{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.836271 -6.0942013 -2.8846549 ] [ -7.1520984 5.2643053 7.960197 ] [ -5.3845049 1.2264441 -1.1929155 ] [ 5.5373097 -1.8887513 -3.1074169 ] [ 7.5527826 -6.198303 4.524071 ] [ 2.1919768 -0.9475155 -10.0692411 ] [ 3.0908051 8.6380218 4.7699604 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.350737025891813e-09 -9.763986925752424e-09 -4.621726677933606e-09 ] [ -1.145892494054878e-08 8.43434694590236e-09 1.27536416354369e-08 ] [ -8.626927936438506e-09 1.964980079927159e-09 -1.911261340436427e-09 ] [ 8.871748216561548e-09 -3.026113200297124e-09 -4.978630749276714e-09 ] [ 1.210089180340177e-08 -9.930776237052101e-09 7.248360846757013e-09 ] [ 3.511934011230091e-09 -1.518087194452827e-09 -1.613270281253246e-08 ] [ 4.952015711468032e-09 1.383963669194262e-08 7.642319097985293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6892144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.552383291349633e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7247804 1.2386171 2.6499931 ] [ 2.2382824 3.1711418 4.1700003 ] [ 1.3160529 3.5793527 1.8696491 ] [ 4.0719447 1.467711 2.0337429 ] [ 4.5840765 2.2794431 4.2743272 ] [ 3.6707575 3.7652611 1.2678031 ] [ 4.1753107 4.6201782 3.4939994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7247804e-10 1.2386171e-10 2.6499931e-10 ] [ 2.2382824e-10 3.1711418e-10 4.1700003e-10 ] [ 1.3160529e-10 3.5793527e-10 1.8696491e-10 ] [ 4.071944700000001e-10 1.467711e-10 2.0337429e-10 ] [ 4.5840765e-10 2.2794431e-10 4.2743272e-10 ] [ 3.6707575e-10 3.7652611e-10 1.2678031e-10 ] [ 4.1753107e-10 4.6201782e-10 3.4939994e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-05 -9e-07 -1.18e-05 ] [ 4.13e-05 2.02e-05 -1.2e-05 ] [ -7.6e-06 8.5e-06 -3e-06 ] [ -2.5e-06 -1.62e-05 6e-06 ] [ -2.55e-05 3.07e-05 7.1e-06 ] [ -3.07e-05 5.6e-06 -1.31e-05 ] [ -2.1e-06 -4.79e-05 2.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.325876911799999e-14 -1.4419589706e-15 -1.89056842812e-14 ] [ 6.61698949842e-14 3.236396800679999e-14 -1.9226119608e-14 ] [ -1.21765424184e-14 1.3618501389e-14 -4.806529901999999e-15 ] [ -4.005441585e-15 -2.59552614708e-14 9.613059803999999e-15 ] [ -4.0855504167e-14 4.91868226638e-14 1.13754541014e-14 ] [ -4.91868226638e-14 8.972189150399999e-15 -2.09885139054e-14 ] [ -3.364570931399999e-15 -7.674426076859999e-14 4.277811612779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.65628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.828847925936151e-18 } }