{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6106098 -0.5236726 3.2850112 ] [ -0.6611987 -0.4014104 0.2199044 ] [ -2.0235926 -2.4962712 -1.5282738 ] [ 1.6528159 1.5679656 -0.1843516 ] [ -0.2549802 -0.227895 -0.2034437 ] [ 0.0064001 0.8587402 -2.6679494 ] [ 0.7959986 0.6250941 1.5841591 ] [ -0.1260529 0.5974493 -0.5050563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.78304745991364e-10 -8.390159966735502e-10 5.263168143706153e-09 ] [ -1.059357098843353e-09 -6.431303582259764e-10 3.523256884910515e-10 ] [ -3.242152753743887e-09 -3.999467355816361e-09 -2.448564552541175e-09 ] [ 2.648102993466511e-09 2.512157826538645e-09 -2.953638235270733e-10 ] [ -4.085233152069081e-10 -3.65128040997216e-10 -3.259527397890489e-10 ] [ 1.025409059078208e-11 1.375853471781116e-09 -4.274526154157387e-09 ] [ 1.275330347109531e-09 1.001511152820017e-09 2.538102673647569e-09 ] [ -2.019590093640403e-10 9.572193005733254e-10 -8.091893960477511e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.159826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.594531093339599e-18 } }