{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2352139 -0.6177259 2.4693817 ] [ 3.8916277 1.0155162 1.4533234 ] [ 1.076327 -4.0539055 2.6121616 ] [ 2.0317939 3.9475741 -4.1003631 ] [ -3.9703718 0.1720064 0.7612729 ] [ -1.548823 -1.1904713 -2.6566135 ] [ -0.2453398 0.727006 -0.5391631 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.979030832267189e-09 -9.897059950426388e-10 3.95638562757136e-09 ] [ 6.235074917797677e-09 1.627036313683657e-09 2.328480773941567e-09 ] [ 1.724465955735802e-09 -6.495072615032535e-09 4.185144245271521e-09 ] [ 3.255292684864053e-09 6.324710931895601e-09 -6.569505895611013e-09 ] [ -6.361236873843614e-09 2.755846327079731e-10 1.219693642428616e-09 ] [ -2.481488000357319e-09 -1.907345284593383e-09 -4.256364040201661e-09 ] [ -3.930776917117479e-10 1.164792016381325e-09 -8.638345136180525e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.673887 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.632757165406105e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4573323 1.1163273 2.2188521 ] [ 2.8402845 1.0023437 1.9185202 ] [ 1.7886004 2.8210111 3.2692949 ] [ 1.7832586 0.4721797 4.1184962 ] [ 4.1791841 0.4069587 3.8361516 ] [ 3.1609848 2.16773 5.1439274 ] [ 4.1843592 2.6810155 3.0139876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.573323e-11 1.1163273e-10 2.2188521e-10 ] [ 2.8402845e-10 1.0023437e-10 1.9185202e-10 ] [ 1.7886004e-10 2.8210111e-10 3.2692949e-10 ] [ 1.7832586e-10 4.721797e-11 4.1184962e-10 ] [ 4.1791841e-10 4.069587e-11 3.8361516e-10 ] [ 3.1609848e-10 2.16773e-10 5.1439274e-10 ] [ 4.1843592e-10 2.6810155e-10 3.0139876e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 -2.79e-05 -5.5e-06 ] [ -5.1e-06 6.6e-06 9e-06 ] [ 9.1e-06 2.56e-05 3.23e-05 ] [ -2.5e-06 2.89e-05 -4.5e-06 ] [ 2.01e-05 -1.37e-05 -3.9e-06 ] [ -3.32e-05 -1.11e-05 -3.1e-06 ] [ 4.6e-06 -8.4e-06 -2.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.153567166976e-14 -4.470072772032e-14 -8.8119714144e-15 ] [ -8.17110076608e-15 1.057436569728e-14 1.44195895872e-14 ] [ 1.457980724928e-14 4.101572149248001e-14 5.175030485184e-14 ] [ -4.005441552e-15 4.630290434112001e-14 -7.2097947936e-15 ] [ 3.220375007808e-14 -2.194981970496e-14 -6.24848882112e-15 ] [ -5.319226381056e-14 -1.778416049088e-14 -4.96674752448e-15 ] [ 7.370012455680001e-15 -1.345828361472e-14 -3.877267422336e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973496641725e-18 } }