{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.395223 1.274794 -0.68948 ] [ 0.5967823 -0.6200983 0.2674708 ] [ -2.3470478 0.2790324 0.2120385 ] [ -1.2979249 -1.4840507 -1.9280534 ] [ 2.0152635 -1.385539 3.1655377 ] [ -0.0972415 2.1209027 2.2112175 ] [ 0.7349454 -0.1850411 -3.2387313 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.332170506024384e-10 2.042445143136115e-09 -1.104668736509184e-09 ] [ 9.56150648767252e-10 -9.935069988578246e-10 4.285354625066727e-10 ] [ -3.760385113060074e-09 4.47059187725714e-10 3.397231274095008e-10 ] [ -2.079504930334178e-09 -2.377711335621875e-09 -3.08908208113395e-09 ] [ 3.228808064451581e-09 -2.219878193006611e-09 5.071750495201004e-09 ] [ -1.557980578715232e-10 3.398060720931596e-09 3.542760982003824e-09 ] [ 1.177512337444504e-09 -2.964685243071149e-10 -5.189019569913191e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.05139 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.212586827254292e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4112068 1.8030982 2.270591 ] [ 1.8618206 4.0263359 1.5682612 ] [ 2.1951649 3.4292425 3.9065933 ] [ 3.6742228 1.2470873 1.9558389 ] [ 4.0495606 1.8749034 4.1906602 ] [ 4.1240891 3.4666341 1.2546754 ] [ 4.5001734 4.0981407 3.488332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4112068e-10 1.8030982e-10 2.270591e-10 ] [ 1.8618206e-10 4.026335900000001e-10 1.5682612e-10 ] [ 2.1951649e-10 3.4292425e-10 3.9065933e-10 ] [ 3.6742228e-10 1.2470873e-10 1.9558389e-10 ] [ 4.0495606e-10 1.8749034e-10 4.1906602e-10 ] [ 4.1240891e-10 3.4666341e-10 1.2546754e-10 ] [ 4.500173400000001e-10 4.0981407e-10 3.488332e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.4e-06 6e-07 4.9e-06 ] [ 1.29e-05 -1.36e-05 3.3e-06 ] [ -1.07e-05 -4e-06 2.13e-05 ] [ 1.9e-06 6.9e-06 -3.6e-06 ] [ -1.44e-05 -2e-07 5.7e-06 ] [ 1.28e-05 1.39e-05 -1.6e-05 ] [ 9e-07 -3.6e-06 -1.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.44740051072e-15 9.6130597248e-16 7.850665441919999e-15 ] [ 2.066807840832e-14 -2.178960204288e-14 5.28718284864e-15 ] [ -1.714328984256e-14 -6.4087064832e-15 3.412636202304e-14 ] [ 3.04413557952e-15 1.105501868352e-14 -5.76783583488e-15 ] [ -2.307134333952e-14 -3.2043532416e-16 9.13240673856e-15 ] [ 2.050786074624e-14 2.227025502912e-14 -2.56348259328e-14 ] [ 1.44195895872e-15 -5.76783583488e-15 -2.499395528448e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }