{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9925273 0.3379082 1.803379 ] [ 1.204741 2.296652 0.0005587 ] [ 2.970089 0.0748089 0.2894365 ] [ 2.914059 2.502311 2.040612 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.925273e-11 3.379082e-11 1.803379e-10 ] [ 1.204741e-10 2.296652e-10 5.587e-14 ] [ 2.970089000000001e-10 7.48089e-12 2.894365e-11 ] [ 2.914059e-10 2.502311e-10 2.040612e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3560644 1.1841794 -1.0399631 ] [ 1.2814533 -1.0641885 1.7294466 ] [ -1.162353 1.4171669 1.0244505 ] [ -1.4751648 -1.5371577 -1.7139341 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.17265467797918e-09 1.897264549512972e-09 -1.666204565314692e-09 ] [ 2.053114517907009e-09 -1.705017934824221e-09 2.770878909442049e-09 ] [ -1.862294801716742e-09 2.270551674951612e-09 1.64135064026687e-09 ] [ -2.363474554387108e-09 -2.4627981294227e-09 -2.746025144611889e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5076751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.222091659382303e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8351654 0.1957006 1.004223 ] [ 0.9256284 2.4804359 0.8178661 ] [ 3.1150797 0.1254042 1.2491272 ] [ 3.2055428 2.4101396 1.06277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.351653999999999e-11 1.957006e-11 1.004223e-10 ] [ 9.256284e-11 2.4804359e-10 8.178661e-11 ] [ 3.1150797e-10 1.254042e-11 1.2491272e-10 ] [ 3.2055428e-10 2.4101396e-10 1.06277e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 -1.9e-06 2e-07 ] [ 3e-07 1.6e-06 -2e-07 ] [ -2e-07 -1e-06 0.0 ] [ 1e-07 1.3e-06 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 -3.04413557952e-15 3.2043532416e-16 ] [ 4.8065298624e-16 2.56348259328e-15 -3.2043532416e-16 ] [ -3.2043532416e-16 -1.6021766208e-15 0.0 ] [ 1.6021766208e-16 2.08282960704e-15 0.0 ] ] } "relaxed-potential-energy" { "source-value" -6.5960346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.056801242610788e-18 } }