{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5643095 -0.7860281 0.4581986 ] [ -0.2202173 1.1961935 -0.1102628 ] [ -0.3517751 -0.8690215 1.5126223 ] [ 4.2284314 -8.1828424 -16.7869756 ] [ 0.1974797 -1.9432851 26.4123998 ] [ -2.2896091 10.5849836 -11.4859823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.506300108595338e-09 -1.259355845111845e-09 7.34115084603291e-10 ] [ -3.528270095556999e-10 1.916513259652925e-09 -1.766604803039463e-10 ] [ -5.636058409995822e-10 -1.392325930272547e-09 2.423488085160724e-09 ] [ 6.774693931736613e-09 -1.311035878497096e-08 -2.689569984026006e-08 ] [ 3.163973584225978e-10 -3.11348595476899e-09 4.231732945878259e-08 ] [ -3.668358170790929e-09 1.695901325547142e-08 -1.840257230798261e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4949317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.20082043442328e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0560039 0.6950183 2.1747166 ] [ 0.2420192 2.567378 0.6838347 ] [ 0.9160134 2.8156175 2.9745041 ] [ 3.5547699 1.081295 1.061837 ] [ 2.3112884 0.8620967 2.9802242 ] [ 2.2180504 2.1829123 -0.4216002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.60039e-12 6.950183e-11 2.1747166e-10 ] [ 2.420192e-11 2.567378e-10 6.838347e-11 ] [ 9.160134e-11 2.8156175e-10 2.9745041e-10 ] [ 3.5547699e-10 1.081295e-10 1.061837e-10 ] [ 2.3112884e-10 8.620967000000001e-11 2.9802242e-10 ] [ 2.2180504e-10 2.1829123e-10 -4.216002e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 -6.6e-06 1.77e-05 ] [ 1.86e-05 -2e-06 -2.42e-05 ] [ 7.9e-06 4e-07 1.48e-05 ] [ -6e-06 1.2e-05 2.06e-05 ] [ 1.3e-06 4e-07 -3.81e-05 ] [ -1.07e-05 -4.2e-06 9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 -1.057436569728e-14 2.835852618816e-14 ] [ 2.980048514688e-14 -3.2043532416e-15 -3.877267422336e-14 ] [ 1.265719530432e-14 6.408706483200001e-16 2.371221398784e-14 ] [ -9.6130597248e-15 1.92261194496e-14 3.300483838848e-14 ] [ 2.08282960704e-15 6.408706483200001e-16 -6.104292925248e-14 ] [ -1.714328984256e-14 -6.72914180736e-15 1.457980724928e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.150504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.908031316453689e-18 } }