{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2850275 0.3892242 -1.1073827 ] [ -0.2787996 2.2975938 -0.8908506 ] [ -0.6973163 -0.0020817 0.9162288 ] [ 1.1731497 -0.9552104 -0.2737317 ] [ 0.1893903 1.0134611 3.9306205 ] [ -1.5402691 0.3231627 -1.1038306 ] [ -0.8131994 -2.1010136 -2.1944886 ] [ 1.6820169 -0.9651361 0.7234349 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.56664400547435e-10 6.236059186273428e-10 -1.774222686835832e-09 ] [ -4.466862046885463e-10 3.681151100783269e-09 -1.42730001570488e-09 ] [ -1.117223882367334e-09 -3.3352510989978e-12 1.467960374757859e-09 ] [ 1.879593037524109e-09 -1.530415783433794e-09 -4.385665337250978e-10 ] [ 3.034367133662502e-10 1.623743693887937e-09 6.297548322221396e-09 ] [ -2.467783162092209e-09 5.177637269203518e-10 -1.7685315952142e-09 ] [ -1.302889077462819e-09 -3.366194897636222e-09 -3.515958358499372e-09 ] [ 2.694888175173115e-09 -1.546318508049887e-09 1.159070493000127e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -327.08111 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.240417118647837e-17 } }