{ "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" [ [ 0.284773 1.136187 2.117179 ] [ 0.232979 2.36751 0.607179 ] [ 0.4870779 2.766051 2.845032 ] [ 1.778488 1.070505 1.035652 ] [ 2.177899 0.7799475 2.527686 ] [ 2.528264 2.860392 0.629956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.84773e-11 1.136187e-10 2.117179e-10 ] [ 2.32979e-11 2.36751e-10 6.07179e-11 ] [ 4.870779e-11 2.766051e-10 2.845032e-10 ] [ 1.778488e-10 1.070505e-10 1.035652e-10 ] [ 2.177899e-10 7.799475000000001e-11 2.527686e-10 ] [ 2.528264e-10 2.860392e-10 6.29956e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.9823673 -7.6475643 5.7399536 ] [ -17.5020983 9.7627119 -8.6691308 ] [ -5.6609484 10.0952168 5.8109271 ] [ 3.89998 -0.3213395 -39.3907154 ] [ 19.5739253 -12.2313459 36.9676803 ] [ 9.6715087 0.342321 -0.4587148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.599351564006567e-08 -1.225274882847256e-08 9.196419538164181e-09 ] [ -2.804145294223112e-08 1.564158889065374e-08 -1.388947880484973e-08 ] [ -9.069839252759685e-09 1.617432047212425e-08 9.31013162149738e-09 ] [ 6.248456829067319e-09 -5.14842638481243e-10 -6.311088381042395e-08 ] [ 3.136088575132144e-08 -1.95967766033517e-08 5.92287535898421e-08 ] [ 1.549546525466772e-08 5.48458707527514e-10 -7.349421342299831e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 9.3311897 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.495021410476147e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.2139613 1.1421685 2.587923 ] [ -0.0969464 1.8512273 0.2294001 ] [ -0.0268324 3.2849688 3.7485099 ] [ 2.2500535 1.0959133 0.2157984 ] [ 2.1329295 0.3864972 2.5742155 ] [ 3.4442381 3.2198175 0.4068372 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.139613e-11 1.1421685e-10 2.587923e-10 ] [ -9.69464e-12 1.8512273e-10 2.294001e-11 ] [ -2.68324e-12 3.2849688e-10 3.7485099e-10 ] [ 2.2500535e-10 1.0959133e-10 2.157984e-11 ] [ 2.1329295e-10 3.864972e-11 2.574215500000001e-10 ] [ 3.444238100000001e-10 3.2198175e-10 4.068372e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.1e-06 3.13e-05 2.97e-05 ] [ -2.28e-05 3.5e-06 -1.29e-05 ] [ -4.08e-05 -4.61e-05 9.1e-06 ] [ -2.15e-05 -2.12e-05 -5.1e-06 ] [ 1.12e-05 2.5e-05 -1.5e-06 ] [ 6.58e-05 7.4e-06 -1.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.29776307354e-14 5.014812864419999e-14 4.75846460298e-14 ] [ -3.65296272552e-14 5.607618218999999e-15 -2.06680785786e-14 ] [ -6.53688066672e-14 -7.386034282739999e-14 1.45798073694e-14 ] [ -3.4446797631e-14 -3.39661446408e-14 -8.1711008334e-15 ] [ 1.79443783008e-14 4.005441585e-14 -2.403264951e-15 ] [ 1.054232225172e-13 1.18561070916e-14 -3.076179137279999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.680789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.352121710448423e-18 } }