{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7704532 0.5206584 0.2219074 ] [ 0.3735758 0.0411351 -0.9184049 ] [ 0.0898082 0.1171407 -0.3602707 ] [ 0.9825049 -0.1415895 0.4069978 ] [ -0.8824969 -0.1912182 0.0936432 ] [ 0.4218373 -0.5026931 1.397891 ] [ -0.2142081 0.5273525 0.6664224 ] [ -0.0005679 -0.370786 -1.5081862 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.234402114630529e-09 8.341867227758255e-10 3.555348511916916e-10 ] [ 5.985344177878572e-10 6.590569605725339e-11 -1.471446871331107e-09 ] [ 1.438885995815988e-10 1.876800924304038e-10 -5.772172974548237e-10 ] [ 1.574146393570507e-09 -2.26851388519743e-10 6.520823652494052e-10 ] [ -1.413915912757434e-09 -3.063653320355388e-10 1.500329469729888e-10 ] [ 6.758578654096482e-10 -8.054031388930253e-10 2.239668297078894e-09 ] [ -3.431992126335354e-10 8.449118533814849e-10 1.067726397654201e-09 ] [ -9.098761104485999e-13 -5.940646654143239e-10 -2.416380689361251e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.776947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.892316515325639e-18 } }