{ "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" [ [ 0.2482594 0.208506 0.7144033 ] [ 0.1842271 0.5542422 2.415306 ] [ 0.3347056 2.949491 0.3757933 ] [ 2.042519 0.2544893 1.784175 ] [ 2.203059 1.053322 2.694572 ] [ 1.978392 2.822156 1.26577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.482594e-11 2.08506e-11 7.144033e-11 ] [ 1.842271e-11 5.542422e-11 2.415306e-10 ] [ 3.347056e-11 2.949491e-10 3.757933e-11 ] [ 2.042519e-10 2.544893e-11 1.784175e-10 ] [ 2.203059e-10 1.053322e-10 2.694572e-10 ] [ 1.978392e-10 2.822156e-10 1.26577e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.1630948 -3.3296462 -11.2669571 ] [ -8.7175181 -0.862502 9.3597148 ] [ -4.6381693 0.69543 -2.917103 ] [ -7.0108661 -77.9499953 -85.409566 ] [ 19.8382474 75.8131822 89.8981385 ] [ 6.691401 5.6335313 0.3357729 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.874366400334051e-09 -5.334681297175561e-09 -1.805165525317657e-08 ] [ -1.396700369122084e-08 -1.381880539793242e-09 1.499591622991575e-08 ] [ -7.431166415772302e-09 1.114201687402944e-09 -4.673714227065542e-09 ] [ -1.123264575697928e-08 -1.248896600611299e-07 -1.368412098378746e-07 ] [ 3.178437618192639e-08 1.214661080692907e-07 1.440326957581404e-07 ] [ 1.072080624259774e-08 9.025912141405031e-09 5.379674902782163e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 15.389402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.465654009249276e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0504648 0.3551519 0.6122932 ] [ -0.1312674 0.6591773 3.0377571 ] [ 0.4575288 2.5993844 -0.0376935 ] [ 2.3462809 -0.3511301 1.1008837 ] [ 2.2318444 1.2979031 2.9108479 ] [ 2.0363106 3.2817199 1.6259312 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.04648e-12 3.551519000000001e-11 6.122932e-11 ] [ -1.312674e-11 6.591773e-11 3.0377571e-10 ] [ 4.575288000000001e-11 2.5993844e-10 -3.76935e-12 ] [ 2.3462809e-10 -3.511301e-11 1.1008837e-10 ] [ 2.2318444e-10 1.2979031e-10 2.9108479e-10 ] [ 2.0363106e-10 3.2817199e-10 1.6259312e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.86e-05 -4.96e-05 -6.74e-05 ] [ -3.79e-05 5.5e-05 3.36e-05 ] [ 8.8e-06 6.6e-06 5.55e-05 ] [ 6.45e-05 -4.7e-06 -1.44e-05 ] [ 1.69e-05 2.3e-06 5e-07 ] [ -3.7e-06 -9.7e-06 -7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.786578377088e-14 -7.946796039168e-14 -1.0798670424192e-13 ] [ -6.072249392832e-14 8.8119714144e-14 5.383313445888e-14 ] [ 1.409915426304e-14 1.057436569728e-14 8.892080245440001e-14 ] [ 1.033403920416e-13 -7.53023011776e-15 -2.307134333952e-14 ] [ 2.707678489152e-14 3.68500622784e-15 8.010883104e-16 ] [ -5.928053496960001e-15 -1.554111322176e-14 -1.265719530432e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }