{ "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" [ [ 1.152391 0.2084818 1.476287 ] [ 0.2004725 1.985654 1.37487 ] [ 0.8976264 2.29727 2.845471 ] [ 1.752289 1.001076 2.997864 ] [ 1.785348 1.533822 0.3428561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.152391e-10 2.084818e-11 1.476287e-10 ] [ 2.004725e-11 1.985654e-10 1.37487e-10 ] [ 8.976264000000001e-11 2.29727e-10 2.845471e-10 ] [ 1.752289e-10 1.001076e-10 2.997864e-10 ] [ 1.785348e-10 1.533822e-10 3.428561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0805756 -50.843709 -0.2532507 ] [ -50.8484177 9.7169971 -40.7204889 ] [ -27.97223 92.2822704 43.6473199 ] [ 59.8197186 -69.5878524 31.2876122 ] [ 29.0815047 18.4322939 -33.9611926 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.615086268359053e-08 -8.146060254569549e-08 -4.057523540841437e-10 ] [ -8.146814671481202e-08 1.556834570626576e-08 -6.524141584063636e-08 ] [ -4.481645330687382e-08 1.478524973673498e-07 6.993071608050321e-08 ] [ 9.584175539337518e-08 -1.114920311255208e-07 5.012828120049333e-08 ] [ 4.659370731190118e-08 2.953179059760073e-08 -5.441182924649369e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 46.23665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.407928026443609e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9908816 -0.5410322 1.7403059 ] [ 0.248744 1.714155 1.012967 ] [ 0.9877751 2.8832111 3.075192 ] [ 1.7952343 0.5801351 3.9255378 ] [ 1.7654918 2.3898347 -0.7166546 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.908816e-11 -5.410322e-11 1.7403059e-10 ] [ 2.48744e-11 1.714155e-10 1.012967e-10 ] [ 9.877751e-11 2.8832111e-10 3.075192e-10 ] [ 1.7952343e-10 5.801351000000001e-11 3.9255378e-10 ] [ 1.7654918e-10 2.3898347e-10 -7.166546e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.16e-05 6.26e-05 -1.6e-05 ] [ -5.39e-05 -1.14e-05 2.01e-05 ] [ 4e-06 -2.78e-05 -5.8e-06 ] [ 7.8e-06 -6.3e-06 1.71e-05 ] [ 3.05e-05 -1.71e-05 -1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.85852489544e-14 1.002962572884e-13 -2.5634826144e-14 ] [ -8.635732057259999e-14 -1.82648136276e-14 3.22037503434e-14 ] [ 6.408706535999999e-15 -4.454051042519999e-14 -9.2926244772e-15 ] [ 1.24969777452e-14 -1.00937127942e-14 2.73972204414e-14 ] [ 4.886638733699999e-14 -2.73972204414e-14 -2.4833737827e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196954159838e-18 } }