{ "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" [ [ 2.448876 1.489587 3.211478 ] [ 1.818052 3.686595 2.502768 ] [ 2.645526 3.343853 4.556562 ] [ 4.834539 1.578647 2.504909 ] [ 4.649923 2.062861 4.836234 ] [ 4.865091 3.729921 2.57452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.448876e-10 1.489587e-10 3.211478e-10 ] [ 1.818052e-10 3.686595e-10 2.502768e-10 ] [ 2.645526e-10 3.343853e-10 4.556562e-10 ] [ 4.834539e-10 1.578647e-10 2.504909e-10 ] [ 4.649923e-10 2.062861e-10 4.836234000000001e-10 ] [ 4.865090999999999e-10 3.729921e-10 2.57452e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8771362 -0.6255484 0.2841028 ] [ 2.6618855 -0.3729111 -0.631974 ] [ 0.904985 1.2652192 0.9972884 ] [ -0.1303109 -2.1437608 -0.2659496 ] [ -1.1164943 0.8978521 -2.8420905 ] [ -3.1972015 0.9791489 2.458623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.405327112897353e-09 -1.002239021658847e-09 4.551828640638182e-10 ] [ 4.264810715346519e-09 -5.974694460568109e-10 -1.012533967753459e-09 ] [ 1.449945809174688e-09 2.027104622427279e-09 1.597832158675039e-09 ] [ -2.087810774154067e-10 -3.434683434347505e-09 -4.260982314311117e-10 ] [ -1.788821064716461e-09 1.438517643556184e-09 -4.553530953297782e-09 ] [ -5.122481495286692e-09 1.568769475862037e-09 3.939148289961158e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.79148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.811815303023078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5936915 1.4745008 3.276626 ] [ 2.0795559 3.6531945 2.3854238 ] [ 2.7347904 3.5404372 4.6270592 ] [ 4.8394928 1.4185432 2.4056889 ] [ 4.5730353 2.0520594 4.6405557 ] [ 4.4414411 3.7527289 2.8511174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5936915e-10 1.4745008e-10 3.276626e-10 ] [ 2.0795559e-10 3.6531945e-10 2.3854238e-10 ] [ 2.7347904e-10 3.5404372e-10 4.6270592e-10 ] [ 4.839492800000001e-10 1.4185432e-10 2.4056889e-10 ] [ 4.5730353e-10 2.0520594e-10 4.6405557e-10 ] [ 4.4414411e-10 3.7527289e-10 2.8511174e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 -4.4e-06 -1.09e-05 ] [ -1.83e-05 1.21e-05 3.5e-06 ] [ 6.4e-06 8.7e-06 -4.7e-06 ] [ 1.26e-05 -2.21e-05 -7e-07 ] [ 2.1e-06 2e-06 3.4e-06 ] [ -7.7e-06 3.8e-06 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 -7.04957713152e-15 -1.746372516672e-14 ] [ -2.931983216064e-14 1.938633711168e-14 5.6076181728e-15 ] [ 1.025393037312e-14 1.393893660096e-14 -7.53023011776e-15 ] [ 2.018742542208e-14 -3.540810331968e-14 -1.12152363456e-15 ] [ 3.36457090368e-15 3.2043532416e-15 5.44740051072e-15 ] [ -1.233675998016e-14 6.08827115904e-15 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.320379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.216989588439529e-18 } }