{ "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" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.3874667 -13.5697339 -2.0929381 ] [ -35.6140162 -0.483696 -34.0337497 ] [ -6.927264 13.4295007 15.6943015 ] [ -1.9566626 1.4095441 -1.8250953 ] [ 1.4448164 -59.4076642 18.9328934 ] [ 38.6656597 58.6220493 3.3245881 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.029496629193087e-09 -2.174111058417769e-08 -3.353256520228355e-09 ] [ -5.705994459853747e-08 -7.749664291592639e-10 -5.45280785367445e-08 ] [ -1.109870051834937e-08 2.151643222782664e-08 2.514504315025115e-08 ] [ -3.134919098341688e-09 2.258338621612559e-09 -2.92412504448322e-09 ] [ 2.314851076499997e-09 -9.518157146175828e-08 3.033383941949281e-08 ] [ 6.194921650953545e-08 9.392287762565605e-08 5.326577371494455e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 11.096524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.777859147142021e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8207328 0.2916884 3.3004685 ] [ 1.4342875 3.0596633 0.8467746 ] [ 0.340065 2.0413993 2.6810968 ] [ 2.5005642 0.8386601 0.0054206 ] [ 3.0000998 1.3482764 2.5240714 ] [ 3.3081981 3.2478908 2.4431669 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.207328e-11 2.916884e-11 3.3004685e-10 ] [ 1.4342875e-10 3.0596633e-10 8.467746e-11 ] [ 3.40065e-11 2.0413993e-10 2.6810968e-10 ] [ 2.5005642e-10 8.386601e-11 5.4206e-13 ] [ 3.0000998e-10 1.3482764e-10 2.5240714e-10 ] [ 3.3081981e-10 3.2478908e-10 2.4431669e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.65e-05 -5.56e-05 0.0001041 ] [ -4e-06 -6.26e-05 4.41e-05 ] [ 9.37e-05 7.86e-05 -0.000139 ] [ -1.93e-05 4.58e-05 -1.13e-05 ] [ -5e-05 0.000112 -4.71e-05 ] [ -4.69e-05 -0.0001182 4.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.2457680801e-14 -8.908102085039999e-14 1.667865875994e-13 ] [ -6.408706535999999e-15 -1.002962572884e-13 7.06559895594e-14 ] [ 1.501239506058e-13 1.259310834324e-13 -2.22702552126e-13 ] [ -3.09220090362e-14 7.33796898372e-14 -1.81045959642e-14 ] [ -8.010883169999999e-14 1.79443783008e-13 -7.546251946139999e-14 ] [ -7.514208413459999e-14 -1.893772781388e-13 7.882709039280001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.061282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252865746448479e-18 } }