{ "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" [ [ 0.9865114 1.002248 2.003773 ] [ 2.302262 0.4465448 0.4828732 ] [ 2.913212 0.9916658 2.458282 ] [ 2.765138 2.782808 0.4747325 ] [ 1.558206 2.989621 2.793764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.865114e-11 1.002248e-10 2.003773e-10 ] [ 2.302262e-10 4.465448e-11 4.828732e-11 ] [ 2.913212e-10 9.916658000000001e-11 2.458282e-10 ] [ 2.765138e-10 2.782808e-10 4.747325e-11 ] [ 1.558206e-10 2.989621e-10 2.793764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.9197076 -4.9816982 3.8941267 ] [ 2.230967 -4.959241 -11.6151284 ] [ 14.9969772 0.3447856 8.8916812 ] [ 3.5649613 4.6199211 -2.574576 ] [ 0.1268021 4.9762325 1.4038965 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.351706670683221e-08 -7.981560453679858e-09 6.239078808575527e-09 ] [ 3.574403198625078e-09 -7.945580052574791e-09 -1.860948732338981e-08 ] [ 2.402780645047074e-08 5.524074320596704e-10 1.424604385561708e-08 ] [ 5.711697695974264e-09 7.401929637343576e-09 -4.124925509657184e-09 ] [ 2.031593617621314e-10 7.972803436851404e-09 2.249290168854381e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1369851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.628180862426153e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5465147 0.74824 2.1783472 ] [ 2.4511769 0.742398 0.4602954 ] [ 3.0305129 0.6788913 2.9582559 ] [ 2.6102489 3.1252013 0.165477 ] [ 1.886876 2.918157 2.4510491 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.465147e-11 7.4824e-11 2.1783472e-10 ] [ 2.4511769e-10 7.423980000000001e-11 4.602954e-11 ] [ 3.0305129e-10 6.788913e-11 2.9582559e-10 ] [ 2.6102489e-10 3.1252013e-10 1.65477e-11 ] [ 1.886876e-10 2.918157e-10 2.4510491e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 -2.7e-06 3.3e-06 ] [ -6.6e-06 -1.4e-06 -3.6e-06 ] [ 2.5e-06 3.8e-06 5e-07 ] [ 7.8e-06 2.3e-06 2.9e-06 ] [ -4.5e-06 -2.1e-06 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1215236438e-15 -4.3258769118e-15 5.2871828922e-15 ] [ -1.05743657844e-14 -2.2430472876e-15 -5.767835882399999e-15 ] [ 4.005441585e-15 6.088271209199999e-15 8.010883169999999e-16 ] [ 1.24969777452e-14 3.685006258199999e-15 4.6463122386e-15 ] [ -7.209794853e-15 -3.364570931399999e-15 -5.1269652288e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426961303947e-18 } }