{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6217644 0.43304 0.1309089 ] [ 0.3258769 0.0411118 -0.8276931 ] [ 0.0347809 0.0855336 -0.2984672 ] [ 0.774383 -0.1842865 0.4341206 ] [ -0.6435714 -0.1196216 0.0176952 ] [ 0.322669 -0.4590443 1.2343816 ] [ -0.1435573 0.5087781 0.5995337 ] [ -0.0488167 -0.3055111 -1.2904797 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.961763853257395e-10 6.93806563871232e-10 2.097391790346451e-10 ] [ 5.221123504387796e-10 6.586836479900543e-11 -1.326110534017477e-09 ] [ 5.572514483038272e-11 1.370399342128589e-10 -4.781971699156378e-10 ] [ 1.240698338144967e-09 -2.952595218290592e-10 6.955378759276685e-10 ] [ -1.031115050895525e-09 -1.916549308626893e-10 2.835083574038016e-11 ] [ 5.169727280569152e-10 -7.354700453715014e-10 1.977697340665697e-09 ] [ -2.300041498051718e-10 8.151523769950445e-10 9.60558877521721e-10 ] [ -7.821297544460736e-11 -4.894827418148909e-10 -2.067576404956997e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.92545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.717197580651936e-18 } }