{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.8920923 1.3857909 -101.1944054 ] [ -53.8431253 31.1472051 -27.686208 ] [ -29.7862848 -51.8527533 86.7749768 ] [ -29.8983979 50.9046527 -75.3321205 ] [ 42.4061592 59.5548822 36.5661692 ] [ 42.4493191 -12.302252 13.4659259 ] [ 48.5644219 -78.8375257 67.4056621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.18706452218557e-08 2.22028178129739e-09 -1.621313104876373e-07 ] [ -8.626619654646498e-08 4.990332381448252e-08 -4.435819517620593e-08 ] [ -4.772288912705041e-08 -8.307726906137006e-08 1.390288390994224e-07 ] [ -4.790251411475582e-08 8.155824444588359e-08 -1.206953622603884e-07 ] [ 6.794215684816283e-08 9.541743991533809e-08 5.858546140445704e-08 ] [ 6.80113066308989e-08 -1.971038053759004e-08 2.15747916544052e-08 ] [ 7.780878137084752e-08 -1.263116405182592e-07 1.079957759261646e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 57.935409 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.282275781628592e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5855105 1.1903225 0.8202045 ] [ 0.7041334 3.1079047 1.7401784 ] [ 1.4681322 1.155005 3.6547387 ] [ 2.6728777 4.7788753 2.5370694 ] [ 4.4785194 1.2966369 3.2054843 ] [ 4.4688404 3.2850398 1.1783559 ] [ 3.0714863 3.2408847 4.7231229 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5855105e-10 1.1903225e-10 8.202045e-11 ] [ 7.041334000000001e-11 3.1079047e-10 1.7401784e-10 ] [ 1.4681322e-10 1.155005e-10 3.6547387e-10 ] [ 2.6728777e-10 4.7788753e-10 2.5370694e-10 ] [ 4.4785194e-10 1.2966369e-10 3.2054843e-10 ] [ 4.468840400000001e-10 3.2850398e-10 1.1783559e-10 ] [ 3.0714863e-10 3.2408847e-10 4.7231229e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.71e-05 -2.26e-05 -2.83e-05 ] [ 2.02e-05 1.42e-05 4.1e-06 ] [ -3.18e-05 6.1e-06 2.1e-05 ] [ -1e-06 -1.7e-05 8.7e-06 ] [ 4.48e-05 3.21e-05 -1.22e-05 ] [ 6e-07 -6.7e-06 1.63e-05 ] [ -1.57e-05 -6.1e-06 -9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.739722021568e-14 -3.620919163008e-14 -4.534159836864e-14 ] [ 3.236396774016e-14 2.275090801536e-14 6.568924145279999e-15 ] [ -5.094921654144e-14 9.77327738688e-15 3.36457090368e-14 ] [ -1.6021766208e-15 -2.72370025536e-14 1.393893660096e-14 ] [ 7.177751261183999e-14 5.142986952768e-14 -1.954655477376e-14 ] [ 9.6130597248e-16 -1.073458335936e-14 2.611547891904e-14 ] [ -2.515417294656e-14 -9.77327738688e-15 -1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554877298047e-18 } }