{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.8147519 6.8236781 3.7486962 ] [ 5.8355064 -3.3154722 -6.1979525 ] [ -2.5058893 -8.2145447 -5.493801 ] [ 3.4208916 -1.7385836 3.3538552 ] [ -1.5747634 -4.7120658 6.1826325 ] [ -0.3656104 2.0483552 -4.2035431 ] [ 4.0046171 9.108633 2.6101125 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.412278941233238e-08 1.093273751968496e-08 6.006073410121802e-09 ] [ 9.349511924608773e-09 -5.311972045752342e-09 -9.930214592328913e-09 ] [ -4.014877250772877e-09 -1.316115146885655e-08 -8.802039521527663e-09 ] [ 5.480872543811106e-09 -2.785517997226299e-09 5.373468390988507e-09 ] [ -2.523049102771519e-09 -7.549561660431249e-09 9.905669246498256e-09 ] [ -5.857724352013363e-10 3.281826812534108e-09 -6.734818479345157e-09 ] [ 6.416103892875896e-09 1.459363884004737e-08 4.18186122515784e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.13218 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.264224839693735e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6106067 4.0110201 3.6407164 ] [ 5.5961359 2.3975735 1.6930516 ] [ 3.3694406 1.2662288 1.8081431 ] [ 5.51362 2.356725 4.1916451 ] [ 3.1706732 1.7104991 4.1893479 ] [ 3.3028989 3.7042842 1.257869 ] [ 4.9967307 4.5657074 3.1406366 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6106067e-10 4.0110201e-10 3.6407164e-10 ] [ 5.596135900000001e-10 2.3975735e-10 1.6930516e-10 ] [ 3.3694406e-10 1.2662288e-10 1.8081431e-10 ] [ 5.513620000000001e-10 2.356725e-10 4.1916451e-10 ] [ 3.1706732e-10 1.7104991e-10 4.1893479e-10 ] [ 3.3028989e-10 3.7042842e-10 1.257869e-10 ] [ 4.9967307e-10 4.5657074e-10 3.1406366e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.18e-05 -3.44e-05 -9.2e-06 ] [ -8.6e-06 -7.9e-06 3.95e-05 ] [ -2.3e-06 2.47e-05 -6.1e-06 ] [ 9.2e-06 2.15e-05 -5.98e-05 ] [ -6.2e-06 4.11e-05 -2e-06 ] [ 3.53e-05 -7.9e-06 4.15e-05 ] [ -3.92e-05 -3.7e-05 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.890568412544e-14 -5.511487575552001e-14 -1.474002491136e-14 ] [ -1.377871893888e-14 -1.265719530432e-14 6.32859765216e-14 ] [ -3.68500622784e-15 3.957376253376001e-14 -9.77327738688e-15 ] [ 1.474002491136e-14 3.44467973472e-14 -9.581016192383999e-14 ] [ -9.93349504896e-15 6.584945911488e-14 -3.2043532416e-15 ] [ 5.655683471424e-14 -1.265719530432e-14 6.64903297632e-14 ] [ -6.280532353535999e-14 -5.92805349696e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }