{ "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" [ [ 0.09862 0.3102875 1.608695 ] [ 0.216089 2.435481 0.8089597 ] [ 1.587261 0.9923217 0.3598848 ] [ 2.442881 2.780277 0.9615339 ] [ 1.769015 1.574471 2.844855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.862e-12 3.102875e-11 1.608695e-10 ] [ 2.16089e-11 2.435481e-10 8.089597e-11 ] [ 1.587261e-10 9.923217e-11 3.598848e-11 ] [ 2.442881e-10 2.780277e-10 9.615339e-11 ] [ 1.769015e-10 1.574471e-10 2.844855e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4072677 -2.0113071 3.9838442 ] [ -4.1462187 4.0206128 0.9143584 ] [ 5.2051431 -6.2178296 -6.0789986 ] [ 2.9467712 4.4733839 1.6894985 ] [ -0.5984279 -0.2648599 -0.5087025 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.459044694722921e-09 -3.222469239418301e-09 6.382822090736422e-09 ] [ -6.642974720593856e-09 6.441731882521315e-09 1.464963663581626e-09 ] [ 8.339558651446325e-09 -9.962061299313566e-09 -9.739629515038712e-09 ] [ 4.721247962384141e-09 7.167151159491792e-09 2.706875019878049e-09 ] [ -9.587871985136885e-10 -4.243523430635765e-10 -8.150312591573849e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.129537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.904672056663846e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0714518 0.2547527 1.6932938 ] [ 0.2164819 2.4841327 0.9930205 ] [ 1.7781602 0.8254212 0.352879 ] [ 2.5169963 2.9823853 0.9402832 ] [ 1.6736794 1.5461463 2.6044519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.14518e-12 2.547527e-11 1.6932938e-10 ] [ 2.164819e-11 2.4841327e-10 9.930205e-11 ] [ 1.7781602e-10 8.254212e-11 3.52879e-11 ] [ 2.5169963e-10 2.9823853e-10 9.402832e-11 ] [ 1.6736794e-10 1.5461463e-10 2.6044519e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -9e-07 -5.29e-05 ] [ -4.22e-05 -3.5e-06 8e-06 ] [ -2.21e-05 -3.19e-05 -2.3e-06 ] [ 1.68e-05 -7e-06 8.6e-06 ] [ 4.52e-05 4.32e-05 3.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.685006258199999e-15 -1.4419589706e-15 -8.475514393859999e-14 ] [ -6.761185395480001e-14 -5.607618218999999e-15 1.2817413072e-14 ] [ -3.54081036114e-14 -5.11094346246e-14 -3.685006258199999e-15 ] [ 2.691656745119999e-14 -1.1215236438e-14 1.37787190524e-14 ] [ 7.24183838568e-14 6.92140305888e-14 6.18440180724e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.398784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.268245508681305e-18 } }