{ "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" [ [ -6.3242938 -1.3563716 5.1481053 ] [ -0.3136845 0.621132 0.1095607 ] [ -3.5396398 2.3816874 -5.0936845 ] [ 4.3558119 -6.1145573 -3.8906095 ] [ 1.8362952 -1.3623737 4.240889 ] [ 0.9617749 3.0336213 -3.6356095 ] [ 3.0237361 2.7968619 3.1213485 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.013263566943039e-08 -2.173146866637089e-09 8.248173953076571e-09 ] [ -5.025779722073376e-10 9.951631688307456e-10 1.755355920984826e-10 ] [ -5.671128133613188e-09 3.815883870333939e-09 -8.160982219631339e-09 ] [ 6.978779990782428e-09 -9.796600752601972e-09 -6.233443581562378e-09 ] [ 2.94206923832726e-09 -2.182763290932793e-09 6.794653207207892e-09 ] [ 1.540933259252258e-09 4.860397123220903e-09 -5.824888543258378e-09 ] [ 4.844559286888971e-09 4.481066747786267e-09 5.000951592069148e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.426517 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.092062048973753e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5655225 3.1832898 4.7325375 ] [ 1.7140059 4.0005491 2.7103269 ] [ 3.4243106 3.5715782 1.1715957 ] [ 4.3069227 1.5676434 1.9907617 ] [ 4.6811206 2.3653702 4.1562643 ] [ 5.115259 5.0937292 1.7198573 ] [ 5.9667778 4.2764881 3.7420718 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5655225e-10 3.1832898e-10 4.732537500000001e-10 ] [ 1.7140059e-10 4.0005491e-10 2.7103269e-10 ] [ 3.4243106e-10 3.5715782e-10 1.1715957e-10 ] [ 4.306922700000001e-10 1.5676434e-10 1.9907617e-10 ] [ 4.6811206e-10 2.3653702e-10 4.1562643e-10 ] [ 5.115259e-10 5.093729200000001e-10 1.7198573e-10 ] [ 5.9667778e-10 4.2764881e-10 3.7420718e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.09e-05 6.3e-06 -2.34e-05 ] [ -1.97e-05 1.21e-05 -8e-06 ] [ -8.5e-06 -1.12e-05 1.39e-05 ] [ -1.9e-06 5.6e-06 3.3e-06 ] [ 1.36e-05 -2.14e-05 1e-06 ] [ -7.3e-06 1e-06 -6.5e-06 ] [ 1.29e-05 7.5e-06 1.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.746372516672e-14 1.009371271104e-14 -3.749093292672001e-14 ] [ -3.156287942976e-14 1.938633711168e-14 -1.28174129664e-14 ] [ -1.36185012768e-14 -1.794437815296e-14 2.227025502912e-14 ] [ -3.04413557952e-15 8.972189076479999e-15 5.28718284864e-15 ] [ 2.178960204288e-14 -3.428657968511999e-14 1.6021766208e-15 ] [ -1.169588933184e-14 1.6021766208e-15 -1.04141480352e-14 ] [ 2.066807840832e-14 1.2016324656e-14 3.140266176767999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.777266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.886926024214273e-18 } }