{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4017197 -4.269914 -2.9849294 ] [ -1.6266976 4.2346047 -3.1102422 ] [ -1.5010223 0.6145774 5.2431374 ] [ 9.9547132 -8.5453486 -2.7545001 ] [ -10.0808167 8.4071415 2.6388631 ] [ -1.1478963 -0.4410609 0.9676712 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.05233239465479e-09 -6.841156383626611e-09 -4.782384099418572e-09 ] [ -2.60625686383147e-09 6.784584648669798e-09 -4.983157337865558e-09 ] [ -2.404902836359444e-09 9.8466154195205e-10 8.400432161922098e-09 ] [ 1.594920875580916e-08 -1.369115774350601e-08 -4.413195662211262e-09 ] [ -1.615124883531021e-08 1.346972555905744e-08 4.227924764311813e-09 ] [ -1.839132614962823e-09 -7.066574623290067e-10 1.550380173261481e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -5.876527 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.415234170899963e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.2584229 0.458923 1.6568126 ] [ 2.1550448 2.3547434 1.866274 ] [ 1.2368222 2.8776172 3.8123053 ] [ 3.4180835 5.206845 2.1710259 ] [ 4.374187 4.0003343 3.7596289 ] [ 2.3183833 4.1493589 0.578605 ] [ 4.8947793 2.7464732 5.487185 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2584229e-10 4.589230000000001e-11 1.6568126e-10 ] [ 2.1550448e-10 2.3547434e-10 1.866274e-10 ] [ 1.2368222e-10 2.8776172e-10 3.8123053e-10 ] [ 3.4180835e-10 5.206845000000001e-10 2.1710259e-10 ] [ 4.374187e-10 4.0003343e-10 3.7596289e-10 ] [ 2.3183833e-10 4.1493589e-10 5.786050000000001e-11 ] [ 4.8947793e-10 2.7464732e-10 5.487185000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0112926 -0.1054858 -0.1390202 ] [ -0.6312252 -0.0789378 1.0208317 ] [ 0.3123824 -0.3521468 -0.8615274 ] [ 0.9110496 -0.5625413 1.08243 ] [ -0.4382809 1.0923744 -0.8025965 ] [ -0.1730144 0.0682008 -0.384014 ] [ 0.0303811 -0.0614635 0.0838963 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.809273970804608e-11 -1.690068825863847e-10 -2.227349142589402e-10 ] [ -1.011334257899804e-09 -1.264722976573863e-10 1.635552683511519e-09 ] [ 5.004917780293939e-10 -5.642013700495334e-10 -1.38031905845861e-09 ] [ 1.459662369509192e-09 -9.012905190944391e-10 1.734244039652544e-09 ] [ -7.022034113231827e-10 1.750176724840427e-09 -1.285901348235907e-09 ] [ -2.771996267417396e-10 1.092697272798566e-10 -6.152582528598912e-10 ] [ 4.867588813418689e-11 -9.84753827325408e-11 1.34416690431623e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.544076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.330217853833838e-18 } }