{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5198194 2.3138538 2.4279923 ] [ -1.4046946 1.00646 -0.5680916 ] [ 0.2557626 -0.5660511 -1.067431 ] [ 2.5571799 -1.2562426 -2.2977451 ] [ -0.172128 1.055204 1.0357013 ] [ 0.7777078 -2.1550257 -1.8434228 ] [ -0.5282976 1.3330888 3.9614277 ] [ 0.0342894 -1.7312872 -1.6484308 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4350191305799e-09 3.707202492852109e-09 3.890072530591918e-09 ] [ -2.250568866025976e-09 1.61252669505564e-09 -9.101830874916744e-10 ] [ 4.097768615710884e-10 -9.069138460699973e-10 -1.710213006607254e-09 ] [ 4.097053884714456e-09 -2.012722540355408e-09 -3.681393510107993e-09 ] [ -2.75779459657152e-10 1.690623192903336e-09 1.659376422663424e-09 ] [ 1.246025265239545e-09 -3.452731822209493e-09 -2.953488936742854e-09 ] [ -8.464260705182784e-10 2.135843726407099e-09 6.346906898220361e-09 ] [ 5.493767547387959e-11 -2.773827898583284e-09 -2.641077310525927e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.711256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72157399339923e-18 } }