{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4814313 2.6537709 -3.8009527 ] [ 1.6405148 -1.6763569 1.8339058 ] [ -0.9483154 1.954553 4.3262158 ] [ 0.297752 -5.2852646 -4.1613593 ] [ 3.4016039 0.337004 -2.8849479 ] [ 0.074639 -0.0298003 1.9294417 ] [ -1.984763 2.0460938 2.7576967 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.975691247736244e-09 4.251809727969151e-09 -6.089797602879211e-09 ] [ 2.628394480291183e-09 -2.685819855424675e-09 2.938241021717077e-09 ] [ -1.519368775542364e-09 3.131539146514602e-09 6.931361868401616e-09 ] [ 4.77051297126768e-10 -8.467927446627354e-09 -6.667232636138596e-09 ] [ 5.449970286703272e-09 5.39939934364536e-10 -4.622196115687368e-09 ] [ 1.19584861785126e-10 -4.774534434619019e-11 3.091306408405237e-09 ] [ -3.179940902627741e-09 3.278203677332269e-09 4.418317216398907e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.520152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.326384825652837e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4011001 3.5636139 3.0549171 ] [ 5.0299636 2.4505805 0.8957573 ] [ 3.9704966 0.3720425 1.3912362 ] [ 3.1122838 1.1965318 3.4371164 ] [ 4.8353304 3.0176239 3.3592139 ] [ 5.7060669 4.7357166 1.7576554 ] [ 3.3641636 4.3265111 0.9703907 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4011001e-10 3.5636139e-10 3.0549171e-10 ] [ 5.0299636e-10 2.4505805e-10 8.957573e-11 ] [ 3.9704966e-10 3.720425e-11 1.3912362e-10 ] [ 3.1122838e-10 1.1965318e-10 3.4371164e-10 ] [ 4.8353304e-10 3.0176239e-10 3.3592139e-10 ] [ 5.7060669e-10 4.7357166e-10 1.7576554e-10 ] [ 3.3641636e-10 4.3265111e-10 9.703907000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 5e-07 3.1e-06 ] [ 7.2e-06 -1.9e-06 -6.68e-05 ] [ 2.16e-05 -3.95e-05 3.92e-05 ] [ -6.9e-06 1.28e-05 1.15e-05 ] [ -4.69e-05 -3.25e-05 -1.85e-05 ] [ 4.15e-05 3.19e-05 1.94e-05 ] [ -2.27e-05 2.86e-05 1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.773277467399999e-15 8.010883169999999e-16 4.9667475654e-15 ] [ 1.15356717648e-14 -3.0441356046e-15 -1.070253991512e-13 ] [ 3.46070152944e-14 -6.328597704299999e-14 6.280532405279998e-14 ] [ -1.10550187746e-14 2.05078609152e-14 1.8425031291e-14 ] [ -7.514208413459999e-14 -5.207074060499999e-14 -2.9640267729e-14 ] [ 6.649033031099999e-14 5.11094346246e-14 3.10822266996e-14 ] [ -3.636940959179999e-14 4.58222517324e-14 1.9226119608e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.05577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.732635616887818e-18 } }