{ "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" [ [ 1.3977566 -1.8709439 -0.3233346 ] [ -2.3768861 4.3739471 -2.4850236 ] [ -5.0751716 -1.9658705 0.2436718 ] [ 2.3171604 -0.7789862 -2.4195866 ] [ 1.7202843 0.8818648 5.9825353 ] [ -0.5086046 -0.1377865 -0.1483035 ] [ 2.525461 -0.5022248 -0.8499588 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.239452964539284e-09 -2.997582600104833e-09 -5.180391410837364e-10 ] [ -3.808191371099387e-09 7.00783584197206e-09 -3.981446746858562e-09 ] [ -8.131321351060393e-09 -3.149671780569897e-09 3.904052643247212e-10 ] [ 3.712500250110093e-09 -1.248073487848451e-09 -3.876605114459504e-09 ] [ 2.756199309297046e-09 1.412903176907083e-09 9.58507826974018e-09 ] [ -8.148744060649162e-10 -2.20758310780641e-10 -2.37608402440419e-10 ] [ 4.046234604278274e-09 -8.046528395753231e-10 -1.361784129222679e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.91807106491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.550356151856053e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6046961 2.1986864 3.4837188 ] [ 1.4386475 5.3127887 2.4408934 ] [ 0.5142722 3.1287951 2.5846751 ] [ 2.6180871 3.3501056 1.138268 ] [ 2.885202 4.4731942 4.2621328 ] [ 4.7521379 2.6742928 2.3857449 ] [ 4.3015946 5.0057402 2.3064571 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6046961e-10 2.1986864e-10 3.4837188e-10 ] [ 1.4386475e-10 5.3127887e-10 2.4408934e-10 ] [ 5.142722e-11 3.1287951e-10 2.5846751e-10 ] [ 2.6180871e-10 3.3501056e-10 1.138268e-10 ] [ 2.885202e-10 4.4731942e-10 4.2621328e-10 ] [ 4.7521379e-10 2.6742928e-10 2.3857449e-10 ] [ 4.3015946e-10 5.0057402e-10 2.3064571e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.07e-05 2.6e-06 -2.07e-05 ] [ 1.13e-05 -3.95e-05 -3.9e-06 ] [ 0.0001067 9.8e-06 3e-06 ] [ -2.16e-05 1.23e-05 9.9e-06 ] [ -3.2e-06 3.8e-05 -6.1e-06 ] [ -2.85e-05 -7.07e-05 -7.2e-06 ] [ -4.41e-05 4.75e-05 2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.316505632379999e-14 4.165659248399999e-15 -3.316505632379999e-14 ] [ 1.81045959642e-14 -6.328597704299999e-14 -6.248488872599999e-15 ] [ 1.709522468478e-13 1.57013310132e-14 4.806529901999999e-15 ] [ -3.46070152944e-14 1.97067725982e-14 1.58615486766e-14 ] [ -5.1269652288e-15 6.088271209199999e-14 -9.773277467399999e-15 ] [ -4.5662034069e-14 -1.132738880238e-13 -1.15356717648e-14 ] [ -7.06559895594e-14 7.6103390115e-14 3.989419818659999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }