{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -40.1123924 -32.7815261 -14.1630965 ] [ -29.6374003 36.7109686 33.1528129 ] [ -18.0672295 1.440443 1.3563007 ] [ 38.1138793 -0.325301 -15.8237622 ] [ 35.2045598 -36.9712759 17.0641169 ] [ 4.1718814 -18.6276263 -73.2670821 ] [ 10.3267018 50.5543176 51.6807104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.42671373076356e-08 -5.252179471156501e-08 -2.269178209043431e-08 ] [ -4.74843498619509e-08 5.881745561784291e-08 5.311666174213665e-08 ] [ -2.894689270752808e-08 2.307844098195014e-09 2.173033272314675e-09 ] [ 6.106516634245307e-08 -5.211896569228608e-10 -2.535246184993878e-08 ] [ 5.640392265711552e-08 -5.923451388812648e-08 2.733972915177817e-08 ] [ 6.684090843830374e-09 -2.984474735885921e-08 -1.173868060148542e-07 ] [ 1.654520019393328e-08 8.099694573921797e-08 8.280162594921542e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.558628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.691678692932426e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0047928 1.26793 2.8930376 ] [ 1.8866921 3.2850434 4.7159304 ] [ 1.5391122 3.7404915 2.0555849 ] [ 4.3353332 1.3474102 1.6823465 ] [ 4.2973599 2.1381831 4.1876894 ] [ 3.8862311 3.7319015 0.8747061 ] [ 3.8316838 4.6107453 3.3502201 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0047928e-10 1.26793e-10 2.8930376e-10 ] [ 1.8866921e-10 3.285043400000001e-10 4.7159304e-10 ] [ 1.5391122e-10 3.7404915e-10 2.0555849e-10 ] [ 4.3353332e-10 1.3474102e-10 1.6823465e-10 ] [ 4.2973599e-10 2.1381831e-10 4.1876894e-10 ] [ 3.8862311e-10 3.7319015e-10 8.747061000000001e-11 ] [ 3.8316838e-10 4.6107453e-10 3.3502201e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.12e-05 -5.1e-06 -3.2e-06 ] [ -3.42e-05 1.9e-05 3.45e-05 ] [ 3.49e-05 -1.23e-05 5.3e-06 ] [ -2.6e-06 -1.84e-05 3.4e-06 ] [ -1.69e-05 2.26e-05 -3e-05 ] [ -1.05e-05 2.94e-05 2.7e-06 ] [ 8.1e-06 -3.51e-05 -1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.396614436096001e-14 -8.17110076608e-15 -5.126965186560001e-15 ] [ -5.479444043136e-14 3.04413557952e-14 5.52750934176e-14 ] [ 5.591596406592e-14 -1.970677243584e-14 8.491536090240001e-15 ] [ -4.16565921408e-15 -2.948004982272e-14 5.44740051072e-15 ] [ -2.707678489152e-14 3.620919163008e-14 -4.8065298624e-14 ] [ -1.68228545184e-14 4.710399265152e-14 4.32587687616e-15 ] [ 1.297763062848e-14 -5.623639939008e-14 -2.034764308416e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.900855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.989556771893079e-18 } }