{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0005406999999999999 -0.6166615999999999 2.2312100999999998 ] [ 0.009482199999999998 -1.4343383999999997 -3.0010273999999995 ] [ -0.052021899999999996 0.46756329999999996 2.6403616999999997 ] [ -1.0466756999999998 0.08582719999999999 -0.6702044999999999 ] [ 0.5253626999999998 -2.7587712999999994 -2.4219574999999995 ] [ 1.5277489999999998 2.2913492999999994 1.0287412999999999 ] [ -0.09018429999999998 -1.3487925999999997 0.5431157999999999 ] [ -0.8742525999999999 3.3138240999999997 -0.3502394999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.662969060037997e-13 -9.88000806605054e-10 3.574792687764802e-09 ] [ 1.51921592789148e-11 -2.298063469728945e-09 -4.80817597827377e-09 ] [ -8.334827263628458e-11 7.49118994175932e-10 4.230325821048517e-09 ] [ -1.676959349915593e-09 1.375103344016448e-10 -1.073785989901653e-09 ] [ 8.417238423151515e-10 -4.420038915409802e-09 -3.880403715041054e-09 ] [ 2.447723750416865e-09 3.671146308792255e-09 1.648225273290784e-09 ] [ -1.444911782136462e-10 -2.161003987832108e-09 8.701674443162169e-10 ] [ -1.400707087933748e-09 5.309331542206079e-09 -5.611455432038428e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.021438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.771270628667969e-18 } }