{ "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" [ [ -1.1614196 1.7829861 1.9696719 ] [ -1.0129089 0.7154118 -0.5223884 ] [ 0.1993142 -0.4506394 -0.7822163 ] [ 1.9155743 -1.0006927 -1.8203188 ] [ -0.1258366 0.7848462 0.996769 ] [ 0.5367831 -1.5339425 -1.369804 ] [ -0.3375391 1.099351 2.9108811 ] [ -0.0139675 -1.3973205 -1.3825945 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.860799330058888e-09 2.856658644631371e-09 3.155762268826716e-09 ] [ -1.622858958580245e-09 1.146216060204446e-09 -8.369584814571187e-10 ] [ 3.193365514334553e-10 -7.220039110913396e-10 -1.253248668268679e-09 ] [ 3.069088358865326e-09 -1.603286448545228e-09 -2.916472223762711e-09 ] [ -2.016124585609613e-10 1.257462232563721e-09 1.596999988138195e-09 ] [ 8.600213332605485e-10 -2.457646811151504e-09 -2.194667943878323e-09 ] [ -5.407972546258732e-10 1.761354470253101e-09 4.663745644348587e-09 ] [ -2.2378401951024e-11 -2.238754236864567e-09 -2.215160583946666e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.856073 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.744776187429813e-18 } }