{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3242391 -2.2133868 -0.6894402 ] [ 0.7860073 -6.9336534 0.6652333 ] [ -0.5953225 -0.4098819 0.0589961 ] [ 0.5889381 0.9221973 -0.7975331 ] [ 3.8043796 2.2387253 1.1876919 ] [ -3.1549759 2.4169707 -6.9289933 ] [ 0.8952125 3.9790288 6.5040454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.723841547169233e-09 -3.546236583747325e-09 -1.104604969879676e-09 ] [ 1.259322519838132e-09 -1.110893737421043e-08 1.065821240637633e-09 ] [ -9.53811791336208e-10 -6.567031974690835e-10 9.452217213837888e-11 ] [ 9.435828549183725e-10 1.477522953824884e-09 -1.277788887134148e-09 ] [ 6.095288051768456e-09 3.586833336053466e-09 1.902892194893531e-09 ] [ -5.05482862616744e-09 3.87241394869861e-09 -1.110147107093984e-08 ] [ 1.43428853814792e-09 6.375106916849879e-09 1.042062948050179e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.732961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.520698229015819e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0699806 2.7694001 2.7995258 ] [ 4.6224778 0.9796203 1.660564 ] [ 5.6128962 1.819915 3.6707248 ] [ 3.3482157 1.0185412 3.6860283 ] [ 5.4947191 3.9812604 2.7763582 ] [ 3.8469742 3.1617228 1.1674561 ] [ 3.2766724 4.8078425 2.9687109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0699806e-10 2.7694001e-10 2.7995258e-10 ] [ 4.622477800000001e-10 9.796203e-11 1.660564e-10 ] [ 5.6128962e-10 1.819915e-10 3.6707248e-10 ] [ 3.3482157e-10 1.0185412e-10 3.6860283e-10 ] [ 5.4947191e-10 3.9812604e-10 2.7763582e-10 ] [ 3.8469742e-10 3.1617228e-10 1.1674561e-10 ] [ 3.2766724e-10 4.8078425e-10 2.9687109e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.5e-06 -3.1e-06 -9.1e-06 ] [ 1.2e-06 -3.55e-05 1.48e-05 ] [ -1.51e-05 -1.2e-06 -2.46e-05 ] [ -7.7e-06 7.7e-06 2.2e-06 ] [ 1.99e-05 3.36e-05 6e-07 ] [ 4.1e-06 1.6e-06 -9.5e-06 ] [ -1.09e-05 -3.2e-06 2.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.36185012768e-14 -4.96674752448e-15 -1.457980724928e-14 ] [ 1.92261194496e-15 -5.68772700384e-14 2.371221398784e-14 ] [ -2.419286697408e-14 -1.92261194496e-15 -3.941354487168e-14 ] [ -1.233675998016e-14 1.233675998016e-14 3.52478856576e-15 ] [ 3.188331475392e-14 5.383313445888e-14 9.6130597248e-16 ] [ 6.568924145279999e-15 2.56348259328e-15 -1.52206778976e-14 ] [ -1.746372516672e-14 -5.126965186560001e-15 4.101572149248001e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.244274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.56392557494693e-18 } }