{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6935590000000001 0.35721340000000007 -1.0796089000000002 ] [ 0.9250123000000002 -0.5215573000000001 -0.7993999000000003 ] [ -0.34065690000000004 0.09654360000000002 1.3352445000000002 ] [ -0.19956880000000005 0.6634463000000002 -0.04677250000000001 ] [ -2.6066027000000003 -3.5699164000000008 -3.081465900000001 ] [ 2.8626896000000004 3.294817100000001 2.9876668000000004 ] [ 0.4307956000000001 -0.29358350000000005 0.15371820000000003 ] [ -1.7652281000000005 -0.026963200000000007 0.5306175000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.111204014945428e-09 5.723189581164788e-10 -1.729724139187606e-09 ] [ 1.482033081012436e-09 -8.35626912467572e-10 -1.280779830449858e-09 ] [ -5.457925208942035e-10 1.546798988078669e-10 2.139297520951786e-09 ] [ -3.197444656011111e-10 1.062958151016263e-09 -7.493780599636802e-11 ] [ -4.176237905654157e-09 -5.719636594290502e-09 -4.937052622772432e-09 ] [ 4.586534349727304e-09 5.278878927432057e-09 4.78676989770035e-09 ] [ 6.902106386635087e-10 -4.703726199526369e-10 2.462837062314586e-10 ] [ -2.828207192199205e-09 -4.319980866195458e-11 8.501429530873442e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.898396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.751557079542023e-18 } }