{ "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" [ 5.44976 0 0 ] "si-unit" "m" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0355309 5.38277 0 ] "si-unit" "m" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.05055 0.148675 5.46244 ] "si-unit" "m" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4489497 1.6871844 -4.8674277 ] [ -0.055968 -0.1990456 4.1217577 ] [ 1.2996517 -1.6084659 1.7287895 ] [ -2.8041264 -2.8826671 3.4017082 ] [ 2.8255174 3.3166901 -3.432843 ] [ 0.4561034 -0.8888938 -1.6384301 ] [ 1.1705901 2.0769081 -1.3118795 ] [ -4.3407179 -1.5017102 1.998325 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.321473334055174e-09 2.703167400658476e-09 -7.798478864374317e-09 ] [ -8.96706211129344e-11 -3.189062067931085e-10 6.60378382354238e-09 ] [ 2.082271568922976e-09 -2.577046460334031e-09 2.769826119184522e-09 ] [ -4.492705759848069e-09 -4.618541833169336e-09 5.450137348823651e-09 ] [ 4.526977919943602e-09 5.313923336658815e-09 -5.500020797476934e-09 ] [ 7.307582041473908e-10 -1.424164864734071e-09 -2.625054401035006e-09 ] [ 1.875492090759934e-09 3.327573601370148e-09 -2.101862664206794e-09 ] [ -6.954596736868072e-09 -2.406004973656892e-09 3.20166959576016e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.097352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.623215682638813e-18 } }