{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5099777 -8.0438974 -14.8646908 ] [ -3.849245 -3.1794575 0.632137 ] [ 10.8888116 -4.4562826 9.9612902 ] [ -11.3812113 8.1594306 -4.952938 ] [ 7.8474066 0.616721 -3.9338292 ] [ -1.580504 -8.1046003 9.5164641 ] [ 8.5847198 15.0080863 3.6415666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.683884069480106e-08 -1.288774446057335e-08 -2.381586027139476e-08 ] [ -6.167170397541329e-09 -5.094052515296054e-09 1.012795130886858e-09 ] [ 1.744579951754815e-08 -7.139751856220767e-09 1.595974640293319e-08 ] [ -1.823471081147677e-08 1.30728490540646e-08 -7.935481533250691e-09 ] [ 1.257293149201738e-08 9.880959758971139e-10 -6.302689226386911e-09 ] [ -2.532246578743536e-09 -1.298500122856939e-08 1.524705641931984e-08 ] [ 1.375423747299715e-08 2.404560519091551e-08 5.834432917674823e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.535507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.008409641074344e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2741096 3.122158 1.1540109 ] [ 1.2899736 1.7146663 3.0178432 ] [ 3.4665112 3.5872518 4.8740859 ] [ 1.4757977 4.207883 3.4334934 ] [ 4.4972434 2.1854289 1.9309547 ] [ 3.5103183 1.2783081 4.0032827 ] [ 3.9598592 4.5724929 2.5916892 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2741096e-10 3.122158e-10 1.1540109e-10 ] [ 1.2899736e-10 1.7146663e-10 3.0178432e-10 ] [ 3.4665112e-10 3.5872518e-10 4.8740859e-10 ] [ 1.4757977e-10 4.207883e-10 3.4334934e-10 ] [ 4.497243400000001e-10 2.1854289e-10 1.9309547e-10 ] [ 3.5103183e-10 1.2783081e-10 4.0032827e-10 ] [ 3.9598592e-10 4.5724929e-10 2.5916892e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -2.4e-06 8.4e-06 ] [ 6.5e-06 -1.2e-06 8e-07 ] [ -5.6e-06 -2.38e-05 -2.05e-05 ] [ -1e-07 -1.4e-06 5.1e-06 ] [ -7.9e-06 -2.9e-06 1.17e-05 ] [ -1.7e-06 2.82e-05 -4e-06 ] [ 6.5e-06 3.5e-06 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.685006258199999e-15 -3.845223921599999e-15 1.34582837256e-14 ] [ 1.0414148121e-14 -1.9226119608e-15 1.2817413072e-15 ] [ -8.972189150399999e-15 -3.81318038892e-14 -3.2844620997e-14 ] [ -1.602176634e-16 -2.2430472876e-15 8.1711008334e-15 ] [ -1.26571954086e-14 -4.6463122386e-15 1.87454666178e-14 ] [ -2.7237002778e-15 4.51813810788e-14 -6.408706535999999e-15 ] [ 1.0414148121e-14 5.607618218999999e-15 -2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }