{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.45188 2.434317 1.979428 ] [ 1.55189 4.089359 0.857215 ] [ 1.720544 4.412025 2.913651 ] [ 3.389094 2.945578 1.506594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.45188e-10 2.434317e-10 1.979428e-10 ] [ 1.55189e-10 4.089359e-10 8.57215e-11 ] [ 1.720544e-10 4.412025e-10 2.913651e-10 ] [ 3.389094e-10 2.945578e-10 1.506594e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.9684313 -27.3122718 6.340393 ] [ -10.4034977 17.4342246 -24.5346848 ] [ -7.0460244 21.557591 25.5045502 ] [ 31.4179534 -11.6795438 -7.3102584 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.237989405811095e-08 -4.375908333889514e-08 1.015842943128397e-08 ] [ -1.666824078948658e-08 2.793270705589623e-08 -3.930889838525713e-08 ] [ -1.128897556326635e-08 3.453906830096849e-08 4.086279405445996e-08 ] [ 5.033711041086387e-08 -1.871269201796959e-08 -1.171232510048681e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.238628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.082367999786826e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8866511 2.0947388 2.8434133 ] [ 2.1700528 4.8459005 0.7850306 ] [ 0.9023122 4.3246163 2.8010092 ] [ 3.1543919 2.6160234 0.8274349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8866511e-10 2.0947388e-10 2.8434133e-10 ] [ 2.1700528e-10 4.8459005e-10 7.850306000000001e-11 ] [ 9.023122e-11 4.3246163e-10 2.8010092e-10 ] [ 3.1543919e-10 2.6160234e-10 8.274349e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 5.4e-06 -2.4e-06 ] [ -0.0 -3.5e-06 2.5e-06 ] [ 3.9e-06 -4.5e-06 -2.8e-06 ] [ -3.4e-06 2.6e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 8.65175375232e-15 -3.84522388992e-15 ] [ 0.0 -5.6076181728e-15 4.005441552e-15 ] [ 6.24848882112e-15 -7.2097947936e-15 -4.48609453824e-15 ] [ -5.44740051072e-15 4.16565921408e-15 4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.104631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298505030841092e-18 } }