{ "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" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -44.3858528 -17.339321 -6.0750919 ] [ -1.9785129 -3.4979788 1.7348207 ] [ 1.3821816 8.6464246 -8.6650284 ] [ -11.4490297 -5.6612199 20.8274061 ] [ 42.0247206 8.0925988 6.8002569 ] [ 14.4064932 9.7594964 -14.6223634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.111397565043023e-08 -2.778065472674648e-08 -9.733370211391452e-09 ] [ -3.169927112331208e-09 -5.604379853414039e-09 2.779489166819891e-09 ] [ 2.214499045219938e-09 1.385309934762999e-08 -1.388290592104803e-08 ] [ -1.834336771618484e-08 -9.070274168987713e-09 3.336918312532731e-08 ] [ 6.733102484097215e-08 1.296577259887413e-08 1.089521262061388e-08 ] [ 2.308174659275418e-08 1.563643696286177e-08 -2.34276087803216e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.5773112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.731484369965994e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6561621 0.0443025 0.590966 ] [ 0.222368 -0.0470263 2.8647556 ] [ 1.0856834 2.4398487 0.7034074 ] [ 0.4945284 2.2185436 2.9549742 ] [ 2.8913441 0.7483804 0.1573107 ] [ 3.384001 3.0145369 0.6027084 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.561621e-11 4.43025e-12 5.90966e-11 ] [ 2.22368e-11 -4.70263e-12 2.8647556e-10 ] [ 1.0856834e-10 2.439848700000001e-10 7.034074e-11 ] [ 4.945284e-11 2.2185436e-10 2.9549742e-10 ] [ 2.8913441e-10 7.483804e-11 1.573107e-11 ] [ 3.384001e-10 3.0145369e-10 6.027084000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.8e-06 -3.72e-05 -1e-05 ] [ -2.25e-05 1.74e-05 7.4e-06 ] [ -1.79e-05 7e-06 -2.15e-05 ] [ 4.13e-05 -2.2e-06 3.5e-06 ] [ -2.5e-06 1.62e-05 -5.1e-06 ] [ -6.2e-06 -1.2e-06 2.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.249697764224e-14 -5.960097029376001e-14 -1.6021766208e-14 ] [ -3.604897396800001e-14 2.787787320192e-14 1.185610699392e-14 ] [ -2.867896151232001e-14 1.12152363456e-14 -3.44467973472e-14 ] [ 6.616989443904001e-14 -3.52478856576e-15 5.6076181728e-15 ] [ -4.005441552e-15 2.595526125696e-14 -8.17110076608e-15 ] [ -9.93349504896e-15 -1.92261194496e-15 4.117593915456e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.509299 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.805298950439682e-18 } }