{ "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" [ [ -1.7580378 2.103483 2.2484183 ] [ -1.1875717 1.254703 -0.4173315 ] [ 0.1075079 -0.7236784 -1.219391 ] [ 2.7636497 -1.0948217 -2.1402506 ] [ -0.3458899 0.894088 0.8441324 ] [ 0.9549494 -1.8576653 -1.6215701 ] [ -1.7249098 0.0979279 2.6132515 ] [ 1.1903022 -0.6740365 -0.3072591 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.816687084848765e-09 3.370151312616222e-09 3.602363263718002e-09 ] [ -1.902699628939658e-09 2.010255829209702e-09 -6.686387779321709e-10 ] [ 1.722466453504086e-10 -1.159460623010506e-09 -1.953679767909893e-09 ] [ 4.42785497390111e-09 -1.754097746136158e-09 -3.42905950222448e-09 ] [ -5.541767157165965e-10 1.432486902339792e-09 1.352449207282342e-09 ] [ 1.52999761533232e-09 -2.9763079374526e-09 -2.598041724613043e-09 ] [ -2.763610177317613e-09 1.568977931966886e-10 4.186890492065451e-09 ] [ 1.907074372238795e-09 -1.079925530763141e-09 -4.922833506038694e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.048301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.455139228959883e-18 } }