556 -14.504684 17.9540794 ] [ 0.3755204 -2.0434168 0.5562056 ] [ -23.2928739 18.8971943 -40.2605045 ] [ 48.009099 -2.059049 29.336882 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.66447365218506e-09 -4.647025207202129e-10 -1.215517338754402e-08 ] [ -3.053693485440725e-08 -2.323906578835365e-08 2.876560649966074e-08 ] [ 6.016500104703335e-10 -3.273914650483051e-09 8.911396160199503e-10 ] [ -3.731929830128845e-08 3.027664315561798e-08 -6.450443958295184e-08 ] [ 7.691905663719276e-08 -3.298960196061066e-09 4.700286685481518e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.5751334 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.523641928912975e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0976893 1.1950593 0.6493327 ] [ 1.3380525 0.9213045 2.5916312 ] [ 2.3306883 0.4478177 0.5804272 ] [ 1.8503565 2.6668323 0.2646512 ] [ 3.2653942 2.0737908 2.0058883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.768930000000002e-12 1.1950593e-10 6.493327e-11 ] [ 1.3380525e-10 9.213045e-11 2.5916312e-10 ] [ 2.3306883e-10 4.478177e-11 5.804272000000001e-11 ] [ 1.8503565e-10 2.6668323e-10 2.646512e-11 ] [ 3.2653942e-10 2.0737908e-10 2.0058883e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.98e-05 -1e-07 5.72e-05 ] [ 8e-07 -3.17e-05 1.55e-05 ] [ 2.52e-05 -4.54e-05 -2.86e-05 ] [ 2.18e-05 7.54e-05 -0.0001069 ] [ -1.8e-05 1.8e-06 6.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.77448636932e-14 -1.602176634e-16 9.164450346479999e-14 ] [ 1.2817413072e-15 -5.078899929779999e-14 2.4833737827e-14 ] [ 4.037485117679999e-14 -7.273881918359998e-14 -4.58222517324e-14 ] [ 3.492745062119999e-14 1.208041182036e-13 -1.712726821746e-13 ] [ -2.8839179412e-14 2.8839179412e-15 1.006166926152e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247335191657e-18 } }