{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.180338 1.724614 2.454285 ] [ 2.279675 2.151595 5.035575 ] [ 1.206438 3.673046 1.250197 ] [ 2.791298 3.409437 3.168578 ] [ 3.407643 1.775427 1.527211 ] [ 3.723971 4.511514 1.482617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.180338e-10 1.724614e-10 2.454285e-10 ] [ 2.279675e-10 2.151595e-10 5.035575e-10 ] [ 1.206438e-10 3.673046e-10 1.250197e-10 ] [ 2.791298e-10 3.409437e-10 3.168578e-10 ] [ 3.407643e-10 1.775427e-10 1.527211e-10 ] [ 3.723971e-10 4.511514e-10 1.482617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2461013 -3.6458284 1.5498946 ] [ -0.4615352 -0.5669431 0.8012036 ] [ -1.6040225 2.7154187 -2.5373679 ] [ 0.5873279 1.4383847 4.5757509 ] [ 2.0301642 -1.8240441 -1.9302188 ] [ 1.694167 1.8830123 -2.4592625 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.598650990808487e-09 -5.841261025928672e-09 2.483204892824168e-09 ] [ -7.394609071162521e-10 -9.083429801438765e-10 1.283669676420795e-09 ] [ -2.569927348737168e-09 4.350580356823128e-09 -4.065311527748393e-09 ] [ 9.410030301235603e-10 2.304546338056422e-09 7.331161114584559e-09 ] [ 3.252681617625136e-09 -2.922440812328177e-09 -3.092551434388631e-09 ] [ 2.714354759130874e-09 3.016918283738836e-09 -3.94017288191016e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.758842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.723756511928111e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3729016 1.5577882 2.3606171 ] [ 1.898532 2.2079654 4.5927464 ] [ 0.9824806 3.7626803 1.3519105 ] [ 3.3081871 3.9625384 3.8297598 ] [ 3.6086835 1.6511515 1.348678 ] [ 3.4185782 4.1035092 1.4347511 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3729016e-10 1.5577882e-10 2.3606171e-10 ] [ 1.898532e-10 2.2079654e-10 4.5927464e-10 ] [ 9.824806e-11 3.7626803e-10 1.3519105e-10 ] [ 3.3081871e-10 3.9625384e-10 3.8297598e-10 ] [ 3.6086835e-10 1.6511515e-10 1.348678e-10 ] [ 3.4185782e-10 4.1035092e-10 1.4347511e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.17e-05 -2.91e-05 -1.66e-05 ] [ -3.34e-05 1.48e-05 2.61e-05 ] [ -6.7e-06 -9e-07 4.37e-05 ] [ 1.59e-05 -3.3e-06 -4e-05 ] [ 5.24e-05 7.3e-06 -1.13e-05 ] [ 1.34e-05 1.11e-05 -1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.681076508736e-14 -4.662333966527999e-14 -2.659613190528e-14 ] [ -5.351269913472e-14 2.371221398784e-14 4.181680980288e-14 ] [ -1.073458335936e-14 -1.44195895872e-15 7.001511832895999e-14 ] [ 2.547460827072e-14 -5.28718284864e-15 -6.4087064832e-14 ] [ 8.395405492992e-14 1.169588933184e-14 -1.810459581504e-14 ] [ 2.146916671872e-14 1.778416049088e-14 -2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.053047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.411763997520358e-18 } }