{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4241171 -4.8743804 -6.5611464 ] [ 1.4990283 -0.5313924 9.8297362 ] [ -5.4723093 4.5939827 -1.8526169 ] [ 0.1368759 0.1300062 -0.7581535 ] [ 3.4883475 -0.4912913 0.1121505 ] [ 2.417241 -0.7458243 -1.6866271 ] [ 3.3549337 1.9188995 0.9166571 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.690393606101496e-09 -7.809618317765753e-09 -1.051211536772608e-08 ] [ 2.401708096177569e-09 -8.513844797508019e-10 1.574897352827143e-08 ] [ -8.767606022246413e-09 7.360371678299661e-09 -2.968219484478971e-09 ] [ 2.192993669309587e-10 2.082928941990489e-10 -1.214695812677693e-09 ] [ 5.588948809726128e-09 -7.87135434862439e-10 1.796849091110304e-10 ] [ 3.872847017039213e-09 -1.194942256684526e-09 -2.702274507627704e-09 ] [ 5.375196338474041e-09 3.07441591656481e-09 1.468646574910328e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.269427158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.442552999044493e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8527358 2.1239941 2.3881676 ] [ 2.5627599 3.0689377 4.5094922 ] [ 1.8384896 4.5112004 2.6364958 ] [ 3.9375873 1.2525682 1.5823348 ] [ 4.6919356 2.4398798 3.5256777 ] [ 3.7546386 3.600611 1.3867559 ] [ 4.0794422 4.7605208 3.5342511 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8527358e-10 2.1239941e-10 2.3881676e-10 ] [ 2.5627599e-10 3.068937700000001e-10 4.509492200000001e-10 ] [ 1.8384896e-10 4.5112004e-10 2.6364958e-10 ] [ 3.9375873e-10 1.2525682e-10 1.5823348e-10 ] [ 4.6919356e-10 2.4398798e-10 3.5256777e-10 ] [ 3.7546386e-10 3.600611e-10 1.3867559e-10 ] [ 4.0794422e-10 4.7605208e-10 3.5342511e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.74e-05 -4.98e-05 2.75e-05 ] [ 2.3e-06 9.37e-05 -2.39e-05 ] [ 1.48e-05 -5.11e-05 -1.85e-05 ] [ -2.93e-05 9e-05 -1.8e-05 ] [ -5.18e-05 -2.89e-05 -4.34e-05 ] [ 3.3e-06 -2.39e-05 5.71e-05 ] [ 3.4e-06 -3.01e-05 1.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.196493803392e-14 -7.978839571583999e-14 4.4059857072e-14 ] [ 3.68500622784e-15 1.5012394936896e-13 -3.829202123712e-14 ] [ 2.371221398784e-14 -8.187122532288001e-14 -2.96402674848e-14 ] [ -4.694377498944e-14 1.44195895872e-13 -2.88391791744e-14 ] [ -8.299274895744e-14 -4.630290434112001e-14 -6.953446534272e-14 ] [ 5.28718284864e-15 -3.829202123712e-14 9.148428504768e-14 ] [ 5.44740051072e-15 -4.822551628608e-14 3.076179111936e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103201158928929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.29827594504754e-18 } }