{ "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" [ [ 1.02058 1.85993 1.630827 ] [ 2.141944 2.227969 3.994537 ] [ 1.553014 3.937737 2.507181 ] [ 3.345417 1.636187 2.240659 ] [ 3.907909 3.941805 1.929299 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.02058e-10 1.85993e-10 1.630827e-10 ] [ 2.141944e-10 2.227969e-10 3.994537e-10 ] [ 1.553014e-10 3.937737e-10 2.507181e-10 ] [ 3.345417e-10 1.636187e-10 2.240659e-10 ] [ 3.907909e-10 3.941805e-10 1.929299e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4460749 8.3786163 4.030811 ] [ -1.013118 3.0240872 -2.4401381 ] [ 4.3750862 -11.4703275 -2.3098049 ] [ -0.3760415 7.3775391 -1.5672605 ] [ -7.4320016 -7.3099151 2.2863925 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.123397259105698e-09 1.34240231505138e-08 6.458071147063468e-09 ] [ -1.623193973711654e-09 4.845121811100534e-09 -3.909532215343332e-09 ] [ 7.009660823624714e-09 -1.837749055341931e-08 -3.700715409389282e-09 ] [ -6.024848997505633e-10 1.182012066505787e-08 -2.511028131803318e-09 ] [ -1.19073792092682e-08 -1.17117750732529e-08 3.663204609472464e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0285951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.65887412548944e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.007454 2.5430035 1.6758625 ] [ 2.5431008 1.0042789 4.2913105 ] [ 1.6159109 4.0153764 1.3660583 ] [ 4.0361115 2.1559294 3.1522817 ] [ 3.7662869 3.8850397 1.8169899 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.454e-13 2.543003500000001e-10 1.6758625e-10 ] [ 2.5431008e-10 1.0042789e-10 4.2913105e-10 ] [ 1.6159109e-10 4.0153764e-10 1.3660583e-10 ] [ 4.0361115e-10 2.1559294e-10 3.1522817e-10 ] [ 3.7662869e-10 3.8850397e-10 1.8169899e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0450443 0.2995067 -0.1317767 ] [ 0.3671579 -0.0338335 -0.0278874 ] [ -0.5440273 -0.0782972 -0.2154692 ] [ -0.029955 -0.3717661 0.4720321 ] [ 0.2518686 0.1843901 -0.0968988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.216892436030144e-11 4.798626325129594e-10 -2.111295479061754e-10 ] [ 5.882518035220244e-10 -5.420724269983681e-11 -4.468054029489792e-11 ] [ -8.716278211369479e-10 -1.254459433141018e-10 -3.452197147424794e-10 ] [ -4.7993200676064e-11 -5.95634953825995e-10 7.562787948871277e-10 ] [ 4.035379824336269e-10 2.954255073269741e-10 -1.55248991943575e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.36954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.661383455645043e-18 } }