{ "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" [ [ 2.8289306 2.7669334 -8.9736954 ] [ -0.1819402 -0.5722809 7.4031992 ] [ 2.400192 -2.4760476 2.1528548 ] [ -5.6528457 -5.5183712 6.3491787 ] [ 5.5147842 6.1321568 -6.3844511 ] [ 0.8847303 -1.6003289 -1.8310997 ] [ 1.8676952 4.025179 -2.4742124 ] [ -7.6615464 -2.7572406 3.7582259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.532446469185717e-09 4.433116004790655e-09 -1.437744497206051e-08 ] [ -2.915003348236761e-10 -9.168950785103827e-10 1.186123267736527e-08 ] [ 3.845531507831194e-09 -3.96706557670795e-09 3.44925362853706e-09 ] [ -9.056857221529811e-09 -8.84140532153604e-09 1.017250567442134e-08 ] [ 8.835658313997232e-09 9.82479826003974e-09 -1.022901828906084e-08 ] [ 1.41749420237337e-09 -2.564009549170581e-09 -2.933745129693894e-09 ] [ 2.99237758422038e-09 6.449047688335123e-09 -3.964125262173458e-09 ] [ -1.22751505212544e-08 -4.417586427240564e-09 6.021341672665039e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.873869 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.427192096784187e-18 } }