{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0068904 0.1581444 0.9739303 ] [ 1.486449 0.0094288 0.6635661 ] [ 1.283407 0.7092398 2.988588 ] [ 0.3149749 1.776241 2.685574 ] [ 2.9726 1.648627 0.444947 ] [ 2.196005 2.727691 2.654363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.8904e-13 1.581444e-11 9.739303e-11 ] [ 1.486449e-10 9.4288e-13 6.635661000000001e-11 ] [ 1.283407e-10 7.092398e-11 2.988588e-10 ] [ 3.149749e-11 1.776241e-10 2.685574e-10 ] [ 2.9726e-10 1.648627e-10 4.44947e-11 ] [ 2.196005e-10 2.727691e-10 2.654363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -131.1417993 20.8896469 20.188095 ] [ 124.232684 -24.4172526 -21.4527806 ] [ 94.4460251 -120.0659028 38.2716015 ] [ -95.8322163 99.987656 -33.4335006 ] [ 1.2051354 6.998129 -0.0325081 ] [ 7.090171 16.6077235 -3.5409072 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.101123248481058e-07 3.346890387994719e-08 3.234489382748938e-08 ] [ 1.990427018440342e-07 -3.912075125988802e-08 -3.43711435284718e-08 ] [ 1.5131921334271e-07 -1.923667824214053e-07 6.131786516387421e-08 ] [ -1.535401364753087e-07 1.601978848117928e-07 -5.356637301282278e-08 ] [ 1.930839762778456e-09 1.121223867314248e-08 -5.208371780662848e-11 ] [ 1.135970621367416e-08 2.660850631641075e-08 -5.67315873226239e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 61.583729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.866801082548297e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.5155903 0.7403385 0.6855927 ] [ 1.7821212 -0.2833387 0.8814898 ] [ 1.6660365 -0.2453883 3.4015779 ] [ 0.209605 1.7482425 2.8819493 ] [ 3.1762017 1.7374833 0.495134 ] [ 1.9419521 3.3320346 2.0652247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.155903e-11 7.403385e-11 6.855927000000001e-11 ] [ 1.7821212e-10 -2.833387e-11 8.814898e-11 ] [ 1.6660365e-10 -2.453883e-11 3.4015779e-10 ] [ 2.09605e-11 1.7482425e-10 2.8819493e-10 ] [ 3.1762017e-10 1.7374833e-10 4.95134e-11 ] [ 1.9419521e-10 3.3320346e-10 2.0652247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.21e-05 -4.6e-06 1e-06 ] [ -9.9e-06 -1.56e-05 9e-07 ] [ -5.1e-06 1.23e-05 -3.9e-06 ] [ -1e-06 2.1e-06 4e-07 ] [ 1.5e-06 1.21e-05 -1.04e-05 ] [ 2.3e-06 -6.3e-06 1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.938633711168e-14 -7.370012455680001e-15 1.6021766208e-15 ] [ -1.586154854592e-14 -2.499395528448e-14 1.44195895872e-15 ] [ -8.17110076608e-15 1.970677243584e-14 -6.24848882112e-15 ] [ -1.6021766208e-15 3.36457090368e-15 6.408706483200001e-16 ] [ 2.4032649312e-15 1.938633711168e-14 -1.666263685632e-14 ] [ 3.68500622784e-15 -1.009371271104e-14 1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.273917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767586596703968e-18 } }