{ "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" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.291603 -8.1663852 -20.2239081 ] [ -1.7525575 -8.3981092 17.816052 ] [ -4.9173131 14.4857964 7.7162085 ] [ 12.4186258 -8.9887229 0.5739563 ] [ 2.8377555 8.5019617 -11.2180491 ] [ 1.7050923 2.5654592 5.3357404 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.64889658530043e-08 -1.308399155168342e-08 -3.240227300598333e-08 ] [ -2.807906676241455e-09 -1.345525433002043e-08 2.854446222452896e-08 ] [ -7.878404150882105e-09 2.320880451696131e-08 1.236272896177219e-08 ] [ 1.989683208314955e-08 -1.440152179988072e-08 9.19579372797094e-10 ] [ 4.546585555104987e-09 1.362164437890292e-08 -1.797329614708473e-08 ] [ 2.731859041873318e-09 4.110318785720332e-09 8.548798593969812e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0876415 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.742593797468711e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1499385 1.3419238 0.4175735 ] [ 0.8484062 0.0300205 2.4827385 ] [ 0.2922523 2.505346 2.6759028 ] [ 3.174952 0.5865527 2.0493906 ] [ 2.4764891 1.8984338 -0.0157911 ] [ 2.6187951 3.0618793 2.2425269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.499385e-11 1.3419238e-10 4.175735e-11 ] [ 8.484062e-11 3.00205e-12 2.4827385e-10 ] [ 2.922523e-11 2.505346e-10 2.6759028e-10 ] [ 3.174952e-10 5.865527e-11 2.0493906e-10 ] [ 2.4764891e-10 1.8984338e-10 -1.57911e-12 ] [ 2.6187951e-10 3.0618793e-10 2.2425269e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.7e-06 -1.7e-05 3.8e-06 ] [ -1.35e-05 7.9e-06 2.2e-06 ] [ 7.5e-06 -1.7e-06 -2.48e-05 ] [ 9.7e-06 9.3e-06 -1.17e-05 ] [ -1.25e-05 1.19e-05 2.23e-05 ] [ 1.35e-05 -1.04e-05 8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.530230179799999e-15 -2.723700277799999e-14 6.088271209199999e-15 ] [ -2.162938455899999e-14 1.26571954086e-14 3.5247885948e-15 ] [ 1.2016324755e-14 -2.7237002778e-15 -3.97339805232e-14 ] [ 1.55411133498e-14 1.49002426962e-14 -1.87454666178e-14 ] [ -2.0027207925e-14 1.90659019446e-14 3.572853893819999e-14 ] [ 2.162938455899999e-14 -1.66626369936e-14 1.31378483988e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.331035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.296084941803619e-18 } }