{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.3933025 -5.1465801 -4.2948318 ] [ -3.3835598 5.9519634 1.191541 ] [ 4.4393087 -8.2381428 -0.4543554 ] [ 6.9653956 8.3210726 -9.0324065 ] [ 2.372158 -0.8883131 12.5900527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.66519062784022e-08 -8.245730313294528e-09 -6.881079100228381e-09 ] [ -5.421060406638725e-09 9.53609660733728e-09 1.909059132924653e-09 ] [ 7.112556611654041e-09 -1.319895979297185e-08 -7.279575994142324e-10 ] [ 1.115979398494319e-08 1.333182797969947e-08 -1.447151052386196e-08 ] [ 3.800616088443687e-09 -1.423234480770372e-09 2.017148809057991e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6812517 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.500192029820256e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0933139 2.4602522 2.0652257 ] [ 2.7770332 4.6698121 3.0059779 ] [ 4.5066528 1.9319017 2.427571 ] [ 4.7577246 4.2536169 1.5436868 ] [ 4.0744946 3.1887042 4.5414156 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0933139e-10 2.4602522e-10 2.0652257e-10 ] [ 2.7770332e-10 4.6698121e-10 3.0059779e-10 ] [ 4.506652800000001e-10 1.9319017e-10 2.427571e-10 ] [ 4.757724600000001e-10 4.2536169e-10 1.5436868e-10 ] [ 4.0744946e-10 3.1887042e-10 4.5414156e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 -9.5e-06 -5.4e-06 ] [ -2.5e-06 1.7e-05 7.2e-06 ] [ 3.9e-06 -1.27e-05 -2.6e-06 ] [ 2e-06 5.4e-06 -9e-06 ] [ -1.6e-06 -1e-07 9.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-15 -1.52206778976e-14 -8.65175375232e-15 ] [ -4.005441552e-15 2.72370025536e-14 1.153567166976e-14 ] [ 6.24848882112e-15 -2.034764308416e-14 -4.16565921408e-15 ] [ 3.2043532416e-15 8.65175375232e-15 -1.44195895872e-14 ] [ -2.56348259328e-15 -1.6021766208e-16 1.570133088384e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }