{ "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" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0746774 -1.3394623 -1.5222557 ] [ -1.856573 0.1996186 -0.9445898 ] [ 1.3451696 0.1412517 2.6716378 ] [ -1.438761 1.7991189 1.4028094 ] [ 0.8280477 -0.5455535 -0.5211988 ] [ 1.0474393 -0.2549733 -1.086403 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.196463843821299e-10 -2.146055181502996e-09 -2.438922493419539e-09 ] [ -2.974557855408519e-09 3.198242539968269e-10 -1.513399693806148e-09 ] [ 2.155199284130888e-09 2.263101713882554e-10 4.280435622405547e-09 ] [ -2.305149237118829e-09 2.882506239619413e-09 2.247548424118475e-09 ] [ 1.326678665847212e-09 -8.740730630956129e-10 -8.350525321490149e-10 ] [ 1.678182758167117e-09 -4.085122601882247e-10 -1.740609487366982e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.39099 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.664820124496659e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1434045 0.1686674 2.971924 ] [ 0.5915731 1.7847008 2.6193015 ] [ 3.0115298 1.6637 4.7185821 ] [ 1.919653 3.3357178 3.6010723 ] [ 4.2402797 1.3034691 2.6209895 ] [ 3.6245665 3.4260899 2.1116247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1434045e-10 1.686674e-11 2.971924e-10 ] [ 5.915731e-11 1.7847008e-10 2.6193015e-10 ] [ 3.0115298e-10 1.6637e-10 4.718582100000001e-10 ] [ 1.919653e-10 3.3357178e-10 3.6010723e-10 ] [ 4.2402797e-10 1.3034691e-10 2.6209895e-10 ] [ 3.6245665e-10 3.4260899e-10 2.1116247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.08e-05 5.35e-05 1.27e-05 ] [ -2.74e-05 -3.91e-05 1.5e-06 ] [ -5.4e-06 1.5e-05 -3.92e-05 ] [ 3.18e-05 -7.4e-06 -1.73e-05 ] [ -6e-06 -2.18e-05 -7.7e-06 ] [ -3.7e-06 -3e-07 5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.730350750464e-14 8.57164492128e-14 2.034764308416e-14 ] [ -4.389963940992e-14 -6.264510587328001e-14 2.4032649312e-15 ] [ -8.65175375232e-15 2.4032649312e-14 -6.280532353535999e-14 ] [ 5.094921654144e-14 -1.185610699392e-14 -2.771765553984e-14 ] [ -9.6130597248e-15 -3.492745033344e-14 -1.233675998016e-14 ] [ -5.928053496960001e-15 -4.8065298624e-16 8.010883104e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.421688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.829956148367191e-18 } }