{ "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" [ [ 1.63984 2.632724 3.733643 ] [ 2.059322 3.100925 1.548727 ] [ 0.4497259 4.960249 3.35449 ] [ 2.730005 4.489518 3.533282 ] [ 4.056337 2.434117 2.913545 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.63984e-10 2.632724e-10 3.733643e-10 ] [ 2.059322e-10 3.100925e-10 1.548727e-10 ] [ 4.497259e-11 4.960249e-10 3.35449e-10 ] [ 2.730005e-10 4.489518e-10 3.533282e-10 ] [ 4.056337e-10 2.434117e-10 2.913545e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1015972 -3.7760306 2.3025708 ] [ 0.9492678 0.2030545 -2.0001368 ] [ -0.2457097 -0.7999563 0.2711519 ] [ 3.3273331 4.048086 -0.4993675 ] [ -0.929294 0.3248464 -0.0742183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.969306520978742e-09 -6.049867946745396e-09 3.689125103496753e-09 ] [ 1.52089467603825e-09 3.253291726482336e-10 -3.204572419361725e-09 ] [ -3.936703368437818e-10 -1.281671281521671e-09 4.344332348654995e-10 ] [ 5.330975302433989e-09 6.485748748187788e-09 -8.000749336873442e-10 ] [ -1.488893120649715e-09 5.20461307431045e-10 -1.189108250955206e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.406767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.987783202711295e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2998629 2.6274179 3.3803447 ] [ 2.5325771 2.9304425 1.2578724 ] [ 0.6447138 4.7779227 4.1678293 ] [ 2.6868113 4.7346907 2.9422735 ] [ 3.7712647 2.5470592 3.335367 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2998629e-10 2.6274179e-10 3.3803447e-10 ] [ 2.5325771e-10 2.9304425e-10 1.2578724e-10 ] [ 6.447138e-11 4.7779227e-10 4.167829300000001e-10 ] [ 2.6868113e-10 4.7346907e-10 2.9422735e-10 ] [ 3.7712647e-10 2.5470592e-10 3.335367000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.11e-05 1.35e-05 3.8e-06 ] [ 1.14e-05 1.4e-06 1.6e-06 ] [ -1.35e-05 3.5e-06 9.5e-06 ] [ -6.9e-06 -5.4e-06 -8.9e-06 ] [ -2e-06 -1.29e-05 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.778416049088e-14 2.16293843808e-14 6.08827115904e-15 ] [ 1.826481347712e-14 2.24304726912e-15 2.56348259328e-15 ] [ -2.16293843808e-14 5.6076181728e-15 1.52206778976e-14 ] [ -1.105501868352e-14 -8.65175375232e-15 -1.425937192512e-14 ] [ -3.2043532416e-15 -2.066807840832e-14 -9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.106817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260161239130399e-18 } }