{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6141864 -2.1055735 -6.1930824 ] [ -3.6673318 2.4812424 -1.2300866 ] [ -0.4978472 -2.9147337 6.4860409 ] [ -2.8159586 4.8417875 -4.3637187 ] [ 0.8968015 0.6835926 0.2435515 ] [ 3.0340104 0.0532152 -0.1866325 ] [ 1.4361393 -3.0395304 5.2439277 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.586211711693317e-09 -3.373500635076029e-09 -9.922411831967953e-09 ] [ -5.875713270676382e-09 3.975388563817682e-09 -1.970815992079361e-09 ] [ -7.976391445707418e-10 -4.669918189997882e-09 1.039178309153259e-08 ] [ -4.5116630340607e-09 7.757398735381679e-09 -6.991448080887768e-09 ] [ 1.436834396798371e-09 1.095236081871886e-09 3.902125192607712e-10 ] [ 4.861020530144057e-09 8.526014931119615e-11 -2.99018228181456e-10 ] [ 2.300948810672078e-09 -4.869864545090872e-09 8.401698362105517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.787653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.849896177550298e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7703585 1.5767003 0.7568642 ] [ 1.0970427 2.7080432 1.8952112 ] [ 1.5636347 1.537773 3.841612 ] [ 2.6551329 4.3843622 2.5258731 ] [ 3.9050752 1.3720521 2.976722 ] [ 4.3324214 3.2574063 1.389039 ] [ 3.1258344 3.2183318 4.4738324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7703585e-10 1.5767003e-10 7.568642e-11 ] [ 1.0970427e-10 2.7080432e-10 1.8952112e-10 ] [ 1.5636347e-10 1.537773e-10 3.841612e-10 ] [ 2.6551329e-10 4.3843622e-10 2.5258731e-10 ] [ 3.9050752e-10 1.3720521e-10 2.976722e-10 ] [ 4.332421400000001e-10 3.2574063e-10 1.389039e-10 ] [ 3.1258344e-10 3.2183318e-10 4.4738324e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.77e-05 4.4e-06 -2.49e-05 ] [ 2.85e-05 -5.1e-06 -3.8e-06 ] [ -4e-06 -6e-05 5.6e-06 ] [ 1.27e-05 1.64e-05 -2.92e-05 ] [ -5.3e-06 3.23e-05 -9.2e-06 ] [ 1.56e-05 -2.03e-05 2.24e-05 ] [ 2e-07 3.23e-05 3.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.642382481215999e-14 7.04957713152e-15 -3.989419785791999e-14 ] [ 4.56620336928e-14 -8.17110076608e-15 -6.08827115904e-15 ] [ -6.4087064832e-15 -9.6130597248e-14 8.972189076479999e-15 ] [ 2.034764308416e-14 2.627569658112e-14 -4.678355732736e-14 ] [ -8.491536090240001e-15 5.175030485184e-14 -1.474002491136e-14 ] [ 2.499395528448e-14 -3.252418540224e-14 3.588875630592e-14 ] [ 3.2043532416e-16 5.175030485184e-14 6.264510587328001e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.303661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573440421244875e-18 } }