{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8542334 0.100574 -0.1281708 ] [ -0.4844377 0.4791788 0.4304652 ] [ 0.0524944 0.0886079 -0.0081974 ] [ 0.3086291 0.2243762 2.3561978 ] [ -0.0635458 -0.3881428 1.1249258 ] [ 1.0830244 0.3138464 -3.1802885 ] [ -0.0419311 -0.8184406 -0.594932 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.368632793462376e-09 1.61137312787916e-10 -2.053522609210872e-10 ] [ -7.761547635687019e-10 7.677290768681592e-10 6.896812851901366e-10 ] [ 8.410530109584958e-11 1.419655069678086e-10 -1.31336827395516e-11 ] [ 4.944783325924493e-10 3.594903048657108e-10 3.775045060242205e-09 ] [ -1.018115959488372e-10 -6.218733248153351e-10 1.802329831743757e-09 ] [ 1.735196387731869e-09 5.028373687450176e-10 -5.095383924078909e-09 ] [ -6.718102865791739e-11 -1.31128640563694e-09 -9.531861492188879e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.576906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.45700146272144e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7963119 2.7990813 1.3862373 ] [ 2.0711385 2.8423677 3.7136477 ] [ 3.5644692 1.4620153 2.3825273 ] [ 5.144903 3.0360535 3.3478787 ] [ 3.221856 4.6210973 1.1762457 ] [ 4.8712449 2.9928438 1.0203282 ] [ 3.4978435 4.6651222 3.518794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7963119e-10 2.7990813e-10 1.3862373e-10 ] [ 2.0711385e-10 2.8423677e-10 3.7136477e-10 ] [ 3.5644692e-10 1.4620153e-10 2.3825273e-10 ] [ 5.144903e-10 3.0360535e-10 3.3478787e-10 ] [ 3.221856e-10 4.6210973e-10 1.1762457e-10 ] [ 4.8712449e-10 2.9928438e-10 1.0203282e-10 ] [ 3.4978435e-10 4.6651222e-10 3.518794e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.26e-05 6e-06 8e-06 ] [ 7.5e-06 1.35e-05 -3.15e-05 ] [ -1.36e-05 -1.23e-05 3.9e-05 ] [ -6.8e-06 1.52e-05 -2.97e-05 ] [ -1.09e-05 1.96e-05 -1.1e-06 ] [ -1.03e-05 -7.5e-06 -5e-06 ] [ -8.5e-06 -3.45e-05 2.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.82527246084e-14 9.613059803999999e-15 1.2817413072e-14 ] [ 1.2016324755e-14 2.162938455899999e-14 -5.046856397099999e-14 ] [ -2.17896022224e-14 -1.97067725982e-14 6.248488872599999e-14 ] [ -1.08948011112e-14 2.43530848368e-14 -4.75846460298e-14 ] [ -1.74637253106e-14 3.140266202639999e-14 -1.7623942974e-15 ] [ -1.65024193302e-14 -1.2016324755e-14 -8.010883169999999e-15 ] [ -1.3618501389e-14 -5.527509387299999e-14 3.236396800679999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }