{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.828217 0.1280021 0.6886619 ] [ -4.129676 1.9901209 -0.5118132 ] [ -0.7877501 -0.7221774 0.4392602 ] [ -2.2732376 0.7804155 1.6247159 ] [ 1.6022762 -0.4177751 -1.7927474 ] [ 2.2482102 -1.4289491 0.3209228 ] [ 0.5119601 -0.3296369 -0.7690002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.531303155949114e-09 2.050819720333037e-10 1.103357995815708e-09 ] [ -6.61647033867886e-09 3.188525178545455e-09 -8.200151432568345e-10 ] [ -1.262114793252862e-09 -1.15705574635013e-09 7.037724228879321e-10 ] [ -3.642128136243502e-09 1.250363468609942e-09 2.603081830422031e-09 ] [ 2.567129467704265e-09 -6.693494979723821e-10 -2.872297971279986e-09 ] [ 3.602029821084092e-09 -2.289428840333201e-09 5.141750072416742e-10 ] [ 8.202505030024302e-10 -5.281365345329875e-10 -1.232074141830524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.618335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.745380388402237e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4031614 2.8318323 1.1585342 ] [ 1.686819 4.9881 2.0266712 ] [ 2.1269717 3.1211979 3.5577571 ] [ 4.6783317 2.9398825 0.636184 ] [ 4.4821513 2.9899281 2.9642633 ] [ 3.987476 5.0880808 1.2435483 ] [ 3.5366579 5.1287573 3.633406 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4031614e-10 2.8318323e-10 1.1585342e-10 ] [ 1.686819e-10 4.988100000000001e-10 2.0266712e-10 ] [ 2.1269717e-10 3.1211979e-10 3.5577571e-10 ] [ 4.678331700000001e-10 2.9398825e-10 6.36184e-11 ] [ 4.4821513e-10 2.9899281e-10 2.9642633e-10 ] [ 3.987476e-10 5.088080800000001e-10 1.2435483e-10 ] [ 3.5366579e-10 5.1287573e-10 3.633406e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-06 8.3e-06 -1.59e-05 ] [ -1.16e-05 8.4e-06 1.21e-05 ] [ 1.15e-05 -2.02e-05 4e-06 ] [ 1.38e-05 -5.2e-06 3.7e-06 ] [ -9.6e-06 -2.53e-05 8e-06 ] [ -8.4e-06 -4e-07 1.21e-05 ] [ 6.1e-06 3.44e-05 -2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.04413557952e-15 1.329806595264e-14 -2.547460827072e-14 ] [ -1.858524880128e-14 1.345828361472e-14 1.938633711168e-14 ] [ 1.84250311392e-14 -3.236396774016e-14 6.4087064832e-15 ] [ 2.211003736704e-14 -8.33131842816e-15 5.928053496960001e-15 ] [ -1.538089555968e-14 -4.053506850624e-14 1.28174129664e-14 ] [ -1.345828361472e-14 -6.408706483200001e-16 1.938633711168e-14 ] [ 9.77327738688e-15 5.511487575552001e-14 -3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }