{ "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" [ [ 1.0740087 1.7190862 -5.1778634 ] [ -0.0245232 -0.1507323 4.8373352 ] [ 1.185881 -1.5288855 1.789882 ] [ -2.2098481 -2.6473245 3.2619228 ] [ 2.2232731 3.1259656 -3.3215224 ] [ 0.3537458 -0.9336225 -1.9769857 ] [ 1.1711471 1.7417932 -1.5286167 ] [ -3.7736844 -1.3262801 2.1158481 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.720751629675801e-09 2.754279718779913e-09 -8.295851685175998e-09 ] [ -3.929049770720256e-11 -2.414997670594119e-10 7.750265364412892e-09 ] [ 1.899990813250925e-09 -2.449544603980119e-09 2.867707094390746e-09 ] [ -3.5405669613393e-09 -4.241481421571049e-09 5.226176449014474e-09 ] [ 3.562076182473541e-09 5.008349001745045e-09 -5.321665534743506e-09 ] [ 5.667632504661927e-10 -1.495828142152848e-09 -3.167480268195922e-09 ] [ 1.87638450313772e-09 2.790660343308419e-09 -2.449113938904447e-09 ] [ -6.046108919957675e-09 -2.124934968852286e-09 3.389962358984101e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.68338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.236454732472231e-18 } }