{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4752875 1.3219396 -4.536907 ] [ 1.1453723 2.2344929 0.2182047 ] [ -0.178693 1.0851549 -1.3317218 ] [ 0.6014184 0.146685 1.2889843 ] [ 0.3751775 1.0419323 -0.1315306 ] [ 0.9722054 -2.7592279 0.4623519 ] [ -3.0363524 0.4994847 -0.1769633 ] [ -0.3544157 -3.5704615 4.2075818 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.614945269322749e-10 2.117980738679306e-09 -7.268926386031037e-09 ] [ 1.835088736290838e-09 3.580052313218898e-09 3.496024717689798e-10 ] [ -2.86297749259362e-10 1.738609825050606e-09 -2.133653550948421e-09 ] [ 9.635785077376657e-10 2.3501527955829e-10 2.065180527052846e-09 ] [ 6.011006241025349e-10 1.669359585269878e-09 -2.107352539760004e-10 ] [ 1.557644775328623e-09 -4.420770469260888e-09 7.407694108655046e-10 ] [ -4.864772867869821e-09 8.002627153804998e-10 -2.835264643355322e-10 ] [ -5.678365532627538e-10 -5.72050998789659e-09 6.74128924560366e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -330.10502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.288865498101027e-17 } }