{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1960258 0.056018 1.1686295 ] [ -3.2471515 -2.6466022 1.0275702 ] [ -0.2890622 0.5504208 0.2263491 ] [ 1.5401174 1.1302362 -5.4538531 ] [ -0.0172678 -6.0337657 5.1500993 ] [ -1.9935591 4.9559684 -3.2905411 ] [ 3.8108973 1.9877245 1.171746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.140679538336166e-10 8.975072994397439e-11 1.872350863277193e-09 ] [ -5.202510217495651e-09 -4.240324169397845e-09 1.64634895067078e-09 ] [ -4.631286987970137e-10 8.818713373620328e-10 3.626512361591213e-10 ] [ 2.467540091567282e-09 1.810838015621833e-09 -8.738035930097604e-09 ] [ -2.766606545265024e-11 -9.667158339924947e-09 8.251368693258446e-09 ] [ -3.194033782203089e-09 7.940336703903583e-09 -5.272028020201516e-09 ] [ 6.105730558329844e-09 3.18468572249137e-09 1.877344046715917e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.700963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.996224570504583e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4509309 1.2312761 2.0240074 ] [ 2.2347158 2.6439934 4.1330899 ] [ 1.2001561 3.3469671 2.0226561 ] [ 4.4451824 2.1790104 0.9445039 ] [ 4.5339032 1.8164803 3.3691946 ] [ 3.5518503 4.0498684 2.2842082 ] [ 4.2887693 3.9315213 4.630441 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4509309e-10 1.2312761e-10 2.0240074e-10 ] [ 2.2347158e-10 2.6439934e-10 4.1330899e-10 ] [ 1.2001561e-10 3.3469671e-10 2.0226561e-10 ] [ 4.445182400000001e-10 2.1790104e-10 9.445039e-11 ] [ 4.533903200000001e-10 1.8164803e-10 3.3691946e-10 ] [ 3.5518503e-10 4.049868400000001e-10 2.2842082e-10 ] [ 4.2887693e-10 3.9315213e-10 4.630441000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.87e-05 6.58e-05 2.18e-05 ] [ 3e-07 8.5e-06 -4.2e-06 ] [ -1.05e-05 -6.3e-06 4e-07 ] [ 2.14e-05 1.51e-05 9.9e-06 ] [ -3.8e-06 -1.49e-05 -4.9e-06 ] [ -3.01e-05 -5.73e-05 -9.5e-06 ] [ 3.9e-06 -1.09e-05 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.996070280896e-14 1.0542322164864e-13 3.492745033344e-14 ] [ 4.8065298624e-16 1.36185012768e-14 -6.72914180736e-15 ] [ -1.68228545184e-14 -1.009371271104e-14 6.408706483200001e-16 ] [ 3.428657968511999e-14 2.419286697408e-14 1.586154854592e-14 ] [ -6.08827115904e-15 -2.387243164992e-14 -7.850665441919999e-15 ] [ -4.822551628608e-14 -9.180472037184001e-14 -1.52206778976e-14 ] [ 6.24848882112e-15 -1.746372516672e-14 -2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.947028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.516301515764299e-18 } }