{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3301013 0.8486727 -0.7899068 ] [ 3.2439583 1.2663244 -2.6200771 ] [ -4.8547887 -1.829562 4.0064122 ] [ 3.0152997 1.4056424 -2.2370603 ] [ -1.1168374 -3.1819674 -4.883833 ] [ -2.9639195 -0.1400846 -0.2820236 ] [ 1.3461862 1.6309745 6.8064886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.131057206155687e-09 1.359723558651212e-09 -1.265570207570942e-09 ] [ 5.197394147110113e-09 2.028875348028588e-09 -4.197826274313463e-09 ] [ -7.778228954064026e-09 -2.93128146270409e-09 6.418979960127893e-09 ] [ 4.831042684045254e-09 2.252087390485202e-09 -3.584165711979834e-09 ] [ -1.789370771515058e-09 -5.098073776427762e-09 -7.824763052491526e-09 ] [ -4.748722528833226e-09 -2.244402710541197e-10 -4.518516184338509e-10 ] [ 2.156828056883593e-09 2.61310921302097e-09 1.090519690466172e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -27.417297 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.392735225892998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2093167 1.7411093 3.5098619 ] [ 2.0788453 3.8199375 1.0276176 ] [ 1.2653409 3.8143358 3.2037766 ] [ 3.0141902 5.285617 3.3053726 ] [ 3.5518532 2.112063 1.6370019 ] [ 4.2556587 4.3634187 1.5994246 ] [ 4.0336381 3.2212158 3.6889067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2093167e-10 1.7411093e-10 3.5098619e-10 ] [ 2.0788453e-10 3.8199375e-10 1.0276176e-10 ] [ 1.2653409e-10 3.8143358e-10 3.2037766e-10 ] [ 3.0141902e-10 5.285617e-10 3.3053726e-10 ] [ 3.5518532e-10 2.112063e-10 1.6370019e-10 ] [ 4.2556587e-10 4.363418700000001e-10 1.5994246e-10 ] [ 4.0336381e-10 3.2212158e-10 3.6889067e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.66e-05 -1.75e-05 -2.08e-05 ] [ -6.33e-05 -3.98e-05 -3.75e-05 ] [ 4.44e-05 -1.17e-05 -1.34e-05 ] [ 1.71e-05 4.28e-05 2.4e-05 ] [ 1.08e-05 4.27e-05 4.92e-05 ] [ 1.32e-05 1.43e-05 -1.28e-05 ] [ 1.45e-05 -3.09e-05 1.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.863966432128e-14 -2.8038090864e-14 -3.332527371264e-14 ] [ -1.0141778009664e-13 -6.376662950784e-14 -6.008162327999999e-14 ] [ 7.113664196352e-14 -1.874546646336e-14 -2.146916671872e-14 ] [ 2.739722021568e-14 6.857315937023999e-14 3.84522388992e-14 ] [ 1.730350750464e-14 6.841294170816001e-14 7.882708974336e-14 ] [ 2.114873139456e-14 2.291112567744e-14 -2.050786074624e-14 ] [ 2.32315610016e-14 -4.950725758272e-14 1.826481347712e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.176908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.834873648563249e-18 } }