{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1188671 0.0693743 -0.0344628 ] [ -0.204429 -0.0509362 0.1350401 ] [ 0.133879 -0.301616 -0.0191991 ] [ 0.1339848 -0.0616342 0.068268 ] [ -0.2195572 0.1475615 0.1176696 ] [ 0.0023706 0.2479176 0.1422379 ] [ 0.1912502 -0.0066154 -0.1226406 ] [ 0.0813687 -0.0440515 -0.2869131 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.904460886022957e-10 1.111498815443654e-10 -5.521549244730625e-11 ] [ -3.275313644135232e-10 -8.160878879239295e-11 2.163580910904941e-10 ] [ 2.144978038160832e-10 -4.832421036592128e-10 -3.076034916040128e-11 ] [ 2.146673141025638e-10 -9.874887428171135e-11 1.093773935487744e-10 ] [ -3.517694127683098e-10 2.364195854301792e-10 1.885274820988877e-10 ] [ 3.79811989726848e-12 3.972077826048461e-10 2.278902379716883e-10 ] [ 3.064165991633242e-10 -1.059903921724032e-11 -1.964919020808845e-10 ] [ 1.30367028804889e-10 -7.05782834111712e-11 -4.596854610212525e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 29.673957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.754292015202451e-18 } }