{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.282845 -2.4400888 -5.7989209 ] [ -2.6427726 4.4064793 -1.1544369 ] [ -0.6094446 -3.3888167 7.3237809 ] [ -5.0213648 3.7186473 -6.2792045 ] [ 0.7639215 2.2166534 0.1702195 ] [ 4.4708572 0.3747901 -0.5050205 ] [ 1.7559582 -4.8876645 6.2435823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.055344267110176e-09 -3.909453228035927e-09 -9.290895491848494e-09 ] [ -4.23418847381083e-09 7.059958114499149e-09 -1.849611811368828e-09 ] [ -9.764378897928077e-10 -5.429482888916608e-09 1.173399053384158e-08 ] [ -8.045113287068068e-09 5.957929765061044e-09 -1.006039464712215e-08 ] [ 1.223937167426467e-09 3.551470253896831e-09 2.727217033042656e-10 ] [ 7.16310288077535e-09 6.004799359272941e-10 -8.091320381247264e-10 ] [ 2.81335517514205e-09 -7.830901792214122e-09 1.000332159110069e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.5549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.812605036048192e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6317075 1.3761788 1.1339857 ] [ 0.983254 3.0162807 1.8316088 ] [ 1.694655 1.3692131 3.467176 ] [ 2.6853869 4.4797216 2.5195729 ] [ 4.1809774 1.4850916 3.1113144 ] [ 4.2529015 3.1686612 1.3636268 ] [ 3.0206176 3.159522 4.4318694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6317075e-10 1.3761788e-10 1.1339857e-10 ] [ 9.83254e-11 3.0162807e-10 1.8316088e-10 ] [ 1.694655e-10 1.3692131e-10 3.467176e-10 ] [ 2.6853869e-10 4.479721600000001e-10 2.5195729e-10 ] [ 4.1809774e-10 1.4850916e-10 3.1113144e-10 ] [ 4.2529015e-10 3.1686612e-10 1.3636268e-10 ] [ 3.0206176e-10 3.159522e-10 4.4318694e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.02e-05 -2.04e-05 1.84e-05 ] [ 3.09e-05 2.66e-05 -1.36e-05 ] [ -3.44e-05 -7.4e-06 2.54e-05 ] [ -2.93e-05 8.8e-06 -1.28e-05 ] [ 1.02e-05 -1.17e-05 -4.6e-06 ] [ 4e-06 2.93e-05 -2.94e-05 ] [ 8.5e-06 -2.52e-05 1.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.634220153216e-14 -3.268440306432e-14 2.948004982272e-14 ] [ 4.950725758272e-14 4.261789811328e-14 -2.178960204288e-14 ] [ -5.511487575552001e-14 -1.185610699392e-14 4.069528616832e-14 ] [ -4.694377498944e-14 1.409915426304e-14 -2.050786074624e-14 ] [ 1.634220153216e-14 -1.874546646336e-14 -7.370012455680001e-15 ] [ 6.4087064832e-15 4.694377498944e-14 -4.710399265152e-14 ] [ 1.36185012768e-14 -4.037485084416e-14 2.659613190528e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.526286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.609108878265435e-18 } }