{ "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" [ [ 0.4656555 2.854978 2.130075 ] [ 2.415045 0.7163998 1.216409 ] [ 1.531563 1.029003 2.475027 ] [ 2.019704 2.428405 0.6522284 ] [ 2.764103 2.749341 2.416687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.656555e-11 2.854978e-10 2.130075e-10 ] [ 2.415045e-10 7.163998000000001e-11 1.216409e-10 ] [ 1.531563e-10 1.029003e-10 2.475027e-10 ] [ 2.019704e-10 2.428405e-10 6.522284e-11 ] [ 2.764103e-10 2.749341e-10 2.416687e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -46.2529199 30.4217788 11.1221394 ] [ 36.8691521 -60.1047283 -42.2409461 ] [ -31.8527653 -36.473758 55.6432104 ] [ 3.4378773 29.7652129 -54.3804104 ] [ 37.7986557 36.3914947 29.8560067 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.410534690751508e-08 4.874106275650907e-08 1.781963171995854e-08 ] [ 5.907089352333922e-08 -9.629839048179612e-08 -6.767745628189294e-08 ] [ -5.103375587148951e-08 -5.843740234031696e-08 8.915025080913542e-08 ] [ 5.508086635239028e-09 4.768912822151457e-08 -8.712702217238919e-08 ] [ 6.056012246020866e-08 5.830560200430711e-08 4.783459592518816e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 60.728494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.729777330319307e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1651261 2.6209123 2.2462408 ] [ 2.5032719 0.3236058 1.1781781 ] [ 0.4882413 0.2232793 2.5467257 ] [ 2.1806609 2.7214231 0.8784008 ] [ 3.8587703 3.8889063 2.040881 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.651261e-11 2.6209123e-10 2.2462408e-10 ] [ 2.5032719e-10 3.236058e-11 1.1781781e-10 ] [ 4.882413e-11 2.232793e-11 2.5467257e-10 ] [ 2.1806609e-10 2.7214231e-10 8.784008e-11 ] [ 3.8587703e-10 3.8889063e-10 2.040881e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 4.4e-06 5.3e-06 ] [ 9.6e-06 5.9e-06 1.6e-06 ] [ -5.8e-06 -1.9e-06 -7e-07 ] [ 2.9e-06 8e-07 -3e-06 ] [ -9.1e-06 -9.2e-06 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.84522388992e-15 7.04957713152e-15 8.491536090240001e-15 ] [ 1.538089555968e-14 9.45284206272e-15 2.56348259328e-15 ] [ -9.292624400640001e-15 -3.04413557952e-15 -1.12152363456e-15 ] [ 4.646312200320001e-15 1.28174129664e-15 -4.8065298624e-15 ] [ -1.457980724928e-14 -1.474002491136e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }