{ "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" [ [ -0.8604942 0.6331792 0.1589129 ] [ 0.4468765 0.0584715 -1.1054407 ] [ 0.0279501 0.0747166 -0.4924186 ] [ 1.1052797 -0.2932316 0.5589487 ] [ -0.9379834 -0.1605562 -0.0339727 ] [ 0.4320267 -0.6935775 1.8300339 ] [ -0.1723205 0.7897731 0.8438255 ] [ -0.0413349 -0.4087752 -1.7598889 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.378663689573999e-09 1.014464911016848e-09 2.546065331235283e-10 ] [ 7.159750806849312e-10 9.36816702831072e-11 -1.771111245220786e-09 ] [ 4.478099676902208e-11 1.197091897056653e-10 -7.889415685670669e-10 ] [ 1.770853294784838e-09 -4.698088139997772e-10 8.955345393665529e-10 ] [ -1.502815074178495e-09 -2.57239389964489e-10 -5.443026568545216e-11 ] [ 6.921830783013754e-10 -1.111233655212912e-09 2.932037529851445e-09 ] [ -2.760878763845664e-10 1.265355996556741e-09 1.351957488134871e-09 ] [ -6.622581040310592e-11 -6.549300686028441e-10 -2.819652850785429e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.786852 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.893903422722973e-18 } }