{ "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" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.0849806 -15.124455 -21.9788269 ] [ -12.3508683 -5.8482978 10.0530394 ] [ -7.5822529 22.9068909 23.4194082 ] [ 23.2649852 -19.0918145 4.0804415 ] [ 9.7531165 17.1576764 -15.5740622 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.096445000094156e-08 -2.423204820334166e-08 -3.521396261179014e-08 ] [ -1.978827243683984e-08 -9.370006006636075e-09 1.610674469466126e-08 ] [ -1.2148108329373e-08 3.670088505519627e-08 3.752202829101181e-08 ] [ 3.727461537069801e-08 -3.058845884055045e-08 6.537587973842084e-09 ] [ 1.562621523623872e-08 2.748962799533191e-08 -2.495239834772501e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.3358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.976413035886464e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.841387 -0.191616 1.3905193 ] [ -0.3409075 1.1465929 2.9210787 ] [ 0.8554224 3.1507829 3.2096302 ] [ 2.7685735 0.9853998 0.7333757 ] [ 2.777114 3.0512306 1.8574376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.41387e-11 -1.91616e-11 1.3905193e-10 ] [ -3.409075e-11 1.1465929e-10 2.9210787e-10 ] [ 8.554224000000001e-11 3.1507829e-10 3.2096302e-10 ] [ 2.7685735e-10 9.853998e-11 7.333757e-11 ] [ 2.777114e-10 3.0512306e-10 1.8574376e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.59e-05 2.69e-05 3.3e-06 ] [ -5.8e-06 9.2e-06 3.2e-06 ] [ -1.73e-05 8.8e-06 1.3e-05 ] [ -4.5e-06 -8.7e-06 -1.67e-05 ] [ -8.3e-06 -3.63e-05 -2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.751814068672e-14 4.309855109952001e-14 5.28718284864e-15 ] [ -9.292624400640001e-15 1.474002491136e-14 5.126965186560001e-15 ] [ -2.771765553984e-14 1.409915426304e-14 2.08282960704e-14 ] [ -7.2097947936e-15 -1.393893660096e-14 -2.675634956736e-14 ] [ -1.329806595264e-14 -5.815901133504e-14 -4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.57084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853852933101747e-18 } }