{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.328996 -5.4105371 -9.9478678 ] [ -0.4758648 -0.4053611 0.4069486 ] [ -10.5296612 -10.2122426 1.7492965 ] [ -5.9688674 3.7312269 -0.3913796 ] [ 10.2754523 -5.1876831 4.8427072 ] [ 4.6707307 6.4453521 -3.3726899 ] [ 5.3572064 11.0392448 6.712985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.333639561936717e-09 -8.668636047591032e-09 -1.593824121596913e-08 ] [ -7.624194572216678e-10 -6.494600774017708e-10 6.520035327872909e-10 ] [ -1.687037699958487e-08 -1.636181633965781e-08 2.802681955147267e-09 ] [ -9.56317980093528e-09 5.978084506080059e-09 -6.270592449780557e-10 ] [ 1.646308944320559e-08 -8.311584578939269e-09 7.758872257219831e-09 ] [ 7.48333552959282e-09 1.032659244744418e-08 -5.40364490698829e-09 ] [ 8.583190846880133e-09 1.768681992984797e-08 1.075538762278109e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9118633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.588055564782554e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.899447 1.4205535 1.1293315 ] [ 1.6298949 2.6585309 5.427999 ] [ 1.4596137 1.3293758 3.2182412 ] [ 0.7233929 3.7909302 3.3093025 ] [ 4.0234134 1.6316894 3.4660116 ] [ 4.2356325 3.5018662 1.6700856 ] [ 3.2060306 4.049765 3.9250166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.899447e-10 1.4205535e-10 1.1293315e-10 ] [ 1.6298949e-10 2.6585309e-10 5.427999e-10 ] [ 1.4596137e-10 1.3293758e-10 3.2182412e-10 ] [ 7.233929000000001e-11 3.7909302e-10 3.3093025e-10 ] [ 4.0234134e-10 1.6316894e-10 3.4660116e-10 ] [ 4.2356325e-10 3.5018662e-10 1.6700856e-10 ] [ 3.2060306e-10 4.049765e-10 3.9250166e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 -1.06e-05 -1.01e-05 ] [ 1.75e-05 -2.6e-06 1e-06 ] [ -2.99e-05 -2.95e-05 -1.75e-05 ] [ 2.67e-05 7.3e-06 -1.1e-05 ] [ 5.5e-06 8.9e-06 3.09e-05 ] [ -1.98e-05 1.9e-05 9.8e-06 ] [ 7.6e-06 7.6e-06 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 -1.698307218048e-14 -1.618198387008e-14 ] [ 2.8038090864e-14 -4.16565921408e-15 1.6021766208e-15 ] [ -4.790508096192e-14 -4.72642103136e-14 -2.8038090864e-14 ] [ 4.277811577536e-14 1.169588933184e-14 -1.76239428288e-14 ] [ 8.8119714144e-15 1.425937192512e-14 4.950725758272e-14 ] [ -3.172309709184e-14 3.04413557952e-14 1.570133088384e-14 ] [ 1.217654231808e-14 1.217654231808e-14 -5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.090983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.578059676829025e-18 } }