{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.376748 2.356906 1.723048 ] [ 1.891208 1.427855 3.861744 ] [ 2.621896 4.609245 2.418974 ] [ 4.560356 2.199202 1.122098 ] [ 4.097908 2.987714 3.135416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.376748e-10 2.356906e-10 1.723048e-10 ] [ 1.891208e-10 1.427855e-10 3.861744e-10 ] [ 2.621896e-10 4.609245e-10 2.418974e-10 ] [ 4.560356e-10 2.199202e-10 1.122098e-10 ] [ 4.097908e-10 2.987714e-10 3.135416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9625957 -1.6852698 0.3838575 ] [ 0.8883185 0.5186783 -1.4899164 ] [ -1.4436798 3.1072879 0.2976439 ] [ 2.3217725 -1.8557695 -2.1590746 ] [ 1.1961845 -0.084927 2.9674895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.746601567422611e-09 -2.700099873300292e-09 6.150075122187361e-10 ] [ 1.423243132524125e-09 8.310142459762887e-10 -2.387109223026501e-09 ] [ -2.31303002348122e-09 4.978424027474729e-09 4.768780979037332e-10 ] [ 3.719889618316367e-09 -2.973270506493706e-09 -3.459218846683112e-09 ] [ 1.916498840063338e-09 -1.360680538746816e-10 4.754442299369482e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.242132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.640970443754755e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9801327 2.4030596 1.3531939 ] [ 2.1639357 1.5086898 3.5619322 ] [ 2.4810366 4.4944829 2.5559637 ] [ 4.3886081 1.882752 1.3396963 ] [ 4.5344028 3.2919377 3.4504939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9801327e-10 2.4030596e-10 1.3531939e-10 ] [ 2.1639357e-10 1.5086898e-10 3.5619322e-10 ] [ 2.4810366e-10 4.494482900000001e-10 2.5559637e-10 ] [ 4.3886081e-10 1.882752e-10 1.3396963e-10 ] [ 4.5344028e-10 3.2919377e-10 3.4504939e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.92e-05 4.83e-05 6.66e-05 ] [ -8e-07 5.76e-05 -5.04e-05 ] [ 1.04e-05 -0.0001122 3.42e-05 ] [ -1.67e-05 -3.82e-05 -1.01e-05 ] [ -6.22e-05 4.44e-05 -4.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1087062215936e-13 7.738513078464e-14 1.0670496294528e-13 ] [ -1.28174129664e-15 9.228537335808e-14 -8.074970168832e-14 ] [ 1.666263685632e-14 -1.7976421685376e-13 5.479444043136e-14 ] [ -2.675634956736e-14 -6.120314691456e-14 -1.618198387008e-14 ] [ -9.965538581376e-14 7.113664196352e-14 -6.456771781824e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.809519 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.052311186549339e-18 } }