{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9683049 -9.8140874 -3.3327524 ] [ -10.7117545 2.1510282 2.8464125 ] [ -11.9542926 -10.4847177 0.6130852 ] [ 5.6644666 -1.7571738 0.7433458 ] [ 5.7729908 -4.6921518 1.9113645 ] [ 16.5821406 8.417243 -4.3487473 ] [ 5.614754 16.1798596 1.5672917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.757316182536771e-08 -1.572390151631381e-08 -5.339658022187421e-09 ] [ -1.716212276904435e-08 3.446327121115078e-09 4.560455598225524e-09 ] [ -1.915288827971911e-08 -1.679836971302622e-08 9.822707820912167e-10 ] [ 9.075476030593424e-09 -2.815302804236989e-09 1.190971271742037e-09 ] [ 9.249350968056965e-09 -7.517655977141042e-09 3.062343540957093e-09 ] [ 2.656751821102274e-08 1.348591005730006e-08 -6.967461311230588e-09 ] [ 8.995827664458034e-09 2.592299299252058e-08 2.511078140402138e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.348955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.138738378931747e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4793443 2.6329901 0.3966195 ] [ 1.7711445 4.9326123 1.2802291 ] [ 2.0107867 2.9868361 2.9316375 ] [ 4.9203005 2.5299459 0.9393951 ] [ 4.4787977 2.8637503 3.3282325 ] [ 4.177439 4.8581899 0.3998796 ] [ 3.7087823 5.2122995 2.9348455 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4793443e-10 2.6329901e-10 3.966195e-11 ] [ 1.7711445e-10 4.9326123e-10 1.2802291e-10 ] [ 2.0107867e-10 2.9868361e-10 2.9316375e-10 ] [ 4.9203005e-10 2.5299459e-10 9.393951e-11 ] [ 4.478797700000001e-10 2.8637503e-10 3.3282325e-10 ] [ 4.177439e-10 4.8581899e-10 3.998796e-11 ] [ 3.7087823e-10 5.212299500000001e-10 2.9348455e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 -4.27e-05 2.64e-05 ] [ 6.21e-05 -8.7e-06 -8.6e-06 ] [ -1.8e-05 2.37e-05 2.04e-05 ] [ 2.29e-05 4.93e-05 -2.79e-05 ] [ -4.06e-05 -4.08e-05 3.09e-05 ] [ -3.86e-05 4.71e-05 6.4e-06 ] [ 1.58e-05 -2.79e-05 -4.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.767835882399999e-15 -6.84129422718e-14 4.22974631376e-14 ] [ 9.949516897139999e-14 -1.39389367158e-14 -1.37787190524e-14 ] [ -2.8839179412e-14 3.79715862258e-14 3.26844033336e-14 ] [ 3.66898449186e-14 7.89873080562e-14 -4.470072808859999e-14 ] [ -6.504837134039999e-14 -6.53688066672e-14 4.950725799059999e-14 ] [ -6.18440180724e-14 7.546251946139999e-14 1.02539304576e-14 ] [ 2.53143908172e-14 -4.470072808859999e-14 -7.62636077784e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.53667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450554944816878e-18 } }