{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.1051311 7.8252627 6.4043999 ] [ 4.5001859 -4.0216799 -5.6212841 ] [ -0.1117137 -8.9197251 -5.5130564 ] [ 2.3909818 -1.9765972 4.0445203 ] [ -0.724169 -3.9305727 5.1147364 ] [ -1.3233246 3.3314545 -6.325189 ] [ 1.3731705 7.6918576 1.8958729 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.781498395926716e-09 1.253745305285175e-08 1.026097987457194e-08 ] [ 7.21009269763626e-09 -6.443441565207455e-09 -9.006290038095718e-09 ] [ -1.789850798376858e-10 -1.429097513692331e-08 -8.832890146004156e-09 ] [ 3.830775172279261e-09 -3.166857848669825e-09 6.48003592039867e-09 ] [ -1.160246650867146e-09 -6.29747173817829e-09 8.194711149149277e-09 ] [ -2.120199753317396e-09 5.337578557134152e-09 -1.013407002143382e-08 ] [ 2.200061689598097e-09 1.232371451877532e-08 3.037523261413818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.008694 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.763787229765599e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6672975 4.1098463 3.6009653 ] [ 5.6739321 2.4395171 1.7660243 ] [ 3.4451838 1.2897707 1.7208488 ] [ 5.5703873 2.2434155 4.3856902 ] [ 3.132717 1.7369756 4.1367489 ] [ 2.969521 3.6761826 1.1605188 ] [ 5.1010673 4.5163303 3.1506132 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6672975e-10 4.1098463e-10 3.6009653e-10 ] [ 5.673932100000001e-10 2.4395171e-10 1.7660243e-10 ] [ 3.4451838e-10 1.2897707e-10 1.7208488e-10 ] [ 5.5703873e-10 2.2434155e-10 4.3856902e-10 ] [ 3.132717e-10 1.7369756e-10 4.1367489e-10 ] [ 2.969521e-10 3.6761826e-10 1.1605188e-10 ] [ 5.1010673e-10 4.5163303e-10 3.1506132e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.73e-05 2.9e-06 -3.69e-05 ] [ 1.5e-05 -2.1e-05 1.8e-06 ] [ 1.05e-05 3.69e-05 -1e-07 ] [ 1.72e-05 -9.3e-06 8.7e-06 ] [ -1.22e-05 5.7e-06 -1.8e-05 ] [ -5.61e-05 -2.87e-05 1.56e-05 ] [ -1.8e-06 1.37e-05 2.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.37394221082e-14 4.6463122386e-15 -5.91203177946e-14 ] [ 2.403264951e-14 -3.364570931399999e-14 2.8839179412e-15 ] [ 1.6822854657e-14 5.91203177946e-14 -1.602176634e-16 ] [ 2.75574381048e-14 -1.49002426962e-14 1.39389367158e-14 ] [ -1.95465549348e-14 9.1324068138e-15 -2.8839179412e-14 ] [ -8.988210916739999e-14 -4.598246939579999e-14 2.49939554904e-14 ] [ -2.8839179412e-15 2.19498198858e-14 4.6463122386e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.346236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.939391064104962e-18 } }