{ "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" [ [ -2.6362643 -1.8382102 2.5272754 ] [ -1.0526092 4.0510956 -2.5756995 ] [ -5.0198685 -0.0154692 -3.7114415 ] [ -0.8902397 5.076995 4.1026211 ] [ 3.1050893 -5.3261213 -4.9172093 ] [ 1.6218146 0.2579661 -0.1735334 ] [ 4.8720778 -2.206256 4.7479872 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.223761027709677e-09 -2.945137406556092e-09 4.049141560202968e-09 ] [ -1.686465851078992e-09 6.490570658945749e-09 -4.126725521106249e-09 ] [ -8.042715950190365e-09 -2.478439058247936e-11 -5.946384800766883e-09 ] [ -1.426321234248006e-09 8.134242692918497e-09 6.57312361042078e-09 ] [ 4.974901481956237e-09 -8.533387026404902e-09 -7.878237780040333e-09 ] [ 2.598433435392104e-09 4.133072543789548e-10 -2.780311564079348e-10 ] [ 7.805929145878699e-09 -3.534811782699725e-09 7.607114087697654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.382041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.144039322878705e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5400576 4.0213988 2.9283915 ] [ 3.309849 6.4361306 2.0478955 ] [ 1.3667908 2.4714808 1.27843 ] [ 2.5166136 5.0158418 3.7654025 ] [ 3.7100911 2.7783584 1.3835108 ] [ 4.1365869 4.8862035 0.3979442 ] [ 4.0544101 3.2211191 3.6809784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.400576e-11 4.0213988e-10 2.9283915e-10 ] [ 3.309849e-10 6.436130600000001e-10 2.0478955e-10 ] [ 1.3667908e-10 2.4714808e-10 1.27843e-10 ] [ 2.5166136e-10 5.015841799999999e-10 3.7654025e-10 ] [ 3.7100911e-10 2.7783584e-10 1.3835108e-10 ] [ 4.136586900000001e-10 4.8862035e-10 3.979442e-11 ] [ 4.054410100000001e-10 3.2211191e-10 3.6809784e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.04e-05 6e-07 -1.79e-05 ] [ 1.05e-05 -1.74e-05 3.3e-06 ] [ -1.65e-05 -4e-07 2.4e-06 ] [ -5.4e-06 -2.32e-05 7e-07 ] [ -2.19e-05 -3.91e-05 -2.6e-06 ] [ 1.1e-06 3.74e-05 -1.9e-06 ] [ 1.18e-05 4.21e-05 1.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.268440306432e-14 9.6130597248e-16 -2.867896151232001e-14 ] [ 1.68228545184e-14 -2.787787320192e-14 5.28718284864e-15 ] [ -2.64359142432e-14 -6.408706483200001e-16 3.84522388992e-15 ] [ -8.65175375232e-15 -3.717049760256e-14 1.12152363456e-15 ] [ -3.508766799552e-14 -6.264510587328001e-14 -4.16565921408e-15 ] [ 1.76239428288e-15 5.992140561792e-14 -3.04413557952e-15 ] [ 1.890568412544e-14 6.745163573568001e-14 2.531439060864e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }