{ "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" [ [ -0.5095404 -0.2146236 0.0445669 ] [ 1.3092179 1.4149027 -0.3880164 ] [ -0.2169855 1.2722151 -1.5361517 ] [ 0.1262743 -3.0120811 1.5066036 ] [ -0.1050902 -0.5000901 0.758501 ] [ 0.4675555 1.1607937 -1.6852016 ] [ -1.0714317 -0.1211167 1.2996982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.163737229590135e-10 -3.438649170249623e-10 7.14040458298146e-11 ] [ 2.097598328194549e-09 2.266924045323512e-09 -6.216708096887976e-10 ] [ -3.476490980168069e-10 2.038313306641973e-09 -2.461186360019378e-09 ] [ 2.023137329347062e-10 -4.825885958133017e-09 2.413845084620282e-09 ] [ -1.683730629023868e-10 -8.012326731147233e-10 1.215252579065634e-09 ] [ 7.49106497198187e-10 1.859796543034405e-09 -2.699990627099414e-09 ] [ -1.716622834666898e-09 -1.940503467271878e-10 2.082346087291858e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.150074064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.587527130417844e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8462663 1.2747477 4.110912 ] [ 2.0250207 5.2557862 2.0257951 ] [ 2.9493272 3.4742871 0.8244315 ] [ 1.664174 3.2253046 2.9296 ] [ 3.678392 1.852345 2.788127 ] [ 3.838982 4.2229816 2.9547884 ] [ 3.0441648 3.1077849 4.9975408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8462663e-10 1.2747477e-10 4.110912e-10 ] [ 2.0250207e-10 5.2557862e-10 2.0257951e-10 ] [ 2.9493272e-10 3.474287100000001e-10 8.244315e-11 ] [ 1.664174e-10 3.2253046e-10 2.9296e-10 ] [ 3.678392e-10 1.852345e-10 2.788127e-10 ] [ 3.838982e-10 4.2229816e-10 2.9547884e-10 ] [ 3.0441648e-10 3.1077849e-10 4.9975408e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.99e-05 -9.45e-05 7.72e-05 ] [ 9.4e-06 -0.0001354 5.34e-05 ] [ -1.76e-05 6.9e-05 -8.5e-06 ] [ -3.65e-05 0.0002035 -0.0001514 ] [ 1e-05 -0.0001074 3.26e-05 ] [ 5.8e-06 6.63e-05 -2.89e-05 ] [ -1e-06 -1.5e-06 2.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.790508135659999e-14 -1.51405691913e-13 1.236880361448e-13 ] [ 1.50604603596e-14 -2.169347162436e-13 8.555623225559998e-14 ] [ -2.81983087584e-14 1.10550187746e-13 -1.3618501389e-14 ] [ -5.847944714099999e-14 3.26042945019e-13 -2.425695423875999e-13 ] [ 1.602176634e-14 -1.720737704916e-13 5.22309582684e-14 ] [ 9.2926244772e-15 1.062243108342e-13 -4.63029047226e-14 ] [ -1.602176634e-15 -2.403264951e-15 4.10157218304e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.68895706491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.994301032323826e-18 } }