{ "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" [ [ 1.305811 2.49596 1.153083 ] [ 2.737889 0.6120376 2.536176 ] [ 2.287817 4.454983 1.771215 ] [ 3.462438 1.614504 0.7986264 ] [ 3.194185 2.806829 3.238803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.305811e-10 2.49596e-10 1.153083e-10 ] [ 2.737889e-10 6.120375999999999e-11 2.536176e-10 ] [ 2.287817e-10 4.454983e-10 1.771215e-10 ] [ 3.462438e-10 1.614504e-10 7.986264e-11 ] [ 3.194185e-10 2.806829e-10 3.238803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3455278 -1.245379 1.4703188 ] [ -1.5535915 0.355132 0.6727889 ] [ 0.6076619 -0.9987561 0.1270788 ] [ 0.2509428 2.2326122 -0.075519 ] [ -0.650541 -0.3436092 -2.1946675 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.155773183796458e-09 -1.995317117835283e-09 2.355710406482711e-09 ] [ -2.489127979573603e-09 5.689841876979456e-10 1.077926646313749e-09 ] [ 9.735816895309075e-10 -1.600183673301387e-09 2.03602682359319e-10 ] [ 4.020546873180902e-10 3.577039070152854e-09 -1.209947762261952e-10 ] [ -1.042281581071853e-09 -5.505226269317914e-10 -3.516244958929584e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.032602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.049358995739132e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1913311 2.3123233 1.5995638 ] [ 2.6042573 0.5957817 2.376019 ] [ 2.5909987 4.1979438 1.4231423 ] [ 3.5706803 2.1286047 0.8719451 ] [ 3.0308726 2.7496601 3.2272332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1913311e-10 2.3123233e-10 1.5995638e-10 ] [ 2.6042573e-10 5.957816999999999e-11 2.376019e-10 ] [ 2.5909987e-10 4.1979438e-10 1.4231423e-10 ] [ 3.5706803e-10 2.1286047e-10 8.719451e-11 ] [ 3.0308726e-10 2.7496601e-10 3.2272332e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 7e-07 -5e-07 ] [ -2e-07 -2.5e-06 9e-07 ] [ 1e-07 -3e-07 1e-07 ] [ 1e-06 1e-06 -1.5e-06 ] [ 4e-07 1.1e-06 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08282960704e-15 1.12152363456e-15 -8.010883104e-16 ] [ -3.2043532416e-16 -4.005441552e-15 1.44195895872e-15 ] [ 1.6021766208e-16 -4.8065298624e-16 1.6021766208e-16 ] [ 1.6021766208e-15 1.6021766208e-15 -2.4032649312e-15 ] [ 6.408706483200001e-16 1.76239428288e-15 1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }