{ "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" [ [ 1.497272 0.041495 0.0459008 ] [ 0.5144624 2.623314 0.1336692 ] [ 0.1881884 1.665255 2.217108 ] [ 2.303156 0.3070008 2.474488 ] [ 2.009269 2.269424 0.9602388 ] [ 2.927445 2.103094 2.701001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.497272e-10 4.1495e-12 4.59008e-12 ] [ 5.144624e-11 2.623314e-10 1.336692e-11 ] [ 1.881884e-11 1.665255e-10 2.217108e-10 ] [ 2.303156e-10 3.070008e-11 2.474488e-10 ] [ 2.009269e-10 2.269424e-10 9.602388e-11 ] [ 2.927445e-10 2.103094e-10 2.701001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3488322 -0.0943328 1.0807613 ] [ -21.7054878 5.5280385 -12.5831497 ] [ -3.0617395 -1.6632018 2.7821083 ] [ -4.0148356 -12.5768663 -0.6161517 ] [ 20.4265164 -0.800437 -0.0558388 ] [ 8.0067142 9.6067994 9.3922706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.588907954222297e-10 -1.511378067346022e-10 1.731570487525415e-09 ] [ -3.477602509621963e-08 8.8568940435823e-09 -2.016042826536653e-08 ] [ -4.905447445879881e-09 -2.664743039632477e-09 4.457428874793632e-09 ] [ -6.43247573467554e-09 -2.01503611487874e-08 -9.871838486061753e-10 ] [ 3.272688702046778e-08 -1.28244144782329e-09 -8.946361989352703e-11 ] [ 1.282817030066737e-08 1.539178939939547e-08 1.504807637154719e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9674361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.116306322633793e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.812526 0.3290031 0.2015388 ] [ 0.2902965 2.2903144 0.3493018 ] [ -0.2697188 1.4577052 2.4075909 ] [ 1.7100959 0.2754719 2.5387517 ] [ 2.6520653 2.6556903 0.4611674 ] [ 3.244528 2.0013979 2.5740551 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.812526e-10 3.290031e-11 2.015388e-11 ] [ 2.902965e-11 2.2903144e-10 3.493018e-11 ] [ -2.697188e-11 1.4577052e-10 2.4075909e-10 ] [ 1.7100959e-10 2.754719e-11 2.5387517e-10 ] [ 2.6520653e-10 2.6556903e-10 4.611674e-11 ] [ 3.244528e-10 2.0013979e-10 2.5740551e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -1.17e-05 -3.8e-06 ] [ 1.08e-05 -4.8e-06 5.1e-06 ] [ 3e-06 2.4e-06 -3.9e-06 ] [ 0.0 1.42e-05 -5.1e-06 ] [ -1.57e-05 1e-05 -3.4e-06 ] [ 4.1e-06 -1.01e-05 1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 -1.874546646336e-14 -6.08827115904e-15 ] [ 1.730350750464e-14 -7.69044777984e-15 8.17110076608e-15 ] [ 4.8065298624e-15 3.84522388992e-15 -6.24848882112e-15 ] [ 0.0 2.275090801536e-14 -8.17110076608e-15 ] [ -2.515417294656e-14 1.6021766208e-14 -5.44740051072e-15 ] [ 6.568924145279999e-15 -1.618198387008e-14 1.778416049088e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.373205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.943711950016567e-18 } }