{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.176422 0.9630958 0.2610918 ] [ 1.3857832 -0.8233084 -0.4683394 ] [ 0.6849067 -1.9441562 1.0324822 ] [ -0.0140264 1.460803 -1.711677 ] [ -0.8802415 0.3435658 0.8864423 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.884835824594778e-09 1.543049574350673e-09 4.183151778425894e-10 ] [ 2.220269444537411e-09 -1.319085470188255e-09 -7.503624372794996e-10 ] [ 1.097341502169279e-09 -3.114881610823369e-09 1.65421884223215e-09 ] [ -2.247277015398912e-11 2.340464414194503e-09 -2.742408871761082e-09 ] [ -1.410302351957923e-09 5.504530924664487e-10 1.42023712874818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.873171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.222727023256056e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8423187 2.0743883 0.0117743 ] [ 0.2954081 2.2949144 2.2977249 ] [ 2.4584437 0.4417968 0.5559176 ] [ 1.9114624 0.6622561 2.8418562 ] [ 2.6114453 2.6476875 1.5987853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.423187e-11 2.0743883e-10 1.17743e-12 ] [ 2.954081e-11 2.2949144e-10 2.2977249e-10 ] [ 2.4584437e-10 4.417968e-11 5.559176e-11 ] [ 1.9114624e-10 6.622561e-11 2.8418562e-10 ] [ 2.6114453e-10 2.6476875e-10 1.5987853e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 1.98e-05 -0.0 ] [ -2.8e-06 -9.4e-06 -2.57e-05 ] [ -1.99e-05 -1.16e-05 6.2e-06 ] [ 2.91e-05 3.4e-06 8.6e-06 ] [ -8e-06 -2.2e-06 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 3.172309709184e-14 0.0 ] [ -4.48609453824e-15 -1.506046023552e-14 -4.117593915456e-14 ] [ -3.188331475392e-14 -1.858524880128e-14 9.93349504896e-15 ] [ 4.662333966527999e-14 5.44740051072e-15 1.377871893888e-14 ] [ -1.28174129664e-14 -3.52478856576e-15 1.746372516672e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }