{ "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" [ [ 2.376748 2.356906 1.723048 ] [ 1.891208 1.427855 3.861744 ] [ 2.621896 4.609245 2.418974 ] [ 4.560356 2.199202 1.122098 ] [ 4.097908 2.987714 3.135416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.376748e-10 2.356906e-10 1.723048e-10 ] [ 1.891208e-10 1.427855e-10 3.861744e-10 ] [ 2.621896e-10 4.609245e-10 2.418974e-10 ] [ 4.560356e-10 2.199202e-10 1.122098e-10 ] [ 4.097908e-10 2.987714e-10 3.135416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.050295 -2.4399839 -2.7132094 ] [ -0.1549723 -0.370728 0.0003006 ] [ -1.1193291 2.9940792 0.0626162 ] [ 2.9754543 -1.5164737 -2.8818397 ] [ 4.349142 1.3331064 5.5321323 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.693641197943136e-09 -3.909285159708405e-09 -4.347040668014796e-09 ] [ -2.482929959316039e-10 -5.939717342759424e-10 4.8161429221248e-13 ] [ -1.793362915001105e-09 4.797043695063567e-09 1.00322211723337e-10 ] [ 4.76720331571883e-09 -2.429658708198073e-09 -4.617216192233286e-09 ] [ 6.968093632939354e-09 2.135871907118853e-09 8.86345303423253e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1724207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.287131518481971e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9883778 2.3726519 1.3975741 ] [ 2.3271557 1.5826272 3.6533284 ] [ 2.6178322 4.4755586 2.4020205 ] [ 4.3838781 2.0903775 1.3014205 ] [ 4.2308722 3.0597068 3.5069366 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9883778e-10 2.3726519e-10 1.3975741e-10 ] [ 2.3271557e-10 1.5826272e-10 3.6533284e-10 ] [ 2.6178322e-10 4.475558600000001e-10 2.4020205e-10 ] [ 4.3838781e-10 2.0903775e-10 1.3014205e-10 ] [ 4.230872200000001e-10 3.0597068e-10 3.5069366e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.56e-05 -7e-06 -2.17e-05 ] [ 1.2e-06 -2.31e-05 2e-06 ] [ 9.1e-06 1.98e-05 9e-06 ] [ -2.2e-06 -2.34e-05 -1.68e-05 ] [ 7.5e-06 3.36e-05 2.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.499395528448e-14 -1.12152363456e-14 -3.476723267136e-14 ] [ 1.92261194496e-15 -3.701027994048e-14 3.2043532416e-15 ] [ 1.457980724928e-14 3.172309709184e-14 1.44195895872e-14 ] [ -3.52478856576e-15 -3.749093292672001e-14 -2.691656722944e-14 ] [ 1.2016324656e-14 5.383313445888e-14 4.422007473408001e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.3509582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.337970998931805e-18 } }