{ "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" [ [ 0.7742052 0.6824645 0.5764372 ] [ 0.6127639 2.971614 0.4436307 ] [ 0.405499 2.567939 2.589337 ] [ 2.552542 1.167694 2.901906 ] [ 2.397264 1.657583 0.5767519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.742052e-11 6.824645e-11 5.764372e-11 ] [ 6.127639e-11 2.971614e-10 4.436307e-11 ] [ 4.05499e-11 2.567939e-10 2.589337e-10 ] [ 2.552542e-10 1.167694e-10 2.901906e-10 ] [ 2.397264e-10 1.657583e-10 5.767519e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.5195235 -6.4482893 0.0971652 ] [ -1.7294823 2.4806005 -1.5313612 ] [ 0.7320329 -1.0388654 1.7718668 ] [ -1.1449414 0.8299839 -0.0098359 ] [ 11.6619142 4.1765703 -0.3278348 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.525195799285619e-08 -1.03312983606148e-08 1.556758117953561e-10 ] [ -2.770936107147412e-09 3.97436012664479e-09 -2.453511112640233e-09 ] [ 1.172845998036425e-09 -1.66444585603804e-09 2.838843562131709e-09 ] [ -1.834398343266021e-09 1.329780800220405e-09 -1.575884902452672e-11 ] [ 1.868444628501554e-08 6.691603289787643e-09 -5.252492520446438e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -2.444767399234948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.916949170348254e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.695283 0.7109663 0.9986604 ] [ 0.7107857 2.9950864 0.3824243 ] [ 0.2969201 2.3881919 2.6189796 ] [ 2.3127037 1.1730656 2.6622727 ] [ 2.7265815 1.7799843 0.4257259 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.95283e-11 7.109663000000001e-11 9.986604e-11 ] [ 7.107857e-11 2.9950864e-10 3.824243e-11 ] [ 2.969201e-11 2.3881919e-10 2.6189796e-10 ] [ 2.3127037e-10 1.1730656e-10 2.6622727e-10 ] [ 2.7265815e-10 1.7799843e-10 4.257259e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 4.1e-06 -5.9e-06 ] [ -3.9e-06 2.53e-05 -4.3e-06 ] [ -1e-05 -1.44e-05 4.7e-06 ] [ 8.5e-06 1.22e-05 1.16e-05 ] [ -7e-06 -2.72e-05 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 6.568924145279999e-15 -9.45284206272e-15 ] [ -6.24848882112e-15 4.053506850624e-14 -6.889359469440001e-15 ] [ -1.6021766208e-14 -2.307134333952e-14 7.53023011776e-15 ] [ 1.36185012768e-14 1.954655477376e-14 1.858524880128e-14 ] [ -1.12152363456e-14 -4.357920408576e-14 -9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }