{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4573919 0.0917543 0.7301584 ] [ -0.8201016 1.4107077 0.1329433 ] [ 0.4007456 -2.2278124 -0.2394047 ] [ 0.0642476 1.4649258 -0.3862297 ] [ -2.5296517 -0.4776185 2.5594613 ] [ -0.4739504 -0.893604 0.035415 ] [ 1.9013185 0.631647 -2.8323435 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.334999248760864e-09 1.470065955290262e-10 1.169842727598826e-09 ] [ -1.313947621026014e-09 2.260202914343881e-09 2.129986489068522e-10 ] [ 6.420652364983104e-10 -3.569348972215461e-09 -3.835686164097797e-10 ] [ 1.029360035105784e-10 2.347069887303757e-09 -6.188082006968297e-10 ] [ -4.052948845898378e-09 -7.65229200666129e-10 4.100709090487264e-09 ] [ -7.593522565549534e-10 -1.431711448848936e-09 5.674108549311e-11 ] [ 3.046248074491928e-09 1.012010064336198e-09 -4.537914575161779e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.336731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.098085858614345e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5840812 2.5000891 1.9117973 ] [ 2.0505583 2.7485754 4.2928656 ] [ 2.0571103 0.3422821 4.3651604 ] [ 3.702248 0.3096323 2.5563152 ] [ 4.9857789 2.1883059 1.6604398 ] [ 4.1934381 1.4329414 4.783589 ] [ 4.2817911 3.5369835 3.5261847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5840812e-10 2.5000891e-10 1.9117973e-10 ] [ 2.0505583e-10 2.7485754e-10 4.2928656e-10 ] [ 2.0571103e-10 3.422821e-11 4.3651604e-10 ] [ 3.702248e-10 3.096323000000001e-11 2.5563152e-10 ] [ 4.9857789e-10 2.1883059e-10 1.6604398e-10 ] [ 4.1934381e-10 1.4329414e-10 4.783589000000001e-10 ] [ 4.2817911e-10 3.5369835e-10 3.5261847e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.48e-05 -2.45e-05 3.46e-05 ] [ 3.16e-05 1.49e-05 0.0 ] [ 2.7e-06 2.32e-05 -3.82e-05 ] [ 6.9e-06 -5.5e-06 1.92e-05 ] [ -2.85e-05 2.28e-05 3.79e-05 ] [ -4.4e-06 -1.12e-05 -2.18e-05 ] [ -2.3e-05 -1.98e-05 -3.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.37122141832e-14 -3.925332753299999e-14 5.54353115364e-14 ] [ 5.06287816344e-14 2.38724318466e-14 0.0 ] [ 4.3258769118e-15 3.71704979088e-14 -6.12031474188e-14 ] [ 1.10550187746e-14 -8.811971486999999e-15 3.076179137279999e-14 ] [ -4.5662034069e-14 3.65296272552e-14 6.072249442859999e-14 ] [ -7.0495771896e-15 -1.79443783008e-14 -3.492745062119999e-14 ] [ -3.6850062582e-14 -3.17230973532e-14 -5.078899929779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.361976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.422565880326878e-18 } }