{ "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" [ [ 0.2279875 0.3441096 1.620821 ] [ 0.0638848 2.12081 2.259282 ] [ 2.131638 0.0282353 0.491309 ] [ 2.985428 0.1085719 2.760683 ] [ 1.598201 2.879516 0.4111126 ] [ 2.843247 2.032667 1.905289 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.279875e-11 3.441096000000001e-11 1.620821e-10 ] [ 6.388480000000001e-12 2.12081e-10 2.259282e-10 ] [ 2.131638e-10 2.82353e-12 4.91309e-11 ] [ 2.985428e-10 1.085719e-11 2.760683e-10 ] [ 1.598201e-10 2.879516e-10 4.111126e-11 ] [ 2.843247e-10 2.032667e-10 1.905289e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9903775 -12.5819834 -1.8888828 ] [ -2.6540349 9.6448826 3.7454527 ] [ 0.7547294 -4.0325371 -5.1536251 ] [ 2.0462103 -5.306017 4.3896566 ] [ -2.2298269 4.5546721 -4.7853804 ] [ 8.0732996 7.7209829 3.6927789 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.597642780266352e-09 -2.015855964677369e-08 -3.026323861591243e-09 ] [ -4.252232667567266e-09 1.545280541208072e-08 6.000876750252237e-09 ] [ 1.209209799710412e-09 -6.460836664128632e-09 -8.257017647588063e-09 ] [ 3.278390303900154e-09 -8.501176386967354e-09 7.033005177860417e-09 ] [ -3.57257652761094e-09 7.29738915403004e-09 -7.667024598514552e-09 ] [ 1.293485187183399e-08 1.237037829197659e-08 5.916484019363541e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.313007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.331890546394675e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2743063 -0.004972 2.0633319 ] [ 0.2168421 2.3899404 2.1786908 ] [ 1.8936698 0.1316646 0.0353535 ] [ 2.8434215 0.0378876 2.4525555 ] [ 1.8361801 2.5265797 0.1506926 ] [ 2.7859664 2.4328095 2.5678723 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743063e-11 -4.972e-13 2.0633319e-10 ] [ 2.168421e-11 2.3899404e-10 2.1786908e-10 ] [ 1.8936698e-10 1.316646e-11 3.53535e-12 ] [ 2.8434215e-10 3.788760000000001e-12 2.4525555e-10 ] [ 1.8361801e-10 2.5265797e-10 1.506926e-11 ] [ 2.7859664e-10 2.4328095e-10 2.5678723e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.9e-05 -9.9e-06 -1.22e-05 ] [ 6.1e-06 2.43e-05 -9.2e-06 ] [ -1.99e-05 -2.35e-05 5.9e-06 ] [ -2.57e-05 6.21e-05 -3.93e-05 ] [ 2.4e-06 -2.69e-05 2.25e-05 ] [ -1.8e-06 -2.61e-05 3.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.248488821120001e-14 -1.586154854592e-14 -1.954655477376e-14 ] [ 9.77327738688e-15 3.893289188544e-14 -1.474002491136e-14 ] [ -3.188331475392e-14 -3.76511505888e-14 9.45284206272e-15 ] [ -4.117593915456e-14 9.949516815168001e-14 -6.296554119743999e-14 ] [ 3.84522388992e-15 -4.309855109952001e-14 3.604897396800001e-14 ] [ -2.88391791744e-15 -4.181680980288e-14 5.191052251392001e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.148122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.426996691742614e-18 } }