{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39006e-10 0.0 0.0 ] "source-value" [ 5.39006 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] "source-value" [ 0.23331 5.36322 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] "source-value" [ -0.160148 -0.0213292 5.4933 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.67343673007482e-09 1.832155936867549e-09 4.70135770182784e-09 ] [ 1.939880204578982e-10 1.232205199878106e-10 -1.131742957918111e-09 ] [ 8.073714062361292e-10 -1.790828111369338e-10 2.925967042852896e-10 ] [ 4.633268560014743e-09 -4.754945222610751e-09 -3.8979047389532e-09 ] [ -4.285763660758017e-09 3.00125268139364e-09 5.147782267394054e-09 ] [ -4.6379007730608e-10 1.017804327747581e-09 9.879101152683839e-10 ] [ -6.287482595717031e-10 6.926361738497377e-10 -1.056916823632213e-09 ] [ 4.417110741001849e-09 -1.733041606098634e-09 -5.043082108054382e-09 ] ] "source-value" [ [ -2.9169298 1.1435418 2.9343567 ] [ 0.1210778 0.0769082 -0.7063784 ] [ 0.5039216 -0.1117747 0.1826245 ] [ 2.8918588 -2.9678034 -2.4328808 ] [ -2.6749633 1.8732346 3.212993 ] [ -0.289475 0.6352635 0.616605 ] [ -0.3924338 0.4323095 -0.6596756 ] [ 2.7569437 -1.0816795 -3.1476443 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.673675113787274e-18 "source-value" -35.412295 } }