{ "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" [ [ 0.9320143 3.012582 2.150962 ] [ 2.172573 2.316103 4.293659 ] [ 2.198257 4.51425 3.345177 ] [ 3.106694 2.5483 1.973249 ] [ 3.92193 5.175884 1.747773 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.320143e-11 3.012582e-10 2.150962e-10 ] [ 2.172573e-10 2.316103e-10 4.293659e-10 ] [ 2.198257e-10 4.51425e-10 3.345177e-10 ] [ 3.106694e-10 2.5483e-10 1.973249e-10 ] [ 3.92193e-10 5.175884e-10 1.747773e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6688254 -0.3856187 0.8648813 ] [ -0.0189588 0.9597436 -2.5270165 ] [ 1.0357582 -0.6382435 -0.5207703 ] [ 0.6791186 1.8924593 1.5242831 ] [ -1.0270926 -1.8283407 0.6586225 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.071576428105704e-09 -6.178292707734557e-10 1.385692610043544e-09 ] [ -3.03753463686792e-11 1.537678770551042e-09 -4.048726790032461e-09 ] [ 1.659467586513899e-09 -1.022578822502379e-09 -8.343660063411701e-10 ] [ 1.088067952634792e-09 3.032054071255996e-09 2.442170766421085e-09 ] [ -1.645583764674308e-09 -2.929324748531203e-09 1.055229580126665e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.979338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.880607523838829e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9593996 3.0633409 2.1699932 ] [ 2.0723761 2.2833085 4.1091508 ] [ 2.2990493 4.5034743 3.4290323 ] [ 3.2725675 2.7423726 2.1618777 ] [ 3.7280757 4.9746228 1.6407661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.593996000000001e-11 3.0633409e-10 2.1699932e-10 ] [ 2.0723761e-10 2.2833085e-10 4.1091508e-10 ] [ 2.2990493e-10 4.5034743e-10 3.4290323e-10 ] [ 3.2725675e-10 2.7423726e-10 2.1618777e-10 ] [ 3.728075700000001e-10 4.9746228e-10 1.6407661e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 -6.6e-06 -8.9e-06 ] [ -1.65e-05 -1.38e-05 2.27e-05 ] [ 1.64e-05 5.8e-06 1.1e-06 ] [ 4.4e-06 -3e-06 -7e-06 ] [ -4e-07 1.76e-05 -7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.248488872599999e-15 -1.05743657844e-14 -1.42593720426e-14 ] [ -2.6435914461e-14 -2.21100375492e-14 3.636940959179999e-14 ] [ 2.62756967976e-14 9.2926244772e-15 1.7623942974e-15 ] [ 7.0495771896e-15 -4.806529901999999e-15 -1.1215236438e-14 ] [ -6.408706536e-16 2.81983087584e-14 -1.24969777452e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.979559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.04086059534244e-18 } }