{ "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" [ [ -5.4948163 5.5937319 3.1536932 ] [ 2.4686404 -3.020797 -3.8726423 ] [ -0.2061011 -5.464384 -4.0199747 ] [ 2.0348266 -0.774193 2.1153882 ] [ -0.3986696 -2.5401256 2.9214347 ] [ -0.3235027 0.9091622 -2.6396766 ] [ 1.9196226 5.2966054 2.3417775 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.803666283982332e-09 8.962146547040425e-09 5.052773555844689e-09 ] [ 3.955197966628413e-09 -4.839850369457297e-09 -6.204657004900018e-09 ] [ -3.302103666616974e-10 -8.754908364003456e-09 -6.440709533611159e-09 ] [ 3.260151632761664e-09 -1.240393934806362e-09 3.389225545879318e-09 ] [ -6.387391178061263e-10 -4.06972988374523e-09 4.680654414096799e-09 ] [ -5.183084669759117e-10 1.456638433356035e-09 -4.229228169836564e-09 ] [ 3.075574475818328e-09 8.486097411398223e-09 3.751941192526935e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.477574 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.159345414580591e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8395375 4.1952485 3.3012726 ] [ 5.8154786 2.338589 2.0466072 ] [ 3.5777354 1.5938397 1.5499615 ] [ 5.6151431 2.1556198 4.5375907 ] [ 3.2623708 1.8688774 3.9717987 ] [ 2.208229 3.4989673 1.1061194 ] [ 5.2416116 4.3608962 3.4080594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8395375e-10 4.1952485e-10 3.3012726e-10 ] [ 5.8154786e-10 2.338589e-10 2.0466072e-10 ] [ 3.5777354e-10 1.5938397e-10 1.5499615e-10 ] [ 5.6151431e-10 2.1556198e-10 4.5375907e-10 ] [ 3.2623708e-10 1.8688774e-10 3.9717987e-10 ] [ 2.208229e-10 3.4989673e-10 1.1061194e-10 ] [ 5.2416116e-10 4.3608962e-10 3.4080594e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-06 6.7e-06 -1.71e-05 ] [ 1.65e-05 -5.41e-05 -7.57e-05 ] [ 3.9e-06 1.61e-05 -1.17e-05 ] [ -5.2e-06 -5.22e-05 7.15e-05 ] [ 1.56e-05 1e-06 4.3e-06 ] [ -1.03e-05 -1.06e-05 1.28e-05 ] [ -2.44e-05 9.31e-05 1.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706535999999e-15 1.07345834478e-14 -2.73972204414e-14 ] [ 2.6435914461e-14 -8.66777558994e-14 -1.212847711938e-13 ] [ 6.248488872599999e-15 2.579504380739999e-14 -1.87454666178e-14 ] [ -8.331318496799998e-15 -8.36336202948e-14 1.14555629331e-13 ] [ 2.49939554904e-14 1.602176634e-15 6.8893595262e-15 ] [ -1.65024193302e-14 -1.69830723204e-14 2.05078609152e-14 ] [ -3.909310986959999e-14 1.491626446254e-13 2.54746084806e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.063307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894060840816863e-18 } }