{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.8374978 -7.1687391 -0.9938009 ] [ -8.1232688 8.0818363 -6.4710687 ] [ 3.3805154 0.1233484 8.8762017 ] [ -2.0051094 2.4405473 1.3981585 ] [ 2.5692128 -1.9388926 -0.9323564 ] [ 0.6319345 -0.0441325 -0.3763145 ] [ -3.2907824 -1.4939676 -1.5008197 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.095487911993144e-08 -1.148558618663483e-08 -1.592244567709999e-09 ] [ -1.301491135583407e-08 1.294852917299278e-08 -1.036779498273065e-08 ] [ 5.416182740134361e-09 1.976259226930867e-10 1.422124284524521e-08 ] [ -3.212539402826315e-09 3.910187826016564e-09 2.240096860872797e-09 ] [ 4.116332682020107e-09 -3.106448393962126e-09 -1.493799626333253e-09 ] [ 1.012470681776937e-09 -7.0708059717456e-11 -6.029222939680416e-10 ] [ -5.272414625420115e-09 -2.393599960952686e-09 -2.40457823537607e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.932531 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.911802219517125e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1955684 1.3010619 2.044927 ] [ 1.588219 3.4773228 2.1380498 ] [ 1.9603396 1.913657 4.1384852 ] [ 3.029995 5.1390818 3.2588503 ] [ 4.7531492 3.368267 2.5218362 ] [ 3.3919877 3.2201203 0.3392258 ] [ 3.736464 3.3747842 4.8904624 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1955684e-10 1.3010619e-10 2.044927e-10 ] [ 1.588219e-10 3.4773228e-10 2.1380498e-10 ] [ 1.9603396e-10 1.913657e-10 4.1384852e-10 ] [ 3.029995e-10 5.1390818e-10 3.2588503e-10 ] [ 4.753149200000001e-10 3.368267e-10 2.5218362e-10 ] [ 3.3919877e-10 3.2201203e-10 3.392258e-11 ] [ 3.736464e-10 3.3747842e-10 4.8904624e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.6e-06 7.6e-06 2.3e-06 ] [ 1.06e-05 -1.5e-06 5.6e-06 ] [ -5.7e-06 3.1e-06 1.13e-05 ] [ 1.2e-06 -1.97e-05 8e-07 ] [ -2.8e-06 -7.8e-06 -8.2e-06 ] [ -1e-06 1.04e-05 -1.54e-05 ] [ -9.8e-06 7.8e-06 3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.217654231808e-14 1.217654231808e-14 3.68500622784e-15 ] [ 1.698307218048e-14 -2.4032649312e-15 8.972189076479999e-15 ] [ -9.13240673856e-15 4.96674752448e-15 1.810459581504e-14 ] [ 1.92261194496e-15 -3.156287942976e-14 1.28174129664e-15 ] [ -4.48609453824e-15 -1.249697764224e-14 -1.313784829056e-14 ] [ -1.6021766208e-15 1.666263685632e-14 -2.467351996032e-14 ] [ -1.570133088384e-14 1.249697764224e-14 5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.988725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.721893801220048e-18 } }