{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8723861 -7.7139647 -17.719425 ] [ -60.0187662 -207.1396055 38.2531291 ] [ 40.8506977 10.1164033 -29.211955 ] [ 21.0404547 204.737167 8.6782509 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.999893234530891e-09 -1.235913389601649e-08 -2.838964846901904e-08 ] [ -9.616066401490126e-08 -3.318742331738351e-07 6.128826911646415e-08 ] [ 6.545003279830833e-08 1.620826485384397e-08 -4.680271134886167e-08 ] [ 3.371052461134148e-08 3.280251023762253e-07 1.390409070141656e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 56.974534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.128326635577471e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8008115 -0.2734393 -0.2517134 ] [ 0.8707153 0.5053272 2.0817319 ] [ 3.3298489 3.1853589 0.4569627 ] [ 1.4616608 2.9197277 2.036723 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.008115e-11 -2.734393e-11 -2.517134e-11 ] [ 8.707153e-11 5.053272e-11 2.0817319e-10 ] [ 3.3298489e-10 3.1853589e-10 4.569627e-11 ] [ 1.4616608e-10 2.9197277e-10 2.036723e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 2.12e-05 9e-07 ] [ 2.9e-05 8.8e-05 9.9e-06 ] [ -8e-07 -1.1e-05 -1.5e-06 ] [ -3.33e-05 -9.83e-05 -9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-15 3.396614436096001e-14 1.44195895872e-15 ] [ 4.64631220032e-14 1.409915426304e-13 1.586154854592e-14 ] [ -1.28174129664e-15 -1.76239428288e-14 -2.4032649312e-15 ] [ -5.335248147264001e-14 -1.5749396182464e-13 -1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.093074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.777306381560434e-18 } }