{ "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" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.4345899 -58.7057866 -0.6525633 ] [ -19.4073577 46.6478919 -19.1170916 ] [ -38.0083722 -4.8202105 12.4824815 ] [ 4.2714581 -3.4224965 2.8229592 ] [ 4.7347039 4.0924706 -1.9384973 ] [ 38.974978 16.2081311 6.4027115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.511587936461581e-08 -9.405703879619392e-08 -1.045521662852097e-09 ] [ -3.109401477844286e-08 7.473816181178569e-08 -3.062895721921207e-08 ] [ -6.089612533350466e-08 -7.722828570434678e-09 1.999914002886851e-08 ] [ 6.843630304546789e-09 -5.483443877069827e-09 4.522879231712272e-09 ] [ 7.585831894990583e-09 6.556860716631349e-09 -3.105815053543924e-09 ] [ 6.244479854779435e-08 2.596828871528139e-08 1.02582746750273e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.620013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.662819626599207e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4601147 -0.145109 1.5487549 ] [ 0.3999745 1.9911093 0.1731092 ] [ -0.1375874 2.0630479 2.656111 ] [ 2.8512755 0.248236 2.0550579 ] [ 2.7911452 2.3844363 0.6793777 ] [ 2.2535811 2.4564129 3.162381 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.601147e-11 -1.45109e-11 1.5487549e-10 ] [ 3.999745000000001e-11 1.9911093e-10 1.731092e-11 ] [ -1.375874e-11 2.0630479e-10 2.656111e-10 ] [ 2.8512755e-10 2.48236e-11 2.0550579e-10 ] [ 2.7911452e-10 2.3844363e-10 6.793777e-11 ] [ 2.2535811e-10 2.4564129e-10 3.162381e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.01e-05 -9.3e-06 1.71e-05 ] [ -2.39e-05 -2.13e-05 -2.89e-05 ] [ 1.49e-05 3.4e-05 -4.5e-06 ] [ 3.03e-05 2.62e-05 -2.96e-05 ] [ 6.4e-06 1e-07 5.78e-05 ] [ -7.5e-06 -2.98e-05 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.220375007808e-14 -1.490024257344e-14 2.739722021568e-14 ] [ -3.829202123712e-14 -3.412636202304e-14 -4.630290434112001e-14 ] [ 2.387243164992e-14 5.44740051072e-14 -7.2097947936e-15 ] [ 4.854595161024e-14 4.197702746496e-14 -4.742442797568e-14 ] [ 1.025393037312e-14 1.6021766208e-16 9.260580868224001e-14 ] [ -1.2016324656e-14 -4.774486329984001e-14 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.599118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.659471878550046e-18 } }