{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9176256 1.3969794 1.1470605 ] [ 0.3684376 -0.5993679 -0.074974 ] [ -0.6487617 -0.8294316 -0.5891157 ] [ -1.474996 1.2455545 0.0420926 ] [ 0.8376945 -1.2137344 -0.5250634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.470198282967573e-09 2.238207734419212e-09 1.837793515743158e-09 ] [ 5.90302108943662e-10 -9.602932366379922e-10 -1.201215899678592e-10 ] [ -1.039430828210463e-09 -1.328895918072737e-09 -9.438674014862266e-10 ] [ -2.363204106973517e-09 1.995598299832233e-09 6.743977962868608e-11 ] [ 1.342134543272745e-09 -1.944616879540716e-09 -8.412443039177587e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.167377 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.590299344905964e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1240814 2.5668198 1.6084133 ] [ 2.0405044 1.4168435 3.7339914 ] [ 1.7381545 4.9214719 2.0010951 ] [ 0.5668663 3.2964042 3.3556255 ] [ 2.977041 3.6442436 3.6385797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1240814e-10 2.5668198e-10 1.6084133e-10 ] [ 2.0405044e-10 1.4168435e-10 3.7339914e-10 ] [ 1.7381545e-10 4.9214719e-10 2.0010951e-10 ] [ 5.668663000000001e-11 3.2964042e-10 3.3556255e-10 ] [ 2.977041e-10 3.6442436e-10 3.6385797e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 -5.2e-06 -5.33e-05 ] [ -4e-07 -4.55e-05 2.67e-05 ] [ -7.8e-06 3.94e-05 -3.83e-05 ] [ 1.56e-05 6.3e-06 2.64e-05 ] [ -9.4e-06 5.1e-06 3.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 -8.33131842816e-15 -8.539601388864e-14 ] [ -6.408706483200001e-16 -7.28990362464e-14 4.277811577536e-14 ] [ -1.249697764224e-14 6.312575885952001e-14 -6.136336457664001e-14 ] [ 2.499395528448e-14 1.009371271104e-14 4.229746278912e-14 ] [ -1.506046023552e-14 8.17110076608e-15 6.16837999008e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }