{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1119131 0.7073447 -3.8615977 ] [ 2.964362 3.0375002 -0.896052 ] [ -2.6672697 -2.6297885 -0.8016237 ] [ -0.0184482 -1.3971565 -0.4598794 ] [ 0.6553757 -3.6939986 8.2342123 ] [ -0.8073216 3.7507566 -2.3295152 ] [ -0.0147852 0.225342 0.1144557 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.793045538585054e-10 1.13329115052374e-09 -6.186961604848142e-09 ] [ 4.749431531117508e-09 4.866611846210327e-09 -1.435633577248968e-09 ] [ -4.273437189916189e-09 -4.213385687061908e-09 -1.284342761400626e-09 ] [ -2.95572749793588e-11 -2.238491498341221e-09 -7.368080291379395e-10 ] [ 1.050027633031394e-09 -5.918438242948712e-09 1.31926625464554e-08 ] [ -1.293471803643494e-09 6.009374584341284e-09 -3.732294821987837e-09 ] [ -2.36885019690168e-11 3.610376870588279e-10 1.833782481681138e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.683676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.993454912442658e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6583689 2.6036504 2.1024302 ] [ 2.7440969 4.6852144 3.7497377 ] [ 0.9353162 2.999542 3.8810811 ] [ 4.8121019 2.7449175 0.8254445 ] [ 3.1941674 2.3066106 4.5939493 ] [ 3.6905636 4.8564495 1.437282 ] [ 4.9245002 3.4556056 3.1945583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6583689e-10 2.6036504e-10 2.1024302e-10 ] [ 2.744096900000001e-10 4.6852144e-10 3.7497377e-10 ] [ 9.353162e-11 2.999542e-10 3.8810811e-10 ] [ 4.812101900000001e-10 2.7449175e-10 8.254445e-11 ] [ 3.1941674e-10 2.3066106e-10 4.5939493e-10 ] [ 3.6905636e-10 4.8564495e-10 1.437282e-10 ] [ 4.9245002e-10 3.4556056e-10 3.1945583e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.72e-05 -3.23e-05 2.47e-05 ] [ 1.96e-05 -2.8e-05 -1.49e-05 ] [ 2.6e-05 2.12e-05 -8.9e-06 ] [ 1.32e-05 2.49e-05 -1.03e-05 ] [ -1.73e-05 2.04e-05 -1.43e-05 ] [ -7.5e-06 -1.23e-05 2.64e-05 ] [ -1.67e-05 6.1e-06 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.75574381048e-14 -5.17503052782e-14 3.95737628598e-14 ] [ 3.140266202639999e-14 -4.486094575199999e-14 -2.38724318466e-14 ] [ 4.165659248399999e-14 3.39661446408e-14 -1.42593720426e-14 ] [ 2.11487315688e-14 3.989419818659999e-14 -1.65024193302e-14 ] [ -2.77176557682e-14 3.26844033336e-14 -2.29111258662e-14 ] [ -1.2016324755e-14 -1.97067725982e-14 4.22974631376e-14 ] [ -2.67563497878e-14 9.773277467399999e-15 -4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.591051 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.459267741570233e-18 } }