{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3479845 1.574623 0.916639 ] [ 1.0353426 -1.1181125 -1.5886362 ] [ -0.0256537 -1.4880627 -1.0886174 ] [ -0.0759601 0.1767 -0.2127749 ] [ -0.3576977 -0.8155642 0.7204495 ] [ 0.5599152 -0.4552224 0.3217804 ] [ 1.2120381 2.1256388 0.9311596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.761885902894173e-09 2.522824177958982e-09 1.468617587613126e-09 ] [ 1.658801721904808e-09 -1.791413721683325e-09 -2.54527579956655e-09 ] [ -4.110175871564579e-11 -2.384139287866952e-09 -1.744157361645831e-09 ] [ -1.217014973363034e-10 2.831046112277999e-10 -3.409029730816866e-10 ] [ -5.730948969755417e-10 -1.306677904766903e-09 1.154287354876983e-09 ] [ 8.970830504614366e-10 -7.293466925534015e-10 5.155490381591736e-10 ] [ 1.941899123337755e-09 3.405648817683799e-09 1.491882153644786e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.844103 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.17937581492893e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5745036 3.6542024 3.3360256 ] [ 5.4153682 2.4043449 1.7737316 ] [ 3.1279965 1.6333008 1.9909333 ] [ 5.6063859 2.4090174 4.1498637 ] [ 3.3778718 1.6578141 4.3614763 ] [ 3.5961043 3.8281146 1.1905593 ] [ 4.8618757 4.4252439 3.1188197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5745036e-10 3.6542024e-10 3.3360256e-10 ] [ 5.4153682e-10 2.4043449e-10 1.7737316e-10 ] [ 3.1279965e-10 1.6333008e-10 1.9909333e-10 ] [ 5.606385900000001e-10 2.4090174e-10 4.1498637e-10 ] [ 3.3778718e-10 1.6578141e-10 4.3614763e-10 ] [ 3.5961043e-10 3.8281146e-10 1.1905593e-10 ] [ 4.8618757e-10 4.4252439e-10 3.1188197e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 1.1e-06 -3.7e-06 ] [ -1.3e-06 -1.08e-05 -7.2e-06 ] [ 3.9e-06 -5.2e-06 -3.7e-06 ] [ 9.7e-06 1.11e-05 -1.12e-05 ] [ -1.9e-05 2.7e-06 -5.8e-06 ] [ -7e-07 -1e-05 1.91e-05 ] [ -2.5e-06 1.11e-05 1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.57013310132e-14 1.7623942974e-15 -5.9280535458e-15 ] [ -2.0828296242e-15 -1.73035076472e-14 -1.15356717648e-14 ] [ 6.248488872599999e-15 -8.331318496799998e-15 -5.9280535458e-15 ] [ 1.55411133498e-14 1.77841606374e-14 -1.79443783008e-14 ] [ -3.0441356046e-14 4.3258769118e-15 -9.2926244772e-15 ] [ -1.1215236438e-15 -1.602176634e-14 3.06015737094e-14 ] [ -4.005441585e-15 1.77841606374e-14 2.0027207925e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }