{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8638679 -1.6692284 1.1037407 ] [ -2.4694218 2.3941391 -6.4334485 ] [ -3.169021 0.4801799 7.7579794 ] [ 3.4552999 -1.6615099 -0.7359511 ] [ 3.0470108 0.4564193 -1.6923205 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.384068964242648e-09 -2.674398739289205e-09 1.768387559534804e-09 ] [ -3.956449907450221e-09 3.835833724565789e-09 -1.030752086274235e-08 ] [ -5.077331398855313e-09 7.693330158964564e-10 1.242965332173334e-08 ] [ 5.536000763242536e-09 -2.662032338939677e-09 -1.179123656186597e-09 ] [ 4.881849507305646e-09 7.31264337766636e-10 -2.711396362339197e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.479935432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.198417777408407e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9679474 -0.1340517 2.0666162 ] [ 0.6087025 2.1693636 0.041319 ] [ 0.7016779 2.206841 2.4218236 ] [ 2.3737614 0.5873216 0.2833161 ] [ 3.0365054 2.1559338 1.9497712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.679474e-11 -1.340517e-11 2.0666162e-10 ] [ 6.087025000000001e-11 2.1693636e-10 4.1319e-12 ] [ 7.016779e-11 2.206841e-10 2.4218236e-10 ] [ 2.3737614e-10 5.873216000000001e-11 2.833161e-11 ] [ 3.0365054e-10 2.1559338e-10 1.9497712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.54e-05 2.57e-05 -1.02e-05 ] [ 2.4e-06 -1.03e-05 7.5e-06 ] [ -5.1e-06 -3.5e-06 -4.1e-06 ] [ -9.5e-06 1e-06 2.5e-06 ] [ -3.2e-06 -1.29e-05 4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.46735201636e-14 4.11759394938e-14 -1.63422016668e-14 ] [ 3.845223921599999e-15 -1.65024193302e-14 1.2016324755e-14 ] [ -8.1711008334e-15 -5.607618218999999e-15 -6.568924199399999e-15 ] [ -1.5220678023e-14 1.602176634e-15 4.005441585e-15 ] [ -5.1269652288e-15 -2.06680785786e-14 6.729141862799999e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }