{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.6878162 -1.7074873 9.4857869 ] [ -0.3693801 0.883 0.5176255 ] [ -5.4837774 4.4409958 -9.8159649 ] [ 9.9855565 -6.5943662 -4.6270973 ] [ 3.0737505 -3.178875 6.9708697 ] [ 0.453893 4.4966249 -9.2597501 ] [ 3.0277737 1.6601078 6.7285303 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.71237692430475e-08 -2.735696232372916e-09 1.519790600107091e-08 ] [ -5.91812160408766e-10 1.4147219561664e-09 8.293274744299103e-10 ] [ -8.78597994395141e-09 7.115259643830992e-09 -1.572690947337341e-08 ] [ 1.599862516997748e-08 -1.056533935463374e-08 -7.413427116226803e-09 ] [ 4.924691189272311e-09 -5.093119205445601e-09 1.116856445998311e-08 ] [ 7.272167529447743e-10 7.204387287287138e-09 -1.483575512467046e-08 ] [ 4.851028235213112e-09 2.659785905167722e-09 1.078029393900441e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.510692 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.68399849908296e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4770579 3.9468317 4.8370533 ] [ 1.4022312 4.3498345 2.457095 ] [ 3.3363981 3.1176985 1.4899216 ] [ 4.3778134 2.9062282 3.6237664 ] [ 4.8518405 0.602817 4.0739713 ] [ 5.0418099 4.7594993 0.7213824 ] [ 6.2867682 4.3757389 3.0202251 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4770579e-10 3.9468317e-10 4.837053300000001e-10 ] [ 1.4022312e-10 4.3498345e-10 2.457095e-10 ] [ 3.3363981e-10 3.1176985e-10 1.4899216e-10 ] [ 4.3778134e-10 2.9062282e-10 3.6237664e-10 ] [ 4.8518405e-10 6.028170000000001e-11 4.0739713e-10 ] [ 5.0418099e-10 4.7594993e-10 7.213824e-11 ] [ 6.2867682e-10 4.3757389e-10 3.0202251e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.09e-05 2.52e-05 -4e-06 ] [ -5e-07 -5.7e-06 -5.4e-06 ] [ -4e-07 2.5e-05 -2.62e-05 ] [ 0.0001069 -3.19e-05 1.65e-05 ] [ -1.37e-05 2.49e-05 -5.4e-06 ] [ -1.69e-05 -1.16e-05 3.49e-05 ] [ -5.45e-05 -2.59e-05 -1.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.348549137472e-14 4.037485084416e-14 -6.4087064832e-15 ] [ -8.010883104e-16 -9.13240673856e-15 -8.65175375232e-15 ] [ -6.408706483200001e-16 4.005441552e-14 -4.197702746496e-14 ] [ 1.7127268076352e-13 -5.110943420352001e-14 2.64359142432e-14 ] [ -2.194981970496e-14 3.989419785791999e-14 -8.65175375232e-15 ] [ -2.707678489152e-14 -1.858524880128e-14 5.591596406592e-14 ] [ -8.731862583360001e-14 -4.149637447872e-14 -1.666263685632e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.675903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.312644840052859e-18 } }