{ "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" [ [ 1.6079 1.726733 2.75301 ] [ 2.002918 3.986459 1.396167 ] [ 4.133267 4.619556 1.499098 ] [ 3.466505 3.469363 3.287809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6079e-10 1.726733e-10 2.75301e-10 ] [ 2.002918e-10 3.986459e-10 1.396167e-10 ] [ 4.133267e-10 4.619556e-10 1.499098e-10 ] [ 3.466505e-10 3.469363e-10 3.287809000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4294332 0.9693082 -0.1933278 ] [ -4.0317354 -1.1228982 -1.2147508 ] [ 3.7611886 2.4762318 -2.2016155 ] [ -0.1588865 -2.3226418 3.6096942 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.880278389038487e-10 1.553002949184598e-09 -3.097452838626252e-10 ] [ -6.459552252350642e-09 -1.799081258400659e-09 -1.946245347892807e-09 ] [ 6.026088490987172e-09 3.967360730327761e-09 -3.527376911152227e-09 ] [ -2.54564237758041e-10 -3.721282421111701e-09 5.783367703125322e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6470341 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.064972272042122e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7355489 2.2618261 2.7639309 ] [ 1.7871446 3.7824306 0.9335962 ] [ 3.8697456 4.6392307 1.7041119 ] [ 3.8181509 3.1186237 3.534445 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7355489e-10 2.2618261e-10 2.7639309e-10 ] [ 1.7871446e-10 3.7824306e-10 9.335962e-11 ] [ 3.8697456e-10 4.6392307e-10 1.7041119e-10 ] [ 3.8181509e-10 3.1186237e-10 3.534445e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 -3.8e-06 5e-07 ] [ -7e-07 3.3e-06 -2.4e-06 ] [ -1e-07 -1.2e-06 -9e-07 ] [ 3.2e-06 1.8e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.685006258199999e-15 -6.088271209199999e-15 8.010883169999999e-16 ] [ -1.1215236438e-15 5.2871828922e-15 -3.845223921599999e-15 ] [ -1.602176634e-16 -1.9226119608e-15 -1.4419589706e-15 ] [ 5.1269652288e-15 2.8839179412e-15 4.6463122386e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.6379755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383956251116446e-18 } }