{ "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" [ [ 0.19695 0.77855 2.710152 ] [ 1.11009 0.0001542 2.008775 ] [ 0.4144899 1.96716 0.2031325 ] [ 1.283205 2.99395 1.505794 ] [ 2.698669 0.3602939 2.825256 ] [ 2.163799 2.696333 2.742799 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9695e-11 7.7855e-11 2.710152e-10 ] [ 1.11009e-10 1.542e-14 2.008775e-10 ] [ 4.144899e-11 1.96716e-10 2.031325e-11 ] [ 1.283205e-10 2.99395e-10 1.505794e-10 ] [ 2.698669e-10 3.602939e-11 2.825256e-10 ] [ 2.163799e-10 2.696333e-10 2.742799e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -58.2018537 45.3947503 46.1940281 ] [ 40.6544342 -54.7099648 -51.7900321 ] [ -6.0452238 -7.7287679 -11.4723208 ] [ -21.2850584 21.1452612 -30.7898769 ] [ 14.7830447 4.2682761 7.5969225 ] [ 30.0946569 -8.3695549 40.2612791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.324965005362643e-08 7.273040823692449e-08 7.40109924521594e-08 ] [ 6.513558454373047e-08 -8.765502724952248e-08 -8.297677930472993e-08 ] [ -9.685516319660688e-09 -1.238285133898925e-08 -1.838068432351219e-08 ] [ -3.410242322180543e-08 3.38784434144668e-08 -4.933082133291635e-08 ] [ 2.368504879771754e-08 6.838532234880646e-09 1.217161171980886e-08 ] [ 4.821695609342687e-08 -1.340950529776021e-08 6.450568062897255e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.657855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.110841575956007e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.7773828 -0.2906161 3.1637492 ] [ 0.9177416 0.065144 1.6953397 ] [ 0.2866006 1.9186147 0.4962734 ] [ 1.9482808 3.4395058 0.7971373 ] [ 2.703877 0.6985706 2.9912746 ] [ 2.7880859 2.9652221 2.8521344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.773828000000001e-11 -2.906161e-11 3.1637492e-10 ] [ 9.177416000000001e-11 6.5144e-12 1.6953397e-10 ] [ 2.866006e-11 1.9186147e-10 4.962734e-11 ] [ 1.9482808e-10 3.4395058e-10 7.971373000000001e-11 ] [ 2.703877e-10 6.985706e-11 2.9912746e-10 ] [ 2.7880859e-10 2.9652221e-10 2.8521344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.49e-05 -3.17e-05 -3.08e-05 ] [ 7.6e-06 2.44e-05 -2.6e-06 ] [ -2.31e-05 -2.55e-05 3.65e-05 ] [ 1.32e-05 2.09e-05 1.25e-05 ] [ -1.13e-05 -1.9e-05 4.39e-05 ] [ 3.85e-05 3.08e-05 -5.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.989419818659999e-14 -5.078899929779999e-14 -4.93470403272e-14 ] [ 1.21765424184e-14 3.909310986959999e-14 -4.165659248399999e-15 ] [ -3.70102802454e-14 -4.0855504167e-14 5.847944714099999e-14 ] [ 2.11487315688e-14 3.34854916506e-14 2.0027207925e-14 ] [ -1.81045959642e-14 -3.0441356046e-14 7.03355542326e-14 ] [ 6.168380040899999e-14 4.93470403272e-14 -9.5329509723e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.994816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.722869709432934e-18 } }