{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.8328 1.144076 3.909989 ] [ 1.831555 2.949109 3.983595 ] [ 4.980623 2.123246 2.998848 ] [ 3.28235 2.585733 1.880535 ] [ 4.448764 2.855471 5.04642 ] [ 4.331941 4.016039 3.033368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8328e-10 1.144076e-10 3.909989e-10 ] [ 1.831555e-10 2.949109e-10 3.983595000000001e-10 ] [ 4.980622999999999e-10 2.123246e-10 2.998848e-10 ] [ 3.28235e-10 2.585733e-10 1.880535e-10 ] [ 4.448764e-10 2.855471e-10 5.04642e-10 ] [ 4.331941e-10 4.016039e-10 3.033368e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1661388 -17.6940326 4.2870943 ] [ -15.8190485 7.5728465 4.7492576 ] [ 18.0995781 -11.5561156 -4.6621411 ] [ -8.005879 -1.5472259 -19.3393199 ] [ 5.9630265 2.2928776 17.7696239 ] [ 4.9284617 20.9316498 -2.8045148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.277066805167766e-09 -2.834896535939304e-08 6.868682258624941e-09 ] [ -2.534490967000131e-08 1.213303761520711e-08 7.609149492876718e-09 ] [ 2.899872087816369e-08 -1.851493824158217e-08 -7.469573473290796e-09 ] [ -1.282683216275368e-08 -2.478929164076238e-09 -3.098500620595219e-08 ] [ 9.553821647510852e-09 3.673594885076015e-09 2.847007597298892e-08 ] [ 7.896266112248223e-09 3.3536199944333e-08 -4.493328045247588e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 74.687892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.196631944192354e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.2996895 -0.9977321 4.3452556 ] [ 0.1052677 4.0414432 4.5482937 ] [ 7.0389032 1.0346903 2.4032972 ] [ 2.3640796 2.310214 -0.2353935 ] [ 5.0026793 3.0393835 7.1294196 ] [ 4.8974138 6.2456751 2.6618824 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2996895e-10 -9.977321e-11 4.3452556e-10 ] [ 1.052677e-11 4.0414432e-10 4.548293700000001e-10 ] [ 7.0389032e-10 1.0346903e-10 2.4032972e-10 ] [ 2.3640796e-10 2.310214e-10 -2.353935e-11 ] [ 5.0026793e-10 3.0393835e-10 7.129419600000001e-10 ] [ 4.8974138e-10 6.2456751e-10 2.6618824e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }