{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5327922 0.5806897 -0.1665608 ] [ -0.992957 1.9325216 -1.6997281 ] [ 0.0105924 0.0219521 0.6902537 ] [ 0.3688865 -0.4623835 -0.7342232 ] [ 0.6675593 0.2918978 4.3354364 ] [ -1.6102887 0.6614021 -0.8998308 ] [ -1.0019372 -1.4949692 -1.53476 ] [ 2.0253526 -1.5311107 0.0094128 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.536272065845979e-10 9.303674612793657e-10 -2.668598197017446e-10 ] [ -1.590892490859706e-09 3.096240926711009e-09 -2.723264623536805e-09 ] [ 1.697089563816192e-11 3.517114139746368e-11 1.105908340560697e-09 ] [ 5.910213260287392e-10 -7.408200335436768e-10 -1.176355245488962e-09 ] [ 1.069547903457613e-09 4.676718308229542e-10 6.946134841045317e-09 ] [ -2.579966907878425e-09 1.059682981568024e-09 -1.441687870435761e-09 ] [ -1.605280357349814e-09 -2.395204701056079e-09 -2.458956590539008e-09 ] [ 3.244972584596495e-09 -2.453109767396722e-09 1.508096809626624e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.240039 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.806294322268022e-18 } }