{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2351037 -0.9591524 0.6798742 ] [ 0.8688669 0.7446465 1.9084131 ] [ -0.2984017 0.1404915 -2.2689178 ] [ 1.1968013 0.7451547 -0.9355947 ] [ -2.9590405 0.7843392 1.2412711 ] [ -0.5145215 0.5548769 -0.7854569 ] [ 0.1617766 0.0413901 0.6735524 ] [ 1.7796226 -2.0517466 -0.5131413 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.766776547069457e-10 -1.536731563725021e-09 1.089278557299443e-09 ] [ 1.392078245236014e-09 1.193055222889881e-09 3.057614876839505e-09 ] [ -4.780922312858778e-10 2.25092198575611e-10 -3.635207083626685e-09 ] [ 1.917487078400824e-09 1.193869449055279e-09 -1.49898796723424e-09 ] [ -4.740905548159677e-09 1.256649939370253e-09 1.988735552879477e-09 ] [ -8.243543249906309e-10 8.890108039263546e-10 -1.258440692194074e-09 ] [ 2.591946884479643e-10 6.631425109892339e-11 1.079149917054622e-09 ] [ 2.851269747058328e-09 -3.287260461408944e-09 -8.221430008003841e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.857606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.74502184843782e-18 } }