{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.8827452 10.7384227 -25.1867185 ] [ -8.4680879 -13.6491597 25.7312174 ] [ 20.5146148 -0.7573323 1.0936405 ] [ 6.5943734 1.5767887 -16.9757958 ] [ -4.7581551 2.0912806 15.3376564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.224260979196342e-08 1.720484979420801e-08 -4.035357153537085e-08 ] [ -1.356737245625937e-08 -2.186836456490554e-08 4.122595494300216e-08 ] [ 3.286803621727767e-08 -1.213380105236692e-09 1.752205240660022e-09 ] [ 1.056535089030541e-08 2.526293991081625e-09 -2.719822315023483e-08 ] [ -7.623404859360285e-09 3.350600884852597e-09 2.457363450194349e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.7098094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.739416646704075e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0769357 0.7775467 1.3218849 ] [ 0.2301521 0.0186421 3.4619505 ] [ 3.6646829 0.4244404 1.9216081 ] [ 2.976102 3.5893286 -0.0387098 ] [ 2.2952365 2.7193973 2.118257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0769357e-10 7.775467000000001e-11 1.3218849e-10 ] [ 2.301521e-11 1.86421e-12 3.4619505e-10 ] [ 3.6646829e-10 4.244404e-11 1.9216081e-10 ] [ 2.976102e-10 3.5893286e-10 -3.870980000000001e-12 ] [ 2.2952365e-10 2.7193973e-10 2.118257e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-05 5.3e-06 1.9e-06 ] [ -2.53e-05 -2.72e-05 2.4e-05 ] [ 2.77e-05 1.77e-05 -8.6e-06 ] [ 2.49e-05 6.8e-06 -1.16e-05 ] [ -4e-07 -2.7e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-14 8.491536090240001e-15 3.04413557952e-15 ] [ -4.053506850624e-14 -4.357920408576e-14 3.84522388992e-14 ] [ 4.438029239616e-14 2.835852618816e-14 -1.377871893888e-14 ] [ 3.989419785791999e-14 1.089480102144e-14 -1.858524880128e-14 ] [ -6.408706483200001e-16 -4.32587687616e-15 -9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.457292 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835660538007888e-18 } }