{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4151761 -0.5697065 0.0883718 ] [ -0.881934 0.5498276 -0.3461259 ] [ 2.0161986 0.4985139 2.3660547 ] [ -0.4532941 0.8355207 -2.0590313 ] [ 0.445135 -4.2403585 0.1912205 ] [ -0.0344966 0.7845218 -0.0706819 ] [ -0.3669513 0.0295651 -0.5524342 ] [ -1.1398337 2.112116 0.3826264 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.651854409349229e-10 -9.127704350177953e-10 1.415872318980134e-10 ] [ -1.413014035888627e-09 8.809209261905741e-10 -5.545548248333587e-10 ] [ 3.230306259809691e-09 7.987073157238292e-10 3.790837523873957e-09 ] [ -7.262572093665773e-10 1.338651731734451e-09 -3.298931810355431e-09 ] [ 7.13184890099808e-10 -6.793803252510556e-09 3.063690145176864e-10 ] [ -5.526964601708928e-11 1.256942486467934e-09 -1.132448876937235e-10 ] [ -5.879207938321671e-10 4.736851201161408e-11 -8.850971597703513e-10 ] [ -1.826214905739961e-09 3.383982875617613e-09 6.130350725808691e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.244991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.807087720130641e-18 } }