{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.147227 2.362862 2.450911 ] [ 2.622761 1.752099 4.557796 ] [ 1.686581 4.667086 2.204349 ] [ 1.229897 3.438837 4.460251 ] [ 4.850673 1.640741 2.950795 ] [ 3.668046 3.670667 2.833872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.147227e-10 2.362862e-10 2.450911e-10 ] [ 2.622761e-10 1.752099e-10 4.557796e-10 ] [ 1.686581e-10 4.667086e-10 2.204349e-10 ] [ 1.229897e-10 3.438837e-10 4.460251000000001e-10 ] [ 4.850672999999999e-10 1.640741e-10 2.950795e-10 ] [ 3.668046e-10 3.670667e-10 2.833872e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6134419 -3.1864215 -2.1816623 ] [ 1.4398146 -2.4561269 1.4599429 ] [ -1.2116912 1.2769894 -0.1749449 ] [ -2.1566149 1.8213585 0.7212695 ] [ -0.3047567 0.1052486 0.2728813 ] [ 4.8466901 2.4389519 -0.0974865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.187195511999132e-09 -5.105210031314466e-09 -3.495408331540756e-09 ] [ 2.306837290406504e-09 -3.93514909689798e-09 2.339086382082952e-09 ] [ -1.941343312269097e-09 2.045962561689419e-09 -2.802926287081939e-10 ] [ -3.45527797284893e-09 2.918138006795357e-09 1.155601130196106e-09 ] [ -4.882740597721593e-10 1.686268462919309e-10 4.37204039113511e-10 ] [ 7.765253566482814e-09 3.907631713435739e-09 -1.561905911436192e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.472973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.838172911166964e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1109329 1.8385834 2.142729 ] [ 2.3345028 1.5450947 4.5339589 ] [ 1.859336 4.1092079 2.4650334 ] [ 1.3878566 3.7267187 4.6878081 ] [ 4.3643512 1.9861682 3.011288 ] [ 4.1482055 4.3265191 2.6171565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1109329e-10 1.8385834e-10 2.142729e-10 ] [ 2.3345028e-10 1.5450947e-10 4.5339589e-10 ] [ 1.859336e-10 4.109207900000001e-10 2.4650334e-10 ] [ 1.3878566e-10 3.7267187e-10 4.6878081e-10 ] [ 4.3643512e-10 1.9861682e-10 3.011288e-10 ] [ 4.1482055e-10 4.3265191e-10 2.6171565e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.46e-05 -2.74e-05 -8.7e-06 ] [ 3.1e-06 1.53e-05 -2.73e-05 ] [ -2.07e-05 -1.63e-05 3.44e-05 ] [ -1.63e-05 2.85e-05 -1.4e-06 ] [ 2.45e-05 -8.4e-06 -4e-06 ] [ 2.41e-05 8.2e-06 7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.339177866368e-14 -4.389963940992e-14 -1.393893660096e-14 ] [ 4.96674752448e-15 2.451330229824e-14 -4.373942174784e-14 ] [ -3.316505605055999e-14 -2.611547891904e-14 5.511487575552001e-14 ] [ -2.611547891904e-14 4.56620336928e-14 -2.24304726912e-15 ] [ 3.92533272096e-14 -1.345828361472e-14 -6.4087064832e-15 ] [ 3.861245656128e-14 1.313784829056e-14 1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.296262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.290513674123145e-18 } }