{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] "source-value" [ 5.44976 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] "source-value" [ -0.0355309 5.38277 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] "source-value" [ 0.05055 0.148675 5.46244 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.217531505078847e-09 1.446833420871122e-09 -4.952993639278743e-09 ] [ 6.128581922819328e-11 -2.29760138305824e-10 4.572156897385231e-09 ] [ 1.21587645662956e-09 -1.678273120928531e-09 1.804133867769757e-09 ] [ -2.487830536946079e-09 -2.630931665533087e-09 3.288965791121069e-09 ] [ 2.436389772617378e-09 3.194717110531861e-09 -3.371101055151057e-09 ] [ 5.389872756973555e-10 -8.902081031907034e-10 -1.918021548723746e-09 ] [ 1.086675331751628e-09 2.04151812374332e-09 -1.328917066804132e-09 ] [ -4.068915784274544e-09 -1.25389578740582e-09 1.905776913899282e-09 ] ] "source-value" [ [ 0.7599234 0.9030424 -3.0914155 ] [ 0.0382516 -0.143405 2.8537159 ] [ 0.7588904 -1.0474957 1.1260518 ] [ -1.5527817 -1.6420984 2.052811 ] [ 1.5206749 1.9939856 -2.1040758 ] [ 0.3364094 -0.5556242 -1.1971349 ] [ 0.6782494 1.2742154 -0.8294448 ] [ -2.5396175 -0.7826202 1.1894924 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.440545157732364e-18 "source-value" -21.474194 } }