{ "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" [ [ 2.579635 2.597673 1.417691 ] [ 1.984364 4.733105 2.421677 ] [ 4.865502 3.038852 1.5778 ] [ 3.649468 2.375686 3.336275 ] [ 3.826511 5.11075 1.269058 ] [ 4.176974 4.617806 3.508105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.579635e-10 2.597673e-10 1.417691e-10 ] [ 1.984364e-10 4.733105e-10 2.421677e-10 ] [ 4.865502e-10 3.038852e-10 1.5778e-10 ] [ 3.649468e-10 2.375686e-10 3.336275e-10 ] [ 3.826511e-10 5.11075e-10 1.269058e-10 ] [ 4.176974000000001e-10 4.617806e-10 3.508105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9662273 2.4120559 -1.7759 ] [ -0.6746145 -2.2334865 1.9471505 ] [ 2.031587 0.9315448 -0.7326469 ] [ -1.2960449 -0.1894091 3.1230937 ] [ 0.8138428 -0.5358823 -2.328764 ] [ 0.0914569 -0.3848227 -0.2329333 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.548066790438708e-09 3.864539571042703e-09 -2.84530546087872e-09 ] [ -1.080851579952682e-09 -3.578439853172419e-09 3.119679008279031e-09 ] [ 3.25496119452121e-09 1.492499299787812e-09 -1.173829734481596e-09 ] [ -2.076492838287074e-09 -3.034668317867692e-10 5.003747710707769e-09 ] [ 1.30391990716641e-09 -8.585780925605319e-10 -3.731091236160692e-09 ] [ 1.465301069908435e-10 -6.165539330931321e-10 -3.732002874657927e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.749236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.484611743946171e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7236336 2.8674919 1.1852098 ] [ 1.9885619 4.4631265 2.7925392 ] [ 5.0389216 3.0281636 1.7176625 ] [ 3.3282214 2.455363 3.4511559 ] [ 3.6992631 5.0359283 1.0590473 ] [ 4.3038524 4.6237988 3.3249912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7236336e-10 2.8674919e-10 1.1852098e-10 ] [ 1.9885619e-10 4.463126500000001e-10 2.7925392e-10 ] [ 5.0389216e-10 3.0281636e-10 1.7176625e-10 ] [ 3.3282214e-10 2.455363e-10 3.4511559e-10 ] [ 3.6992631e-10 5.0359283e-10 1.0590473e-10 ] [ 4.3038524e-10 4.6237988e-10 3.3249912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 -1.3e-06 1e-06 ] [ 6.5e-06 1.33e-05 -1.03e-05 ] [ 1.9e-05 -1.81e-05 1.06e-05 ] [ 1.4e-05 -9e-06 -5.4e-06 ] [ -1.82e-05 1.47e-05 -1.11e-05 ] [ -5.8e-06 4e-07 1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.467351996032e-14 -2.08282960704e-15 1.6021766208e-15 ] [ 1.04141480352e-14 2.130894905664e-14 -1.650241919424e-14 ] [ 3.04413557952e-14 -2.899939683648e-14 1.698307218048e-14 ] [ 2.24304726912e-14 -1.44195895872e-14 -8.65175375232e-15 ] [ -2.915961449856e-14 2.355199632576e-14 -1.778416049088e-14 ] [ -9.292624400640001e-15 6.408706483200001e-16 2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.062777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.855281874092396e-18 } }