{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5096278 -19.8077086 -21.4281399 ] [ -33.429264 10.4046824 10.0273392 ] [ -11.4444686 -18.1019937 25.6282404 ] [ 2.7611621 10.446138 -20.9652738 ] [ 6.1071297 5.2118209 13.8159088 ] [ 31.7480165 -18.8986758 -4.1958346 ] [ 10.7670521 30.7457368 -2.8822401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.042957347126974e-08 -3.17354476305391e-08 -3.433166477501165e-08 ] [ -5.35595852313511e-08 1.667013888812923e-08 1.606556843507137e-08 ] [ -1.833606002839971e-08 -2.900259109600889e-08 4.106096760112204e-08 ] [ 4.423869362859031e-09 1.673655808125047e-08 -3.359007153103077e-08 ] [ 9.784700425533319e-09 8.350257597776815e-09 2.213552607446498e-08 ] [ 5.086592979307265e-08 -3.027901653083874e-08 -6.722468100863721e-09 ] [ 1.725071914955555e-08 4.926010069023021e-08 -4.617857703752255e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.558922 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.653031769405078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6399905 1.753125 1.6121733 ] [ 0.96758 1.6928438 3.2834049 ] [ 2.0740593 2.4649098 5.2291649 ] [ 2.9852186 4.055997 1.1983859 ] [ 4.2812493 2.8983123 4.4983435 ] [ 4.5695961 1.2122581 2.8664305 ] [ 4.0917241 4.828037 3.144143 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6399905e-10 1.753125e-10 1.6121733e-10 ] [ 9.6758e-11 1.6928438e-10 3.2834049e-10 ] [ 2.0740593e-10 2.4649098e-10 5.2291649e-10 ] [ 2.9852186e-10 4.055997e-10 1.1983859e-10 ] [ 4.2812493e-10 2.8983123e-10 4.4983435e-10 ] [ 4.5695961e-10 1.2122581e-10 2.8664305e-10 ] [ 4.091724100000001e-10 4.828037000000001e-10 3.144143e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.5e-06 -7.8e-06 -2.7e-05 ] [ -1.64e-05 -1.3e-06 4.8e-06 ] [ 1.05e-05 -1.2e-06 3.16e-05 ] [ 2.82e-05 -3.04e-05 2.1e-05 ] [ -3.63e-05 9.6e-06 -4.3e-06 ] [ 1.28e-05 -4.1e-06 -2.69e-05 ] [ 8.6e-06 3.53e-05 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2016324656e-14 -1.249697764224e-14 -4.32587687616e-14 ] [ -2.627569658112e-14 -2.08282960704e-15 7.69044777984e-15 ] [ 1.68228545184e-14 -1.92261194496e-15 5.062878121728e-14 ] [ 4.518138070656001e-14 -4.870616927232e-14 3.36457090368e-14 ] [ -5.815901133504e-14 1.538089555968e-14 -6.889359469440001e-15 ] [ 2.050786074624e-14 -6.568924145279999e-15 -4.309855109952001e-14 ] [ 1.377871893888e-14 5.655683471424e-14 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }