{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.003128669998934e-09 4.799654922520146e-10 -6.084461183035737e-10 ] [ 1.570060509783078e-09 2.941167853760398e-09 9.877814604857339e-10 ] [ 1.976258906495543e-09 -1.154989258944622e-09 3.89358879557209e-10 ] [ -8.23176558164997e-10 -8.078527000930176e-11 -3.327257171487541e-09 ] [ -4.808244191384256e-11 -7.66479372778775e-10 -1.06893138589393e-09 ] [ 2.188881843229967e-09 -3.439821935205735e-10 -1.629445026015368e-09 ] [ -7.137541434531783e-10 -1.535035166458107e-09 3.609999207813614e-09 ] [ -1.147059445977635e-09 4.601379156989664e-10 1.646939993626193e-09 ] ] "source-value" [ [ -1.8744055 0.2995709 -0.3797622 ] [ 0.9799547 1.8357326 0.6165247 ] [ 1.2334838 -0.7208876 0.2430187 ] [ -0.5137864 -0.0504222 -2.0767106 ] [ -0.0300107 -0.4783988 -0.6671745 ] [ 1.3661926 -0.2146968 -1.0170196 ] [ -0.4454903 -0.9580936 2.2531843 ] [ -0.7159382 0.2871955 1.0279391 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.759977959643287e-18 "source-value" -35.950955 } }