{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 681.241612 1106.5716161 -1516.6457934 ] [ -659.1856561 -813.0868164 1734.7292708 ] [ -232.9641425 77.1635663 -1578.7076194 ] [ 961.79965 -174.0807835 1366.6736757 ] [ -750.8914633 -196.5675824 -6.0495336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.091469383862505e-06 1.772923172556293e-06 -2.429934432220147e-06 ] [ -1.056131846970129e-06 -1.302708687916782e-06 2.779342681093192e-06 ] [ -3.732497025982197e-07 1.236296619034108e-07 -2.529368438881505e-06 ] [ 1.540972913123623e-06 -2.789081614542464e-07 2.189652611469342e-06 ] [ -1.203060747257562e-06 -3.149359849284575e-07 -9.692421300664061e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1462.1856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.34267958359042e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.4144141 1.2834617 0.448418 ] [ 0.216497 -0.175893 3.2113144 ] [ 3.1367031 1.7794915 -0.0568463 ] [ 3.6116495 3.1169289 2.3979421 ] [ 0.9738851 2.8592696 3.3402807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.144141e-11 1.2834617e-10 4.48418e-11 ] [ 2.16497e-11 -1.75893e-11 3.2113144e-10 ] [ 3.1367031e-10 1.7794915e-10 -5.684630000000001e-12 ] [ 3.6116495e-10 3.1169289e-10 2.3979421e-10 ] [ 9.738850999999999e-11 2.8592696e-10 3.3402807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.71e-05 3.08e-05 -1.74e-05 ] [ 2e-05 -1.81e-05 3.3e-06 ] [ 5.07e-05 -2.52e-05 2.6e-06 ] [ -5.6e-06 -6.1e-06 -3.94e-05 ] [ -3.8e-05 1.86e-05 5.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.341898642368e-14 4.934703992064001e-14 -2.787787320192e-14 ] [ 3.2043532416e-14 -2.899939683648e-14 5.28718284864e-15 ] [ 8.123035467456e-14 -4.037485084416e-14 4.16565921408e-15 ] [ -8.972189076479999e-15 -9.77327738688e-15 -6.312575885952001e-14 ] [ -6.08827115904e-14 2.980048514688e-14 8.17110076608e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.673165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870247205374083e-18 } }