{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0737822 -24.4444812 -1.5810872 ] [ -4.8809312 22.5833781 -2.8832704 ] [ 18.8716843 -8.6232763 -1.3162371 ] [ -18.8303422 -14.5575148 -6.0424642 ] [ 1.4000827 -7.3952095 -2.4703439 ] [ 1.1794131 23.5810828 4.4501106 ] [ 12.3338755 8.8560208 9.8432923 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.613997832387119e-08 -3.916437628622513e-08 -2.533180947286134e-09 ] [ -7.820113856373288e-09 3.618256041050673e-08 -4.619508426324664e-09 ] [ 3.023577138057841e-08 -1.381601168255873e-08 -2.108844309049592e-09 ] [ -3.016953403450364e-08 -2.332370986950999e-08 -9.681094873260976e-09 ] [ 2.24317976912654e-09 -1.184843176681806e-08 -3.957927241915893e-09 ] [ 1.889628095085253e-09 3.7781059555309e-08 7.129863163294262e-09 ] [ 1.976104696995791e-08 1.418890947907851e-08 1.577069279476066e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.557525 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.691501972851152e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4544727 2.5031257 3.2903036 ] [ 2.5258384 5.0979552 3.1713332 ] [ 6.2713615 2.67711 1.266022 ] [ 3.5984744 2.4942249 0.9481394 ] [ 4.9731796 1.533419 3.2048482 ] [ 4.7315596 4.7963785 1.7184639 ] [ 4.6954868 3.9071967 4.2453617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4544727e-10 2.5031257e-10 3.2903036e-10 ] [ 2.5258384e-10 5.0979552e-10 3.1713332e-10 ] [ 6.271361500000001e-10 2.67711e-10 1.266022e-10 ] [ 3.5984744e-10 2.4942249e-10 9.481394e-11 ] [ 4.9731796e-10 1.533419e-10 3.2048482e-10 ] [ 4.7315596e-10 4.7963785e-10 1.7184639e-10 ] [ 4.6954868e-10 3.9071967e-10 4.2453617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.01e-05 8.4e-05 8e-06 ] [ 2.13e-05 -2.15e-05 2.01e-05 ] [ -4.31e-05 2.91e-05 -1.42e-05 ] [ 5.64e-05 -2.6e-05 -3.65e-05 ] [ 5e-07 6.92e-05 4.7e-06 ] [ -2.31e-05 -8.66e-05 2.04e-05 ] [ -3.21e-05 -4.83e-05 -2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.220375007808e-14 1.345828361472e-13 1.28174129664e-14 ] [ 3.412636202304e-14 -3.44467973472e-14 3.220375007808e-14 ] [ -6.905381235648e-14 4.662333966527999e-14 -2.275090801536e-14 ] [ 9.036276141312001e-14 -4.16565921408e-14 -5.84794466592e-14 ] [ 8.010883104e-16 1.1087062215936e-13 7.53023011776e-15 ] [ -3.701027994048e-14 -1.3874849536128e-13 3.268440306432e-14 ] [ -5.142986952768e-14 -7.738513078464e-14 -3.84522388992e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.71534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.799616330232307e-18 } }