{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.063008 0.092491 -1.3985739 ] [ 1.3223955 0.253731 1.6452586 ] [ -1.0395185 -0.4560174 -1.2472022 ] [ -0.7812309 1.3466011 -0.181422 ] [ -0.7952766 -0.4271636 0.4421767 ] [ -0.4889236 0.9148473 0.6363905 ] [ 0.7195461 -1.7244894 0.1033723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.703126579355072e-09 1.48186919055294e-10 -2.240762423502253e-09 ] [ 2.118711171006747e-09 4.065218795214539e-10 2.635994885807552e-09 ] [ -1.665492251310729e-09 -7.306204229774316e-10 -1.998238222713395e-09 ] [ -1.25166989373879e-09 2.157492817738697e-09 -2.906700892935479e-10 ] [ -1.274173586086964e-09 -6.843915388153223e-10 7.084451768392277e-10 ] [ -7.833419677311624e-10 1.465746967737988e-09 1.019609989199577e-09 ] [ 1.152839948505827e-09 -2.762936622260679e-09 1.656206836628382e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.260208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.688002156357987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0552678 2.0611793 1.3220709 ] [ 2.0168208 1.6995747 3.7874746 ] [ 2.3050778 3.8943885 2.6428898 ] [ 3.3846723 0.4130597 2.1491114 ] [ 4.3792027 2.6906598 1.9650675 ] [ 4.4561378 1.2276871 3.9810404 ] [ 3.7889058 3.3792673 4.2862173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0552678e-10 2.0611793e-10 1.3220709e-10 ] [ 2.0168208e-10 1.6995747e-10 3.7874746e-10 ] [ 2.3050778e-10 3.8943885e-10 2.6428898e-10 ] [ 3.3846723e-10 4.130597e-11 2.1491114e-10 ] [ 4.3792027e-10 2.6906598e-10 1.9650675e-10 ] [ 4.4561378e-10 1.2276871e-10 3.9810404e-10 ] [ 3.7889058e-10 3.3792673e-10 4.2862173e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-05 1.51e-05 3.16e-05 ] [ -1.85e-05 -9.5e-06 -7.9e-06 ] [ -6.7e-06 -1e-07 -5.6e-06 ] [ 1.8e-05 -1.02e-05 4.2e-06 ] [ 5.2e-05 1.42e-05 -6.84e-05 ] [ -1.63e-05 6.4e-06 2.62e-05 ] [ -2.5e-06 -1.59e-05 1.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.165659248399999e-14 2.41928671734e-14 5.06287816344e-14 ] [ -2.9640267729e-14 -1.5220678023e-14 -1.26571954086e-14 ] [ -1.07345834478e-14 -1.602176634e-16 -8.972189150399999e-15 ] [ 2.8839179412e-14 -1.63422016668e-14 6.729141862799999e-15 ] [ 8.331318496799998e-14 2.27509082028e-14 -1.095888817656e-13 ] [ -2.61154791342e-14 1.02539304576e-14 4.197702781079999e-14 ] [ -4.005441585e-15 -2.54746084806e-14 3.18833150166e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.185082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.836183307577399e-18 } }