{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4244901 -0.5659279 1.7408105 ] [ 0.464005 -1.1892999 0.2424225 ] [ 0.1956974 -0.19584 1.9502491 ] [ 0.064263 0.2816001 -2.6225235 ] [ -0.4666337 -0.4772722 0.1623093 ] [ 1.0506219 -0.3982034 -1.5375974 ] [ -0.0149736 0.5229242 1.4698314 ] [ 0.13151 2.0220191 -1.4055018 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.282284753584323e-09 -9.067164579086886e-10 2.789085907321857e-09 ] [ 7.4341796905917e-10 -1.905468510598537e-09 3.88403665055865e-10 ] [ 3.135418016145515e-10 -3.137702720025599e-10 3.124643538499529e-09 ] [ 1.02960677030742e-10 4.511731003520634e-10 -4.201745873815898e-09 ] [ -7.476296107769657e-10 -7.646743668977746e-10 2.600481679408962e-10 ] [ 1.683281859348685e-09 -6.379921830593555e-10 -2.463502626779151e-09 ] [ -2.39903520468624e-11 8.378169345931426e-10 2.354929524999507e-09 ] [ 2.1070224913734e-10 3.239631755521709e-09 -2.251862143004941e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.47332960156247594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.583576278039288e-20 } }