{ "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" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.2149386 -8.5145846 9.4631561 ] [ -24.9880575 18.43743 0.2645932 ] [ 4.1257734 -24.0506628 -21.9363591 ] [ 8.6451449 -9.1220375 8.6212812 ] [ 15.2471828 10.2762226 -17.6963852 ] [ 11.1848952 12.9736323 21.2837138 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.277484229102748e-08 -1.364186838194372e-08 1.516164746240091e-08 ] [ -4.00352815257061e-08 2.954001929363654e-08 4.239250390626585e-10 ] [ 6.610217684198527e-09 -3.853340965290426e-08 -3.514592169549333e-08 ] [ 1.385104904220835e-08 -1.461511521656088e-08 1.381281517998257e-08 ] [ 2.442867981522388e-08 1.646432359985659e-08 -2.835273464011114e-08 ] [ 1.792017759553814e-08 2.078605035791573e-08 3.410026865415833e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.371344 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.821890150387436e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3162705 0.7482821 2.5218532 ] [ 1.1535328 3.0096372 1.8681741 ] [ 3.3171303 0.331171 0.4701078 ] [ 2.7285264 0.1503065 2.7777479 ] [ 2.2054825 2.3493635 -0.171882 ] [ 3.0949875 2.5492383 3.3717673 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.162705e-11 7.482821e-11 2.5218532e-10 ] [ 1.1535328e-10 3.0096372e-10 1.8681741e-10 ] [ 3.3171303e-10 3.31171e-11 4.701078000000001e-11 ] [ 2.7285264e-10 1.503065e-11 2.7777479e-10 ] [ 2.2054825e-10 2.3493635e-10 -1.71882e-11 ] [ 3.0949875e-10 2.5492383e-10 3.3717673e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.74e-05 1.48e-05 -3.91e-05 ] [ 3.81e-05 -7.35e-05 1.5e-05 ] [ -1.82e-05 3.32e-05 3e-05 ] [ -4.49e-05 3.87e-05 2.85e-05 ] [ -3.28e-05 8.7e-06 -2.54e-05 ] [ 1.05e-05 -2.2e-05 -9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.594317182591999e-14 2.371221398784e-14 -6.264510587328001e-14 ] [ 6.104292925248e-14 -1.177599816288e-13 2.4032649312e-14 ] [ -2.915961449856e-14 5.319226381056e-14 4.8065298624e-14 ] [ -7.193773027392e-14 6.200423522496e-14 4.56620336928e-14 ] [ -5.255139316223999e-14 1.393893660096e-14 -4.069528616832e-14 ] [ 1.68228545184e-14 -3.52478856576e-14 -1.44195895872e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }