{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1861312 -4.5480398 -3.934156 ] [ 0.8550235 -3.2813052 3.3908883 ] [ 1.0275082 1.9403314 1.918452 ] [ 0.1915519 5.3053326 1.9346526 ] [ 0.6286471 -3.2099207 -0.6825851 ] [ 4.056932 2.2646096 -1.9078444 ] [ -6.5735314 1.5289921 -0.7194074 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.982150594983807e-10 -7.286763098062032e-09 -6.303212817710903e-09 ] [ 1.369898673220899e-09 -5.257230520462696e-09 5.432802002763981e-09 ] [ 1.646249629283399e-09 3.108753631296507e-09 3.073698967850567e-09 ] [ 3.068999783783046e-10 8.500079927318468e-09 3.099655190627348e-09 ] [ 1.007203694651861e-09 -5.142859942532924e-09 -1.093621897936553e-09 ] [ 6.499921656126887e-09 3.628304586252086e-09 -3.05670371898775e-09 ] [ -1.053195841194531e-08 2.449715416190591e-09 -1.152617726606692e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.140559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.38709096594984e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4033146 0.9961327 1.9345153 ] [ 1.3430869 1.093843 4.1379931 ] [ 1.9494958 3.1094077 5.6014684 ] [ 2.2547271 3.2390767 3.0658557 ] [ 4.5608278 -0.0079606 2.7212308 ] [ 4.4382981 2.5035947 2.1412244 ] [ 3.7777346 1.7033484 4.4467683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4033146e-10 9.961327e-11 1.9345153e-10 ] [ 1.3430869e-10 1.093843e-10 4.1379931e-10 ] [ 1.9494958e-10 3.1094077e-10 5.601468400000001e-10 ] [ 2.2547271e-10 3.2390767e-10 3.0658557e-10 ] [ 4.5608278e-10 -7.9606e-13 2.7212308e-10 ] [ 4.4382981e-10 2.5035947e-10 2.1412244e-10 ] [ 3.7777346e-10 1.7033484e-10 4.446768299999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.97e-05 1.61e-05 5.57e-05 ] [ 1.86e-05 1.37e-05 1.21e-05 ] [ -6.8e-06 2.4e-06 -3.38e-05 ] [ 6.8e-06 -4.21e-05 -2.4e-06 ] [ -3.3e-05 5.82e-05 -1.72e-05 ] [ 1e-07 -2.68e-05 5.79e-05 ] [ -5.3e-06 -2.14e-05 -7.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.15628796898e-14 2.579504380739999e-14 8.924123851379999e-14 ] [ 2.98004853924e-14 2.19498198858e-14 1.93863372714e-14 ] [ -1.08948011112e-14 3.845223921599999e-15 -5.415357022919999e-14 ] [ 1.08948011112e-14 -6.745163629139998e-14 -3.845223921599999e-15 ] [ -5.287182892199999e-14 9.324668009879999e-14 -2.75574381048e-14 ] [ 1.602176634e-16 -4.293833379119999e-14 9.276602710859999e-14 ] [ -8.4915361602e-15 -3.42865799676e-14 -1.158373706382e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.727544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.961789321300689e-18 } }