{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1205895 -5.3257648 1.7273474 ] [ -0.9844562 6.2887153 -1.3786289 ] [ 1.2469063 -1.9869421 -8.5109527 ] [ -16.2234976 -0.2382029 0.8579595 ] [ 7.8628659 -10.386698 -4.7419961 ] [ 10.0673306 9.1901064 1.3869297 ] [ 1.1514405 2.4587861 10.6593411 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.999735540013961e-09 -8.532815850439588e-09 2.767515620279666e-09 ] [ -1.577272707841609e-09 1.007563262852726e-08 -2.208806992339221e-09 ] [ 1.997764122188231e-09 -3.183432179503256e-09 -1.363604943667464e-08 ] [ -2.599290856232491e-08 -3.816431173867603e-10 1.374602652493257e-09 ] [ 1.259769991746555e-08 -1.664132470291012e-08 -7.597515287344779e-09 ] [ 1.612964172118444e-08 1.472417361674445e-08 2.222106340033158e-09 ] [ 1.844811049342262e-09 3.939409604968012e-09 1.707814710355256e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.083687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.615584756286489e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0959997 1.7181315 3.9629583 ] [ 2.3981414 5.0524292 2.1865996 ] [ 2.4999738 2.9336665 0.6711867 ] [ 0.7302474 3.1170218 2.5765835 ] [ 3.933978 2.0425202 2.3817469 ] [ 4.2483746 4.2157228 3.4596875 ] [ 3.139612 3.3337449 5.3924323 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0959997e-10 1.7181315e-10 3.9629583e-10 ] [ 2.3981414e-10 5.0524292e-10 2.1865996e-10 ] [ 2.4999738e-10 2.9336665e-10 6.711867e-11 ] [ 7.302474e-11 3.1170218e-10 2.5765835e-10 ] [ 3.933978e-10 2.0425202e-10 2.3817469e-10 ] [ 4.2483746e-10 4.2157228e-10 3.4596875e-10 ] [ 3.139612e-10 3.3337449e-10 5.3924323e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.97e-05 -4.86e-05 -6.6e-06 ] [ -1.5e-05 1.03e-05 -0.0 ] [ 5.6e-06 -2.51e-05 2.42e-05 ] [ 1.56e-05 1e-06 2.1e-06 ] [ -2.66e-05 8.3e-06 -3e-05 ] [ 5.44e-05 3.21e-05 2.91e-05 ] [ -4.4e-06 2.19e-05 -1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.758464563776e-14 -7.786578377088e-14 -1.057436569728e-14 ] [ -2.4032649312e-14 1.650241919424e-14 0.0 ] [ 8.972189076479999e-15 -4.021463318208e-14 3.877267422336e-14 ] [ 2.499395528448e-14 1.6021766208e-15 3.36457090368e-15 ] [ -4.261789811328e-14 1.329806595264e-14 -4.8065298624e-14 ] [ 8.715840817152e-14 5.142986952768e-14 4.662333966527999e-14 ] [ -7.04957713152e-15 3.508766799552e-14 -3.012092047104e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }