{ "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" [ [ 0.0409962 0.6822116 1.595736 ] [ 0.3790876 1.575629 0.6188876 ] [ 0.3154214 2.976467 2.437822 ] [ 1.63698 0.1180447 0.631717 ] [ 1.584423 0.2949968 2.813326 ] [ 2.305753 1.803926 1.00695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.099619999999999e-12 6.822116000000001e-11 1.595736e-10 ] [ 3.790876e-11 1.575629e-10 6.188876e-11 ] [ 3.154214e-11 2.976467e-10 2.437822e-10 ] [ 1.63698e-10 1.180447e-11 6.31717e-11 ] [ 1.584423e-10 2.949968e-11 2.813326e-10 ] [ 2.305753e-10 1.803926e-10 1.00695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -69.0743776 -79.5057685 85.5847981 ] [ -7.2100945 98.6228026 -91.2334853 ] [ -1.9797144 12.2010775 4.0198963 ] [ 26.9560728 -57.4676984 -28.5076541 ] [ 13.9856439 -8.4034237 25.7415097 ] [ 37.3224698 34.5530105 4.3949354 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.10669353798813e-07 -1.273822845589132e-07 1.371219637414276e-07 ] [ -1.155184493683191e-08 1.580111499053144e-07 -1.461721583860424e-07 ] [ -3.171852153673329e-09 1.954828128012313e-08 6.440583922963053e-09 ] [ 4.318838998456295e-08 -9.207340358623918e-08 -4.567429728917429e-08 ] [ 2.240747186802463e-08 -1.346376909774182e-08 4.124244536522435e-08 ] [ 5.979718903673064e-08 5.536002605745665e-08 7.041462805819443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 67.133224 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.07559282857888e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.4707032 0.2820353 1.818128 ] [ 0.3334206 1.859809 -0.037888 ] [ 0.287612 3.1501223 2.8119678 ] [ 1.6473423 -0.2812637 0.4841002 ] [ 1.8304313 0.4313999 2.9420755 ] [ 2.6345582 2.0091723 1.0860551 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.707032e-11 2.820353e-11 1.818128e-10 ] [ 3.334206e-11 1.859809e-10 -3.7888e-12 ] [ 2.87612e-11 3.1501223e-10 2.8119678e-10 ] [ 1.6473423e-10 -2.812637e-11 4.841002e-11 ] [ 1.8304313e-10 4.313999e-11 2.9420755e-10 ] [ 2.6345582e-10 2.0091723e-10 1.0860551e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.48e-05 -3.4e-06 7e-07 ] [ 1.64e-05 -6.8e-06 -3.5e-06 ] [ -4.8e-06 1.6e-05 8.3e-06 ] [ -1.19e-05 1.9e-06 7.3e-06 ] [ 4.7e-06 6e-07 -2.57e-05 ] [ -1.93e-05 -8.3e-06 1.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.37122141832e-14 -5.4474005556e-15 1.1215236438e-15 ] [ 2.62756967976e-14 -1.08948011112e-14 -5.607618218999999e-15 ] [ -7.690447843199998e-15 2.5634826144e-14 1.32980660622e-14 ] [ -1.90659019446e-14 3.0441356046e-15 1.16958894282e-14 ] [ 7.530230179799999e-15 9.613059803999998e-16 -4.11759394938e-14 ] [ -3.09220090362e-14 -1.32980660622e-14 2.06680785786e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.999162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.563348351998071e-18 } }