{ "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" [ [ -3.4603972 -0.1553456 -4.046411 ] [ -2.0418285 -3.507249 4.4680179 ] [ 3.5281808 -2.0239963 0.6121795 ] [ 1.9542975 2.145389 -3.9312832 ] [ 0.0197473 3.5412019 2.8974968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.544167492521781e-09 -2.488910884641485e-10 -6.483065102347948e-09 ] [ -3.271369886383132e-09 -5.619232351124179e-09 7.158553820695913e-09 ] [ 5.652768791715441e-09 -3.242799552445702e-09 9.808196826330335e-10 ] [ 3.131129764587888e-09 3.437292098321492e-09 -6.298610032783811e-09 ] [ 3.163866238392384e-11 5.67363089371254e-09 4.642301631802814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.993757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.280741057775635e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4901518 1.0523972 0.5754736 ] [ 1.2683083 -0.2266942 2.4070319 ] [ 3.1710288 0.8660009 3.2917852 ] [ 1.9835899 2.8642863 0.2837288 ] [ 3.3300303 2.9733651 2.2269712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.901518000000001e-11 1.0523972e-10 5.754736000000001e-11 ] [ 1.2683083e-10 -2.266942e-11 2.4070319e-10 ] [ 3.1710288e-10 8.660009e-11 3.2917852e-10 ] [ 1.9835899e-10 2.8642863e-10 2.837288e-11 ] [ 3.3300303e-10 2.9733651e-10 2.2269712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.87e-05 -2.67e-05 5.9e-06 ] [ 1e-06 1.71e-05 -2.3e-05 ] [ -2.49e-05 -2.8e-06 2.46e-05 ] [ -5.15e-05 1.67e-05 -1.19e-05 ] [ 5.66e-05 -4.3e-06 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.996070280896e-14 -4.277811577536e-14 9.45284206272e-15 ] [ 1.6021766208e-15 2.739722021568e-14 -3.68500622784e-14 ] [ -3.989419785791999e-14 -4.48609453824e-15 3.941354487168e-14 ] [ -8.25120959712e-14 2.675634956736e-14 -1.906590178752e-14 ] [ 9.068319673728001e-14 -6.889359469440001e-15 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }