{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.121983 -0.060009 -1.6023879 ] [ -0.2826058 -0.2527536 1.8586947 ] [ -0.9513952 0.6872919 -1.1150593 ] [ -0.1118426 0.0453804 -0.5446517 ] [ 0.4681543 -0.0213216 -0.5663158 ] [ 0.3062648 0.0412446 0.8532224 ] [ 0.6934074 -0.4398326 1.1164974 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.954383107350464e-10 -9.614501683758721e-11 -2.567308430832808e-09 ] [ -4.527844056624807e-10 -4.049559087430349e-10 2.97795719354487e-09 ] [ -1.52430314658134e-09 1.101163013845211e-09 -1.786521941265613e-09 ] [ -1.791915989294861e-10 7.270741592255231e-11 -8.726282202189753e-10 ] [ 7.500658743869895e-10 -3.416096903804928e-11 -9.073379347496487e-10 ] [ 4.906903023339879e-10 6.608113385424768e-11 1.367012981622866e-09 ] [ 1.110961124969714e-09 -7.046895087856781e-10 1.788826031463986e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.78749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490740710391379e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6141477 1.9323065 1.9289095 ] [ 1.924552 1.4666754 4.1834139 ] [ 2.9051955 3.892809 2.1640329 ] [ 3.5601186 0.6917664 1.6639254 ] [ 4.8428552 2.6396385 1.8976145 ] [ 4.3318524 1.3281099 3.8789758 ] [ 3.2073635 3.4145105 4.417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6141477e-10 1.9323065e-10 1.9289095e-10 ] [ 1.924552e-10 1.4666754e-10 4.1834139e-10 ] [ 2.9051955e-10 3.892809000000001e-10 2.1640329e-10 ] [ 3.5601186e-10 6.917664e-11 1.6639254e-10 ] [ 4.8428552e-10 2.6396385e-10 1.8976145e-10 ] [ 4.3318524e-10 1.3281099e-10 3.8789758e-10 ] [ 3.2073635e-10 3.4145105e-10 4.417e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-05 4.5e-06 1.38e-05 ] [ 7.1e-06 -1.04e-05 -1.64e-05 ] [ 2.7e-06 -1.9e-05 -3.3e-06 ] [ -2.45e-05 4.9e-06 6.8e-06 ] [ -7.5e-06 1.07e-05 5.8e-06 ] [ -9.7e-06 4.1e-06 -2.1e-06 ] [ 2e-06 5.1e-06 -4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-14 7.2097947936e-15 2.211003736704e-14 ] [ 1.137545400768e-14 -1.666263685632e-14 -2.627569658112e-14 ] [ 4.32587687616e-15 -3.04413557952e-14 -5.28718284864e-15 ] [ -3.92533272096e-14 7.850665441919999e-15 1.089480102144e-14 ] [ -1.2016324656e-14 1.714328984256e-14 9.292624400640001e-15 ] [ -1.554111322176e-14 6.568924145279999e-15 -3.36457090368e-15 ] [ 3.2043532416e-15 8.17110076608e-15 -7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }