{ "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" [ [ 1.5097115 1.3070835 -1.897156 ] [ -0.5941769 2.0850657 -1.0572726 ] [ 0.1029188 0.0258519 -1.9276924 ] [ -0.1199545 -0.5656499 2.9093342 ] [ 0.5204343 0.4604717 0.0178276 ] [ 0.0980801 -0.8327888 0.578287 ] [ -0.9769671 0.4062571 0.2528493 ] [ -0.5400463 -2.8862912 1.1238229 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.418824489381091e-09 2.094178642386939e-09 -3.039579014252904e-09 ] [ -9.519763456425545e-10 3.340643544894853e-09 -1.693937455488428e-09 ] [ 1.648940965593192e-10 4.14193101245046e-11 -3.088503720819381e-09 ] [ -1.92188297043153e-10 -9.062710528044366e-10 4.661267275737082e-09 ] [ 8.338276749921462e-10 7.377569983582577e-10 2.85629641602984e-11 ] [ 1.571416444803834e-10 -1.334274756416899e-09 9.265179191459578e-10 ] [ -1.565273859806741e-09 6.508956330166013e-10 4.051092403832561e-10 ] [ -8.652495631381541e-10 -4.62434831955982e-09 1.800562791134118e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.252001 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.487775566994463e-18 } }