{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.6597303 -3.5957919 19.0422626 ] [ -0.3205139 0.5500541 0.3254246 ] [ -3.4632078 10.088798 -18.1407726 ] [ 12.7435275 -11.6471141 -9.1058745 ] [ 5.1937517 -1.0210138 8.7310432 ] [ -3.066898 5.9965305 -14.9627861 ] [ 3.5730709 -0.3714629 14.1107028 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.348747734740181e-08 -5.761093762906465e-09 3.050906819621209e-08 ] [ -5.135198814522126e-10 8.812838264558993e-10 5.213876902487963e-10 ] [ -5.548670615846545e-09 1.616403642074593e-08 -2.906472198242742e-08 ] [ 2.041738199523644e-08 -1.866073406455194e-08 -1.458921935603643e-08 ] [ 8.321307616537777e-09 -1.635844453351549e-09 1.398867340548459e-08 ] [ -4.913712314461332e-09 9.607501052168338e-09 -2.397302626895999e-08 ] [ 5.72469070760535e-09 -5.951491787778785e-10 2.260783831547838e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.847535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.898184374749719e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4845357 2.3118241 3.6376421 ] [ 1.4818072 4.6556922 3.1815964 ] [ 2.8381389 3.6086364 1.239629 ] [ 4.8187116 2.1194929 2.3021042 ] [ 4.6469683 2.6741397 4.9980486 ] [ 5.1903548 4.6668267 1.3130619 ] [ 6.3134025 4.0220361 3.5513327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4845357e-10 2.3118241e-10 3.6376421e-10 ] [ 1.4818072e-10 4.6556922e-10 3.1815964e-10 ] [ 2.8381389e-10 3.6086364e-10 1.239629e-10 ] [ 4.8187116e-10 2.1194929e-10 2.3021042e-10 ] [ 4.646968300000001e-10 2.6741397e-10 4.9980486e-10 ] [ 5.1903548e-10 4.6668267e-10 1.3130619e-10 ] [ 6.3134025e-10 4.0220361e-10 3.5513327e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.02e-05 6.4e-06 1.95e-05 ] [ -1.48e-05 1.2e-05 -2.95e-05 ] [ -1.5e-05 -2.9e-06 1.11e-05 ] [ -2.6e-06 1.06e-05 -1.11e-05 ] [ -1.49e-05 -3.44e-05 1.5e-05 ] [ 1.88e-05 -1.19e-05 3.45e-05 ] [ -1.7e-06 2.02e-05 -3.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.838573434679999e-14 1.02539304576e-14 3.1242444363e-14 ] [ -2.37122141832e-14 1.9226119608e-14 -4.726421070299999e-14 ] [ -2.403264951e-14 -4.6463122386e-15 1.77841606374e-14 ] [ -4.165659248399999e-15 1.69830723204e-14 -1.77841606374e-14 ] [ -2.38724318466e-14 -5.51148762096e-14 2.403264951e-14 ] [ 3.012092071919999e-14 -1.90659019446e-14 5.527509387299999e-14 ] [ -2.7237002778e-15 3.236396800679999e-14 -6.31257593796e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.324373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.736976542330048e-18 } }