{ "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" [ [ 2.5973987 0.3982923 -2.5860877 ] [ -1.0754587 2.9633502 -2.0494657 ] [ 0.0209856 -0.6144376 -1.8937037 ] [ -0.4002887 -0.7753727 2.9334235 ] [ 1.3568877 0.5767743 1.6036213 ] [ -1.4972474 1.8233843 2.8706032 ] [ -0.3211958 -1.5423388 -0.6612562 ] [ -0.6810815 -2.8296521 -0.2171347 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.161491506321976e-09 6.381346165621181e-10 -4.143369286414801e-09 ] [ -1.723074799972016e-09 4.747810448799225e-09 -3.283606056724453e-09 ] [ 3.36226379704704e-11 -9.844375657710384e-10 -3.034047819859345e-09 ] [ -6.413332019942358e-10 -1.242284022581492e-09 4.699862589326499e-09 ] [ 2.173973767902001e-09 9.24094306551706e-10 2.569284576644704e-09 ] [ -2.398854799597251e-09 2.921383720262446e-09 4.599213372525628e-09 ] [ -5.146124056989371e-10 -2.471099187071599e-09 -1.059449232727631e-09 ] [ -1.091212865149671e-09 -4.533602476969031e-09 -3.478881427705998e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -327.59767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.248693322268427e-17 } }