{ "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" [ [ 0.7675101 -1.4060185 -3.1784511 ] [ -1.8976014 1.8596267 -0.8478431 ] [ 0.1350974 -1.2464654 3.8646989 ] [ -2.4834764 2.332667 -3.4264063 ] [ 0.329394 0.8748499 -0.3115394 ] [ 1.9375053 0.0219387 0.4404341 ] [ 1.2115709 -2.4365985 3.4591068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.22968673844787e-09 -2.252689969112285e-09 -5.092440042776044e-09 ] [ -3.040292598677349e-09 2.979450422155456e-09 -1.358394392926596e-09 ] [ 2.164498958108659e-10 -1.99705772251612e-09 6.191930224011477e-09 ] [ -3.978967826388549e-09 3.737344531511673e-09 -5.489708067221831e-09 ] [ 5.277473658317953e-10 1.401664056489218e-09 -4.991411431380596e-10 ] [ 3.10422569433609e-09 3.514967223074496e-11 7.056532180230893e-10 ] [ 1.941150570421615e-09 -3.90386115097635e-09 5.542100043810302e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.328937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.577490082871609e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8500694 1.6627079 0.829527 ] [ 0.9704739 2.652701 1.8489078 ] [ 1.6701484 1.6557596 3.866 ] [ 2.3574499 4.4784636 2.3920344 ] [ 3.817956 1.1108154 2.9518637 ] [ 4.3387586 3.2497406 1.8349396 ] [ 3.4446437 3.244481 4.1358814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8500694e-10 1.6627079e-10 8.29527e-11 ] [ 9.704739000000001e-11 2.652701e-10 1.8489078e-10 ] [ 1.6701484e-10 1.6557596e-10 3.866e-10 ] [ 2.357449900000001e-10 4.478463600000001e-10 2.3920344e-10 ] [ 3.817956e-10 1.1108154e-10 2.9518637e-10 ] [ 4.3387586e-10 3.2497406e-10 1.8349396e-10 ] [ 3.4446437e-10 3.244481e-10 4.1358814e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.53e-05 1.88e-05 5.2e-06 ] [ -1.8e-06 -2.5e-06 -7.6e-06 ] [ -1.44e-05 6.8e-06 1.98e-05 ] [ 6.6e-06 -1.04e-05 8.1e-06 ] [ 8.7e-06 -7.4e-06 -1e-07 ] [ -1.44e-05 -2.7e-06 -3.5e-06 ] [ -0.0 -2.5e-06 -2.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.451330229824e-14 3.012092047104e-14 8.33131842816e-15 ] [ -2.88391791744e-15 -4.005441552e-15 -1.217654231808e-14 ] [ -2.307134333952e-14 1.089480102144e-14 3.172309709184e-14 ] [ 1.057436569728e-14 -1.666263685632e-14 1.297763062848e-14 ] [ 1.393893660096e-14 -1.185610699392e-14 -1.6021766208e-16 ] [ -2.307134333952e-14 -4.32587687616e-15 -5.6076181728e-15 ] [ 0.0 -4.005441552e-15 -3.492745033344e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }