{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3953515 1.1960646 0.3696983 ] [ -1.1201506 0.0308389 -1.6273935 ] [ 1.5654248 1.5796051 -1.4715623 ] [ -0.5837352 -1.4109416 1.6352857 ] [ 0.0685333 1.6480484 1.2146457 ] [ -0.337817 -2.5131559 1.2086402 ] [ -1.5636514 0.2231143 -0.8112453 ] [ 1.5760446 -0.7535739 -0.5180689 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.33422935516851e-10 1.916306754874556e-09 5.923219778895221e-10 ] [ -1.794679117881081e-09 4.940936499826259e-11 -2.607371840023479e-09 ] [ 2.508087036844123e-09 2.530806382167233e-09 -2.357702732535298e-09 ] [ -9.352468978833167e-10 -2.260577663458574e-09 2.620016538454334e-09 ] [ 1.098024519109122e-10 2.640464638181085e-09 1.946076959128574e-09 ] [ -5.412425039679779e-10 -4.02651966057924e-09 1.936455087353087e-09 ] [ -2.505245736801387e-09 3.574685181712662e-10 -1.29975826410232e-09 ] [ 2.525101832261876e-09 -1.207358494572253e-09 -8.300378863820826e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.240778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.806412770958125e-18 } }