{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.284773 1.136187 2.117179 ] [ 0.232979 2.36751 0.607179 ] [ 0.4870779 2.766051 2.845032 ] [ 1.778488 1.070505 1.035652 ] [ 2.177899 0.7799475 2.527686 ] [ 2.528264 2.860392 0.629956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.84773e-11 1.136187e-10 2.117179e-10 ] [ 2.32979e-11 2.36751e-10 6.07179e-11 ] [ 4.870779e-11 2.766051e-10 2.845032e-10 ] [ 1.778488e-10 1.070505e-10 1.035652e-10 ] [ 2.177899e-10 7.799475000000001e-11 2.527686e-10 ] [ 2.528264e-10 2.860392e-10 6.29956e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.08809 -7.4287579 5.606691 ] [ -9.7569774 6.7192873 -9.7859684 ] [ 2.400657 7.3697762 3.7116364 ] [ 7.0266498 -8.8511036 -11.6580174 ] [ 9.8602408 1.4345669 5.4881082 ] [ 2.5575198 0.7562311 6.6375502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.936725534768906e-08 -1.190218232702291e-08 8.982909314258093e-09 ] [ -1.563240120874607e-08 1.076548510919295e-08 -1.567884991154236e-08 ] [ 3.846276551648537e-09 1.180768322544931e-08 5.946697113983878e-09 ] [ 1.125793412486077e-08 -1.418103137303328e-08 -1.867820307704543e-08 ] [ 1.579784741537346e-08 2.298429567089814e-09 8.792918722903798e-09 ] [ 4.097598464552354e-09 1.211615798324118e-09 1.063452783744202e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.246025 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.59852877437985e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1257392 0.6818787 2.2571959 ] [ 0.0353854 2.6009253 0.3869366 ] [ 0.8655629 2.836712 2.6270159 ] [ 1.6309011 0.8234821 0.6272049 ] [ 2.461125 1.059282 2.867286 ] [ 2.6222457 2.9783125 0.9970449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.257392e-11 6.818787e-11 2.2571959e-10 ] [ 3.53854e-12 2.6009253e-10 3.869366e-11 ] [ 8.655629e-11 2.836712e-10 2.6270159e-10 ] [ 1.6309011e-10 8.234821e-11 6.272049e-11 ] [ 2.461125e-10 1.059282e-10 2.867286e-10 ] [ 2.6222457e-10 2.9783125e-10 9.970449000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.31e-05 6.14e-05 -1.01e-05 ] [ -0.0001094 -6.6e-06 3.09e-05 ] [ -3.04e-05 0.000119 0.0001568 ] [ 0.0002323 -0.000118 -9.53e-05 ] [ -5.31e-05 -7.73e-05 1.05e-05 ] [ 1.36e-05 2.14e-05 -9.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.507557926539999e-14 9.83736453276e-14 -1.61819840034e-14 ] [ -1.752781237596e-13 -1.05743657844e-14 4.950725799059999e-14 ] [ -4.870616967359999e-14 1.90659019446e-13 2.512212962111999e-13 ] [ 3.721856320782e-13 -1.89056842812e-13 -1.526874332202e-13 ] [ -8.507557926539999e-14 -1.238482538082e-13 1.6822854657e-14 ] [ 2.17896022224e-14 3.42865799676e-14 -1.486819916352e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.159201 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.390077743630943e-18 } }