{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.5059157 11.8061189 0.0881629 ] [ -4.3571482 -1.5565159 5.3345945 ] [ -1.2781111 -3.4605163 -1.1599558 ] [ -0.0959573 -2.3695161 -9.8125073 ] [ 11.2550116 -2.0248629 -3.2653615 ] [ 4.3078444 -7.5933183 8.759735 ] [ 3.6742763 5.1986106 0.0553323 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.163886237703566e-08 1.891548768396501e-08 1.412525372019283e-10 ] [ -6.980920979400803e-09 -2.493813384883471e-09 8.546962589348265e-09 ] [ -2.047759723204971e-09 -5.544358311757319e-09 -1.858454063921361e-09 ] [ -1.537405426550918e-10 -3.796383298029195e-09 -1.572136978748933e-08 ] [ 1.80325164523528e-08 -3.244187998705289e-09 -5.231685853760419e-09 ] [ 6.901927583724203e-09 -1.21658370545528e-08 1.403464262140349e-08 ] [ 5.886839586219527e-09 8.32909236396306e-09 8.865211743509184e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -19.878275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.184850746683312e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4284292 2.7443592 1.6494967 ] [ 1.1224783 2.0365062 3.6857082 ] [ 3.14042 3.2541034 4.6322369 ] [ 1.4407316 4.47487 3.1930215 ] [ 4.9954832 2.4552225 1.876686 ] [ 3.4510187 1.1498096 3.3279447 ] [ 3.8952521 4.553318 2.640266 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4284292e-10 2.7443592e-10 1.6494967e-10 ] [ 1.1224783e-10 2.0365062e-10 3.6857082e-10 ] [ 3.140420000000001e-10 3.2541034e-10 4.6322369e-10 ] [ 1.4407316e-10 4.47487e-10 3.1930215e-10 ] [ 4.9954832e-10 2.4552225e-10 1.876686e-10 ] [ 3.4510187e-10 1.1498096e-10 3.327944700000001e-10 ] [ 3.8952521e-10 4.553318e-10 2.640266e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.91e-05 0.0001069 8.6e-05 ] [ -1.41e-05 2.43e-05 -4.06e-05 ] [ 9.24e-05 -6.14e-05 -0.0001811 ] [ 9.67e-05 9.4e-06 -1.46e-05 ] [ -5.04e-05 -5.39e-05 0.0001183 ] [ 6.49e-05 -9e-07 2.7e-05 ] [ -0.0002186 -2.44e-05 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.662333966527999e-14 1.7127268076352e-13 1.377871893888e-13 ] [ -2.259069035328e-14 3.893289188544e-14 -6.504837080448e-14 ] [ 1.4804111976192e-13 -9.837364451712e-14 -2.9015418602688e-13 ] [ 1.5493047923136e-13 1.506046023552e-14 -2.339177866368e-14 ] [ -8.074970168832e-14 -8.635731986112e-14 1.8953749424064e-13 ] [ 1.0398126268992e-13 -1.44195895872e-15 4.32587687616e-14 ] [ -3.5023580930688e-13 -3.909310954752e-14 8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }