{ "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" [ [ 1.315229 1.970134 1.251156 ] [ 2.446456 1.371806 3.228222 ] [ 2.210991 3.807563 2.665918 ] [ 3.91387 2.306933 1.422662 ] [ 4.773827 3.931269 3.099477 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.315229e-10 1.970134e-10 1.251156e-10 ] [ 2.446456e-10 1.371806e-10 3.228222e-10 ] [ 2.210991e-10 3.807563e-10 2.665918e-10 ] [ 3.913870000000001e-10 2.306933e-10 1.422662e-10 ] [ 4.773827e-10 3.931269e-10 3.099477e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7354245 -1.379571 -4.2144383 ] [ 0.0780256 -4.7138087 4.8968383 ] [ -1.9589195 6.9106779 2.7760196 ] [ 6.2479993 -1.336525 -3.5704026 ] [ 0.3683191 0.5192268 0.111983 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.586986423463528e-09 -2.210316402933677e-09 -6.752274514064097e-09 ] [ 1.250107921438925e-10 -7.552354094063641e-09 7.845599840098016e-09 ] [ -3.138535024929225e-09 1.107212656525924e-08 4.447673702002568e-09 ] [ 1.001039840523476e-08 -2.14134910811472e-09 -5.720415572563534e-09 ] [ 5.901122510140973e-10 8.318930398527975e-10 1.794165445270464e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9853105 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.279387779292876e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7855188 2.7353431 0.8464945 ] [ 2.721942 1.3343701 3.6299492 ] [ 1.8974814 3.645713 3.1688518 ] [ 3.9666678 1.7093689 1.4981222 ] [ 4.2887629 3.9629099 2.5240174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7855188e-10 2.7353431e-10 8.464945e-11 ] [ 2.721942e-10 1.3343701e-10 3.6299492e-10 ] [ 1.8974814e-10 3.645713e-10 3.1688518e-10 ] [ 3.9666678e-10 1.7093689e-10 1.4981222e-10 ] [ 4.2887629e-10 3.9629099e-10 2.5240174e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 -2e-07 -7e-07 ] [ 2e-07 -6e-07 2e-07 ] [ -6e-07 6e-07 5e-07 ] [ -0.0 1e-07 1e-07 ] [ 7e-07 2e-07 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 -3.2043532416e-16 -1.12152363456e-15 ] [ 3.2043532416e-16 -9.6130597248e-16 3.2043532416e-16 ] [ -9.6130597248e-16 9.6130597248e-16 8.010883104e-16 ] [ 0.0 1.6021766208e-16 1.6021766208e-16 ] [ 1.12152363456e-15 3.2043532416e-16 -1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }