{ "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" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -445.7519742 -293.7284553 -66.2182184 ] [ -64.0089028 32.8709423 60.4524787 ] [ 261.5861885 -260.074747 -93.6369341 ] [ 520.3908788 128.261921 343.9715015 ] [ -272.2161903 392.6703391 -244.5688277 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.141733917386847e-07 -4.706048639453579e-07 -1.060932813915084e-07 ] [ -1.025535675892197e-07 5.266505525672578e-08 9.685554804254998e-08 ] [ 4.191072755388818e-07 -4.16685679303875e-07 -1.500229066584103e-07 ] [ 8.337580996909264e-07 2.054982511650966e-07 5.511030979247721e-07 ] [ -4.361384159019037e-07 6.291272369876282e-07 -3.918424579174035e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 447.3718 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.167686387652134e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.230881 0.165457 2.2880007 ] [ -0.2873624 3.2349174 1.9528348 ] [ 3.6516243 1.1847808 0.1330314 ] [ 3.0094917 -0.2062139 2.519051 ] [ 0.9873542 1.8039862 -0.5230538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.30881e-11 1.65457e-11 2.2880007e-10 ] [ -2.873624e-11 3.2349174e-10 1.9528348e-10 ] [ 3.6516243e-10 1.1847808e-10 1.330314e-11 ] [ 3.0094917e-10 -2.062139e-11 2.519051e-10 ] [ 9.873542e-11 1.8039862e-10 -5.230538e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.8e-06 -2.12e-05 -7.5e-06 ] [ 4.7e-06 -4e-07 4.9e-06 ] [ 4.8e-06 -1.26e-05 -2.22e-05 ] [ 2.4e-06 1.58e-05 2.67e-05 ] [ -2e-06 1.84e-05 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.570133088384e-14 -3.396614436096001e-14 -1.2016324656e-14 ] [ 7.53023011776e-15 -6.408706483200001e-16 7.850665441919999e-15 ] [ 7.69044777984e-15 -2.018742542208e-14 -3.556832098176e-14 ] [ 3.84522388992e-15 2.531439060864e-14 4.277811577536e-14 ] [ -3.2043532416e-15 2.948004982272e-14 -3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.673165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870247205374083e-18 } }