{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.0294057 -47.1610042 -34.3718657 ] [ -18.7291126 -34.2217063 7.7369004 ] [ -44.4782392 -24.1547548 43.3684463 ] [ -47.7418952 -12.3317809 -76.0750491 ] [ 29.8666559 83.217241 55.1579001 ] [ 0.3550881 33.5094082 -124.6824795 ] [ 76.6980972 1.142597 128.8661474 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.455819608258259e-09 -7.556025834269061e-08 -5.506979963781743e-08 ] [ -3.00073463360507e-08 -5.482921775774407e-08 1.239588093833817e-08 ] [ -7.12619949805901e-08 -3.870018342171657e-08 6.948391074228027e-08 ] [ -7.649094832212375e-08 -1.975769105080799e-08 -1.218856650942321e-07 ] [ 4.785165782445838e-08 1.333287179776792e-07 8.837269799264199e-08 ] [ 5.689138521442925e-10 5.368799039488382e-08 -1.997633536782753e-07 ] [ 1.228838981936859e-07 1.830642200396218e-09 2.064663285768467e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 64.87778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.039456623254058e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.4518425 2.6768771 1.3712433 ] [ 1.833333 0.2101627 3.2251271 ] [ 2.3987865 2.678054 4.5837933 ] [ 4.3283888 0.6396752 1.8376791 ] [ 5.2427095 2.0387881 3.9997274 ] [ 4.2491437 4.9641258 0.2718226 ] [ 4.2965899 4.631329 3.3457659 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4518425e-10 2.6768771e-10 1.3712433e-10 ] [ 1.833333e-10 2.101627e-11 3.2251271e-10 ] [ 2.3987865e-10 2.678054e-10 4.5837933e-10 ] [ 4.3283888e-10 6.396752e-11 1.8376791e-10 ] [ 5.2427095e-10 2.0387881e-10 3.9997274e-10 ] [ 4.249143700000001e-10 4.9641258e-10 2.718226e-11 ] [ 4.2965899e-10 4.631329e-10 3.3457659e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 6.4e-06 1.6e-06 ] [ 5e-07 2.6e-06 3.4e-06 ] [ 3.5e-06 -2.4e-06 -5.3e-06 ] [ 3.7e-06 4.2e-06 7e-06 ] [ -6.2e-06 -1.3e-06 -7.6e-06 ] [ -1.3e-06 -1.6e-06 -6.1e-06 ] [ -3.6e-06 -8e-06 6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.44740051072e-15 1.025393037312e-14 2.56348259328e-15 ] [ 8.010883104e-16 4.16565921408e-15 5.44740051072e-15 ] [ 5.6076181728e-15 -3.84522388992e-15 -8.491536090240001e-15 ] [ 5.928053496960001e-15 6.72914180736e-15 1.12152363456e-14 ] [ -9.93349504896e-15 -2.08282960704e-15 -1.217654231808e-14 ] [ -2.08282960704e-15 -2.56348259328e-15 -9.77327738688e-15 ] [ -5.76783583488e-15 -1.28174129664e-14 1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.913849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.870115005634146e-18 } }