{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7187078 -3.1644988 -2.7088649 ] [ 1.5619577 -3.9545513 0.7951769 ] [ -2.2848213 3.5623182 -2.4712559 ] [ -1.4372449 -1.8759783 0.8267762 ] [ 0.9954421 1.1752158 0.7245463 ] [ 2.1124761 2.1127564 -3.2947591 ] [ 1.7708982 2.144738 6.1283805 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.355850111833545e-09 -5.070086035681038e-09 -4.340080047442746e-09 ] [ 2.502532130236382e-09 -6.335889690814324e-09 1.274013849076554e-09 ] [ -3.660687299725504e-09 5.707462982912938e-09 -3.95938845961464e-09 ] [ -2.302720196115666e-09 -3.005648598151042e-09 1.324641509187311e-09 ] [ 1.594874073119891e-09 1.882903294667617e-09 1.160851152111154e-09 ] [ 3.384559847303447e-09 3.385008937413957e-09 -5.278786044678869e-09 ] [ 2.837291717232659e-09 3.436249109651891e-09 9.818748041361237e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.11624 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.062759305793616e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1226431 3.2413384 2.5297392 ] [ 4.7066815 0.9970802 2.0111278 ] [ 3.8394778 2.8637599 0.769849 ] [ 3.4688659 1.7028901 3.946832 ] [ 5.4068176 3.1720635 2.8875403 ] [ 3.8741355 4.9777532 2.0468227 ] [ 3.6053217 4.1357237 4.3512283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1226431e-10 3.2413384e-10 2.5297392e-10 ] [ 4.7066815e-10 9.970802e-11 2.0111278e-10 ] [ 3.8394778e-10 2.8637599e-10 7.69849e-11 ] [ 3.4688659e-10 1.7028901e-10 3.946832e-10 ] [ 5.4068176e-10 3.1720635e-10 2.8875403e-10 ] [ 3.8741355e-10 4.9777532e-10 2.0468227e-10 ] [ 3.6053217e-10 4.1357237e-10 4.3512283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.55e-05 1.51e-05 2.2e-06 ] [ 4.47e-05 6.3e-06 6.9e-06 ] [ -2.28e-05 -1.8e-05 1.9e-06 ] [ -1.34e-05 -6.5e-06 -1.03e-05 ] [ 2.09e-05 -2.84e-05 -2.18e-05 ] [ 1.32e-05 1.88e-05 3.9e-06 ] [ -1.71e-05 1.28e-05 1.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.0855504167e-14 2.41928671734e-14 3.5247885948e-15 ] [ 7.16172955398e-14 1.00937127942e-14 1.10550187746e-14 ] [ -3.65296272552e-14 -2.8839179412e-14 3.0441356046e-15 ] [ -2.14691668956e-14 -1.0414148121e-14 -1.65024193302e-14 ] [ 3.34854916506e-14 -4.550181640559999e-14 -3.492745062119999e-14 ] [ 2.11487315688e-14 3.012092071919999e-14 6.248488872599999e-15 ] [ -2.73972204414e-14 2.05078609152e-14 2.73972204414e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.602861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.461159912174987e-18 } }