{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.0210157e-10 4.204662e-11 3.2422409e-10 ] [ 1.487454e-10 2.9999395e-10 6.108055e-11 ] [ 4.359949000000001e-11 2.6102049e-10 2.7688442e-10 ] [ 2.5212326e-10 9.758498e-11 1.655419e-11 ] [ 3.138287e-10 7.478543e-11 2.3798968e-10 ] [ 2.7999633e-10 3.0732636e-10 2.6336697e-10 ] ] "source-value" [ [ 1.0210157 0.4204662 3.2422409 ] [ 1.487454 2.9999395 0.6108055 ] [ 0.4359949 2.6102049 2.7688442 ] [ 2.5212326 0.9758498 0.1655419 ] [ 3.138287 0.7478543 2.3798968 ] [ 2.7999633 3.0732636 2.6336697 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.31650852931136e-12 -2.40598863145536e-12 7.71464064681408e-12 ] [ -2.11471292179392e-12 -3.70615495923456e-12 4.514933717414401e-12 ] [ 1.44067721742336e-12 8.27572289941824e-12 -7.64606748744384e-12 ] [ 4.72225537214592e-12 5.94984309900288e-12 5.46790837146624e-12 ] [ 4.7568623871552e-13 -8.683637067073921e-12 -1.006038743732736e-11 ] [ -5.84057465346432e-12 5.702146593427199e-13 9.13240673856e-15 ] ] "source-value" [ [ 0.0008217 -0.0015017 0.0048151 ] [ -0.0013199 -0.0023132 0.002818 ] [ 0.0008992 0.0051653 -0.0047723 ] [ 0.0029474 0.0037136 0.0034128 ] [ 0.0002969 -0.0054199 -0.0062792 ] [ -0.0036454 0.0003559 5.7e-06 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.926094255676588e-18 "source-value" -18.263244 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -6.40420116254231e-09 -3.403890048305182e-08 -5.344212165239714e-09 ] [ -6.337420726658383e-08 6.852053908348306e-09 -7.157036174913626e-08 ] [ -1.836067763239596e-08 2.507291759793016e-08 4.62182953163875e-08 ] [ 1.263702710501737e-09 -3.187295668206652e-09 -1.151997658736498e-08 ] [ 1.633548248406535e-08 -9.587968501372871e-08 3.953491519810612e-08 ] [ 7.0539900866955e-08 1.011809096587087e-07 2.681339987247345e-09 ] ] "source-value" [ [ -3.997188 -21.2454108 -3.3355949 ] [ -39.5550693 4.2767157 -44.6707066 ] [ -11.4598337 15.6492844 28.8471912 ] [ 0.7887412 -1.9893535 -7.1902039 ] [ 10.1958063 -59.8433929 24.6757534 ] [ 44.0275435 63.1521571 1.6735608 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.000710965309426e-18 "source-value" 24.970474 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] } "instance-id" 1 }