{ "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" [ [ -1.4938726 2.2277583 2.3457035 ] [ -1.3882567 1.0106164 -0.5839754 ] [ 0.2496544 -0.5635148 -1.0575495 ] [ 2.5013757 -1.2083693 -2.1830522 ] [ -0.2070243 0.9565473 1.1802686 ] [ 0.750672 -2.0508476 -1.7434571 ] [ -0.5921739 1.2977497 3.6333078 ] [ 0.1796254 -1.6699399 -1.5912456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.393447754173711e-09 3.569262265053153e-09 3.758231307028733e-09 ] [ -2.224232428408959e-09 1.619185968677061e-09 -9.356317330023284e-10 ] [ 3.999904429598515e-10 -9.028502380347879e-10 -1.69438108423873e-09 ] [ 4.007645666377235e-09 -1.936021041752461e-09 -3.497635196826006e-09 ] [ -3.316894933974855e-10 1.532557720749364e-09 1.890998757184347e-09 ] [ 1.202709128289178e-09 -3.28582007754379e-09 -2.793326204987768e-09 ] [ -9.487671780279572e-10 2.079224228990214e-09 5.821200813330283e-09 ] [ 2.877916163818483e-10 -2.67553866592109e-09 -2.549456498270868e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.767344 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.730560234491116e-18 } }