{ "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" [ [ 0.8418257 0.0627 0.5803914 ] [ -2.164821 0.4944954 1.5136822 ] [ 1.4528615 -3.0593556 0.3068378 ] [ -0.7015211 0.7156824 0.0786107 ] [ -0.5728669 0.6660508 0.6631376 ] [ -0.6808952 1.2267168 1.2087865 ] [ 2.6677458 0.1025777 -1.9029661 ] [ -0.8423288 -0.2088675 -2.4484801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.348753466440694e-09 1.004564749518e-10 9.298895396545476e-10 ] [ -3.468425622992513e-09 7.922689755004834e-10 2.425186252141715e-09 ] [ 2.327740747738191e-09 -4.90162805741705e-09 4.916083535879652e-10 ] [ -1.123960714677977e-09 1.146649618645041e-09 1.259482267223838e-10 ] [ -9.178339615720144e-10 1.067131028817007e-09 1.062463567846838e-09 ] [ -1.090914379642757e-09 1.965416993495251e-09 1.936689485794641e-09 ] [ 4.274199986211637e-09 1.643475941094618e-10 -3.048887820714107e-09 ] [ -1.349559521505259e-09 -3.34642628101995e-10 -3.922897605033982e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.921944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.75532993246565e-18 } }