{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0486819 -0.278327 0.0673379 ] [ -0.4479289 0.24196 -0.374109 ] [ 0.99957 0.2321297 1.3067672 ] [ -0.1242662 0.3589254 -1.3326181 ] [ 0.0953849 -2.4129745 0.1275229 ] [ 0.3610812 0.3919414 0.1426298 ] [ -0.2414435 -0.0580094 -0.3172307 ] [ -0.6910794 1.5243544 0.3797 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.799700203612352e-11 -4.459290123374016e-10 1.078872090737683e-10 ] [ -7.176612113606611e-10 3.87662655168768e-10 -5.993886934308672e-10 ] [ 1.601487684853056e-09 3.719127783333178e-10 2.093671856668278e-09 ] [ -1.99096400395657e-10 5.750618844912884e-10 -2.135089564274916e-09 ] [ 1.528234567573459e-10 -3.866011330486569e-09 2.043142089966163e-10 ] [ 5.78515856850409e-10 6.279593478036211e-10 2.285181309893798e-10 ] [ -3.868351309441248e-10 -9.294130446663553e-11 -5.082596109400186e-10 ] [ -1.107231257796491e-09 2.442284981493612e-09 6.0834646291776e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.725946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.685233516196328e-18 } }