{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.0809663 -34.2560831 9.8311207 ] [ -12.6679374 12.3600028 -37.5317099 ] [ 14.0615301 25.8422317 36.735422 ] [ 7.5633739 -6.7160568 -5.3869848 ] [ 4.1239997 2.7699054 -3.6478481 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.095801838333268e-08 -5.488429546300199e-08 1.575119174180293e-08 ] [ -2.029627313603794e-08 1.980290751918254e-08 -6.013242814042791e-08 ] [ 2.252905477889549e-08 4.140381945903664e-08 5.885663428362198e-08 ] [ 1.211786083694892e-08 -1.076030918892486e-08 -8.630901103164963e-09 ] [ 6.607375903526214e-09 4.437877673707672e-09 -5.844496942049701e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 6.2955035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.008650852386457e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5278833 0.1330187 2.7131887 ] [ 0.1740414 1.9538739 0.973165 ] [ 0.6334409 2.6771228 3.4529871 ] [ 1.9015654 0.1301667 0.5754723 ] [ 2.6214217 2.6729995 0.3592994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.278833e-11 1.330187e-11 2.7131887e-10 ] [ 1.740414e-11 1.9538739e-10 9.73165e-11 ] [ 6.334409e-11 2.6771228e-10 3.4529871e-10 ] [ 1.9015654e-10 1.301667e-11 5.754723000000001e-11 ] [ 2.6214217e-10 2.6729995e-10 3.592994e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 -2.34e-05 2.47e-05 ] [ -4.23e-05 2.18e-05 -2.54e-05 ] [ 1.33e-05 7.6e-06 3.1e-06 ] [ 2.03e-05 -1.07e-05 -9.5e-06 ] [ 1.22e-05 4.6e-06 7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.76783583488e-15 -3.749093292672001e-14 3.957376253376001e-14 ] [ -6.777207105984e-14 3.492745033344e-14 -4.069528616832e-14 ] [ 2.130894905664e-14 1.217654231808e-14 4.96674752448e-15 ] [ 3.252418540224e-14 -1.714328984256e-14 -1.52206778976e-14 ] [ 1.954655477376e-14 7.370012455680001e-15 1.137545400768e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260864814935e-18 } }