{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1302192 0.508307 -4.790807 ] [ -1.8920631 -1.2979026 8.7589434 ] [ 7.0740209 -2.5322269 -1.8219164 ] [ 1.9161564 3.6589214 -0.6694344 ] [ -2.967895 -0.337099 -1.4767856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.617340695538172e-09 8.143975982986378e-10 -7.675719033403638e-09 ] [ -3.031419288873605e-09 -2.079469218927848e-09 1.403337445400851e-08 ] [ 1.133383099440765e-08 -4.057074771166254e-09 -2.919031885181398e-09 ] [ 3.070021011169557e-09 5.862238372722567e-09 -1.07255215367581e-09 ] [ -4.75509202116543e-09 -5.400921411447659e-10 -2.36607138174767e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.597859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.018399532822661e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9716 1.9014938 0.0989787 ] [ 1.0848061 1.5283257 2.7087497 ] [ 3.1199702 1.1378179 1.2306147 ] [ 2.1345012 3.5769099 1.6221331 ] [ 4.4680886 3.0970458 1.4518316 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.716e-11 1.9014938e-10 9.897870000000001e-12 ] [ 1.0848061e-10 1.5283257e-10 2.7087497e-10 ] [ 3.1199702e-10 1.1378179e-10 1.2306147e-10 ] [ 2.1345012e-10 3.5769099e-10 1.6221331e-10 ] [ 4.4680886e-10 3.0970458e-10 1.4518316e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001646 -2.4e-06 -3.3e-06 ] [ 5.6e-06 2.07e-05 9.67e-05 ] [ 0.0001946 -3.12e-05 -0.000134 ] [ -2.94e-05 8.05e-05 -0.0001356 ] [ -6.3e-06 -6.76e-05 0.0001763 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.637182739564e-13 -3.845223921599999e-15 -5.2871828922e-15 ] [ 8.972189150399999e-15 3.316505632379999e-14 1.549304805078e-13 ] [ 3.117835729763999e-13 -4.998791098079999e-14 -2.14691668956e-13 ] [ -4.710399303959999e-14 1.28975219037e-13 -2.172551515703999e-13 ] [ -1.00937127942e-14 -1.083071404584e-13 2.824637405742e-13 ] ] } "relaxed-potential-energy" { "source-value" -15.499658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483318988259117e-18 } }