{ "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" [ [ -1.4927247 2.5026439 -3.4991958 ] [ -1.2581026 -1.6689802 3.3072359 ] [ 3.3118226 1.0550861 -0.1803175 ] [ 0.3751976 -1.2608646 -1.9308582 ] [ -0.9361929 -0.6278852 2.3031356 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.391608615630694e-09 4.009677546767733e-09 -5.606329702361553e-09 ] [ -2.015702572287694e-09 -2.674001057018108e-09 5.298776038450447e-09 ] [ 5.30612474195707e-09 1.690434282351051e-09 -2.889004828211039e-10 ] [ 6.011328229002701e-10 -2.020127784114344e-09 -3.093575866119971e-09 ] [ -1.499946376938952e-09 -1.005982987986332e-09 3.690030012852181e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.843275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.897501831870512e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5797644 1.5597287 0.8887666 ] [ 1.3391373 0.3003143 2.7355323 ] [ 3.5681713 0.8730999 2.2095876 ] [ 2.8087991 2.1325227 0.3628304 ] [ 1.9472372 2.6636896 2.5882738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.797644e-11 1.5597287e-10 8.887666e-11 ] [ 1.3391373e-10 3.003143e-11 2.7355323e-10 ] [ 3.5681713e-10 8.730999e-11 2.2095876e-10 ] [ 2.8087991e-10 2.1325227e-10 3.628304e-11 ] [ 1.9472372e-10 2.6636896e-10 2.5882738e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -6.8e-06 1.01e-05 ] [ -1.64e-05 -2.6e-06 -6.6e-06 ] [ 1.36e-05 3e-06 -1.8e-06 ] [ 7.8e-06 0.0 -4.3e-06 ] [ -1e-07 6.3e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-15 -1.089480102144e-14 1.618198387008e-14 ] [ -2.627569658112e-14 -4.16565921408e-15 -1.057436569728e-14 ] [ 2.178960204288e-14 4.8065298624e-15 -2.88391791744e-15 ] [ 1.249697764224e-14 0.0 -6.889359469440001e-15 ] [ -1.6021766208e-16 1.009371271104e-14 4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }