{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.0469983 6.2758043 -1.8853172 ] [ 6.2159148 -1.7732639 5.8275086 ] [ 1.958361 -8.5424025 -6.6254678 ] [ 7.9017477 -37.8465987 -296.6143113 ] [ 4.2696846 -44.5761401 373.8830001 ] [ -26.3927064 86.4626009 -74.5854123 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.688359302277347e-09 1.005494692617611e-08 -3.020611140632117e-09 ] [ 9.958993369444709e-09 -2.841081963088629e-09 9.33669803643094e-09 ] [ 3.137640209286509e-09 -1.368643757096347e-08 -1.061516961102321e-08 ] [ 1.265999542840017e-08 -6.063693561393968e-08 -4.752285149595532e-07 ] [ 6.840788844309799e-09 -7.141884951372538e-08 5.990266016747841e-07 ] [ -4.228577715371854e-08 1.385283577355411e-07 -1.194990038397888e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 29.367941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.705262847123378e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.442776 0.7162046 2.2960343 ] [ 0.368487 1.9416246 0.4529587 ] [ 1.4824869 2.6716981 2.2238783 ] [ 2.2544628 0.9369436 1.0393587 ] [ 2.4362212 0.9585245 3.2403182 ] [ 2.3137115 2.9793224 0.2009681 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.427760000000001e-11 7.162046e-11 2.2960343e-10 ] [ 3.68487e-11 1.9416246e-10 4.529587e-11 ] [ 1.4824869e-10 2.6716981e-10 2.2238783e-10 ] [ 2.2544628e-10 9.369436e-11 1.0393587e-10 ] [ 2.4362212e-10 9.585245e-11 3.2403182e-10 ] [ 2.3137115e-10 2.9793224e-10 2.009681e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.79e-05 1.3e-06 -2.23e-05 ] [ -4.48e-05 4.61e-05 -4.06e-05 ] [ 4.4e-06 -2.8e-06 -0.0001113 ] [ -6.34e-05 -7.41e-05 9.27e-05 ] [ 2.02e-05 -1.93e-05 2.47e-05 ] [ -1.42e-05 4.89e-05 5.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.5685309117632e-13 2.08282960704e-15 -3.572853864384e-14 ] [ -7.177751261183999e-14 7.386034221888001e-14 -6.504837080448e-14 ] [ 7.04957713152e-15 -4.48609453824e-15 -1.7832225789504e-13 ] [ -1.0157799775872e-13 -1.1872128760128e-13 1.4852177274816e-13 ] [ 3.236396774016e-14 -3.092200878144e-14 3.957376253376001e-14 ] [ -2.275090801536e-14 7.834643675712001e-14 9.116384972352e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }