{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0443645 -1.6687793 -0.4832351 ] [ -1.7509953 2.6977999 -1.021348 ] [ -1.1624011 -1.4521525 0.3101188 ] [ 0.8228656 -0.0439254 -0.2674149 ] [ 0.3777925 0.9082465 1.5253973 ] [ -1.4192178 -0.2786718 0.1152592 ] [ 2.0875917 -0.1625174 -0.1787774 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.673256385493481e-09 -2.673679179734989e-09 -7.742279795699501e-10 ] [ -2.805403732790683e-09 4.322351927376578e-09 -1.636379887300838e-09 ] [ -1.862371866412203e-09 -2.326604785336272e-09 4.96865091030551e-10 ] [ 1.318376026380564e-09 -7.037624893928832e-11 -4.2844590083357e-10 ] [ 6.05290311013584e-10 1.455171308223427e-09 2.443955891491444e-09 ] [ -2.27383757898321e-09 -4.464814428362535e-10 1.846655955721114e-10 ] [ 3.344690615516128e-09 -2.603815787532019e-10 -2.864329706074099e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.122451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.223972054539359e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6454145 2.2918501 3.9414578 ] [ 1.6289508 5.1769719 2.464659 ] [ 0.9747648 2.8780834 2.3479492 ] [ 2.6530694 3.6665417 0.8353009 ] [ 2.8820373 4.6125192 4.4236488 ] [ 4.2675565 2.5690721 2.2193042 ] [ 4.0628442 4.9485645 2.3695701 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6454145e-10 2.2918501e-10 3.9414578e-10 ] [ 1.6289508e-10 5.1769719e-10 2.464659e-10 ] [ 9.747648e-11 2.8780834e-10 2.3479492e-10 ] [ 2.6530694e-10 3.6665417e-10 8.353009000000001e-11 ] [ 2.8820373e-10 4.612519200000001e-10 4.4236488e-10 ] [ 4.2675565e-10 2.5690721e-10 2.2193042e-10 ] [ 4.0628442e-10 4.9485645e-10 2.3695701e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-06 -3e-06 -1.2e-06 ] [ 6.4e-06 2e-06 6.8e-06 ] [ 9.3e-06 -1.3e-06 -3.5e-06 ] [ -2.5e-06 -5e-06 -6.5e-06 ] [ -1.6e-06 1.03e-05 5e-07 ] [ -6.8e-06 1e-07 -1.7e-06 ] [ -6.3e-06 -3e-06 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.24304726912e-15 -4.8065298624e-15 -1.92261194496e-15 ] [ 1.025393037312e-14 3.2043532416e-15 1.089480102144e-14 ] [ 1.490024257344e-14 -2.08282960704e-15 -5.6076181728e-15 ] [ -4.005441552e-15 -8.010883104e-15 -1.04141480352e-14 ] [ -2.56348259328e-15 1.650241919424e-14 8.010883104e-16 ] [ -1.089480102144e-14 1.6021766208e-16 -2.72370025536e-15 ] [ -1.009371271104e-14 -4.8065298624e-15 8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }