{ "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" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2411405 -15.3538861 -10.7816673 ] [ -3.2931171 -7.2996147 13.2098551 ] [ -15.3279789 12.8503144 -5.7036088 ] [ 15.783445 1.3178434 -17.4485746 ] [ 9.0787915 8.485343 20.7239956 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.999409396228022e-09 -2.459963734784609e-08 -1.727413528130386e-08 ] [ -5.276155227176696e-09 -1.169527201318801e-08 2.116452100537565e-08 ] [ -2.45581294376957e-08 2.058847330160958e-08 -9.138188673549142e-09 ] [ 2.528786657468266e-08 2.111417885355583e-09 -2.795569829040471e-08 ] [ 1.454582748641776e-08 1.359501817406893e-08 3.320350123988207e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.278183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.287617099010401e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8236217 0.5030837 0.075696 ] [ 1.2781191 0.3547438 2.5876956 ] [ 0.1336552 2.884947 0.6996999 ] [ 3.1537033 1.5563775 0.0748261 ] [ 2.2200297 2.6942965 2.1657836 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.236217e-11 5.030837e-11 7.5696e-12 ] [ 1.2781191e-10 3.547438e-11 2.5876956e-10 ] [ 1.336552e-11 2.884947e-10 6.996999000000001e-11 ] [ 3.1537033e-10 1.5563775e-10 7.48261e-12 ] [ 2.2200297e-10 2.6942965e-10 2.1657836e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -9.7e-06 -5.6e-06 ] [ -1.1e-06 -3.7e-06 3.6e-06 ] [ -7.4e-06 6.7e-06 -2.2e-06 ] [ 7.9e-06 -0.0 -4.8e-06 ] [ 5.6e-06 6.7e-06 9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-15 -1.554111322176e-14 -8.972189076479999e-15 ] [ -1.76239428288e-15 -5.928053496960001e-15 5.76783583488e-15 ] [ -1.185610699392e-14 1.073458335936e-14 -3.52478856576e-15 ] [ 1.265719530432e-14 0.0 -7.69044777984e-15 ] [ 8.972189076479999e-15 1.073458335936e-14 1.44195895872e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.4498528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.033380336376142e-18 } }