{ "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" [ [ 2.586158 0.6938923 0.8841089 ] [ 2.34485 2.26041 2.433738 ] [ 3.767171 2.568287 0.2210666 ] [ 4.342877 1.484782 1.999902 ] [ 4.214846 3.620834 1.934125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.586158e-10 6.938923e-11 8.841089e-11 ] [ 2.34485e-10 2.26041e-10 2.433738e-10 ] [ 3.767171e-10 2.568287e-10 2.210666e-11 ] [ 4.342877e-10 1.484782e-10 1.999902e-10 ] [ 4.214846e-10 3.620834e-10 1.934125e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6391584 -2.3856934 -1.655994 ] [ -2.9833246 1.1905202 2.9783919 ] [ 0.2980399 0.3581415 -5.6989771 ] [ 3.4903108 -3.2166426 2.115513 ] [ 0.8341324 4.0536744 2.2610661 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.626221287904825e-09 -3.822302221368016e-09 -2.653194892844196e-09 ] [ -4.779812965757396e-09 1.907423646745007e-09 4.771909909074864e-09 ] [ 4.775125637796966e-10 5.738059429657109e-10 -9.13076794732108e-09 ] [ 5.592094409157846e-09 -5.153629613649008e-09 3.389425497523242e-09 ] [ 1.336427440942341e-09 6.494702405523969e-09 3.622627273349507e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.336001732689672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.335574719709891e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7563506 0.8046712 0.9747534 ] [ 2.0022267 2.5075674 2.4607839 ] [ 3.5850956 2.7152556 -0.182698 ] [ 4.7662182 1.1540997 2.2056782 ] [ 4.1460109 3.4466114 2.0144231 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7563506e-10 8.046712000000001e-11 9.747534000000001e-11 ] [ 2.0022267e-10 2.5075674e-10 2.4607839e-10 ] [ 3.5850956e-10 2.7152556e-10 -1.82698e-11 ] [ 4.7662182e-10 1.1540997e-10 2.2056782e-10 ] [ 4.1460109e-10 3.4466114e-10 2.0144231e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.3e-06 -1.56e-05 -6.5e-06 ] [ 5.6e-06 6.6e-06 -1e-07 ] [ -8e-07 6.9e-06 -3.4e-06 ] [ 8.4e-06 -4.8e-06 7.2e-06 ] [ -3.9e-06 6.9e-06 2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.49002426962e-14 -2.49939554904e-14 -1.0414148121e-14 ] [ 8.972189150399999e-15 1.05743657844e-14 -1.602176634e-16 ] [ -1.2817413072e-15 1.10550187746e-14 -5.4474005556e-15 ] [ 1.34582837256e-14 -7.690447843199998e-15 1.15356717648e-14 ] [ -6.248488872599999e-15 1.10550187746e-14 4.3258769118e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }