{ "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" [ [ -11.3830196 -10.3397923 -30.5293021 ] [ 19.6648653 10.1082444 26.1520197 ] [ -7.2520035 -4.1579822 -3.3135878 ] [ -3.3384011 8.0225324 3.4970451 ] [ -5.8838589 4.8412006 -5.2252386 ] [ -0.4741475 -4.6106985 8.2125507 ] [ 8.6665653 -3.8635045 1.206513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.823760787722817e-08 -1.656617348698786e-08 -4.891333407396035e-08 ] [ 3.150658743484117e-08 1.619519285501253e-08 4.190015455004103e-08 ] [ -1.161899046165977e-08 -6.661821870542551e-09 -5.308952904128107e-09 ] [ -5.348708193273003e-09 1.285351385089051e-08 5.602883901103198e-09 ] [ -9.426981169666006e-09 7.756458417922932e-09 -8.371755123021724e-09 ] [ -7.596680393107681e-10 -7.387153342257629e-09 1.315795672867467e-08 ] [ 1.388536830629654e-08 -6.190016584255594e-09 1.93304692129127e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -38.19586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.119651390334989e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.695899 2.3425405 2.0270045 ] [ 2.8924712 2.7891634 3.8252118 ] [ 1.9001254 4.4365736 2.7453575 ] [ 3.632987 1.3066835 2.3696384 ] [ 5.0344014 2.7605224 3.2997473 ] [ 3.5982688 3.4273267 1.7642654 ] [ 3.9634361 4.694902 3.5319502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.695899e-10 2.3425405e-10 2.0270045e-10 ] [ 2.8924712e-10 2.7891634e-10 3.8252118e-10 ] [ 1.9001254e-10 4.4365736e-10 2.7453575e-10 ] [ 3.632987e-10 1.3066835e-10 2.3696384e-10 ] [ 5.034401400000001e-10 2.7605224e-10 3.2997473e-10 ] [ 3.5982688e-10 3.4273267e-10 1.7642654e-10 ] [ 3.9634361e-10 4.694902e-10 3.5319502e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.57e-05 2.63e-05 6.7e-06 ] [ -3.39e-05 -5.44e-05 9.62e-05 ] [ 5.8e-06 4.08e-05 -9.45e-05 ] [ 4.72e-05 6.8e-06 -1.82e-05 ] [ 7.15e-05 -1.37e-05 -5.46e-05 ] [ -7.1e-06 -2.08e-05 3.79e-05 ] [ -2.78e-05 1.49e-05 2.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.924123777856e-14 4.213724512704e-14 1.073458335936e-14 ] [ -5.431378744512e-14 -8.715840817152e-14 1.5412939092096e-13 ] [ 9.292624400640001e-15 6.536880612864e-14 -1.514056906656e-13 ] [ 7.562273650176e-14 1.089480102144e-14 -2.915961449856e-14 ] [ 1.145556283872e-13 -2.194981970496e-14 -8.747884349568e-14 ] [ -1.137545400768e-14 -3.332527371264e-14 6.072249392832e-14 ] [ -4.454051005824e-14 2.387243164992e-14 4.229746278912e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }