{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2422976 0.2155702 0.7539187 ] [ 0.1069263 2.303076 0.5134626 ] [ 0.4438839 2.233015 2.726304 ] [ 2.36111 0.1695128 0.2725886 ] [ 2.483594 1.001172 2.982027 ] [ 2.63043 2.516837 1.068712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.422976e-11 2.155702e-11 7.539187e-11 ] [ 1.069263e-11 2.303076e-10 5.134626e-11 ] [ 4.438839e-11 2.233015e-10 2.726304e-10 ] [ 2.36111e-10 1.695128e-11 2.725886e-11 ] [ 2.483594e-10 1.001172e-10 2.982027e-10 ] [ 2.63043e-10 2.516837e-10 1.068712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1764548 -1.7127093 -1.9620822 ] [ 0.1499542 1.2419739 -0.4682905 ] [ -3.85358 0.5002125 6.0322804 ] [ 1.6018564 -0.6974493 -1.3420566 ] [ 0.1176575 1.4951572 1.2924162 ] [ 3.1605668 -0.827185 -3.5522673 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.88488837598794e-09 -2.744062798686734e-09 -3.14360222892783e-09 ] [ 2.402531134307674e-10 1.989861546223797e-09 -7.502840908427424e-10 ] [ -6.174115782382464e-09 8.0142877293192e-10 9.664778626990073e-09 ] [ 2.566456873958853e-09 -1.117436962653326e-09 -2.150211708310337e-09 ] [ 1.88508095761776e-10 2.39550591026079e-09 2.070679019983177e-09 ] [ 5.063786235436669e-09 -1.325296468076448e-09 -5.691359618892339e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.347227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.818026181031052e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0371411 0.096456 0.0224299 ] [ 0.2793666 2.4329447 0.8045544 ] [ 0.1288126 2.1103624 3.2630811 ] [ 2.5175465 -0.1888112 0.0689127 ] [ 2.683506 1.825144 3.3095369 ] [ 2.6961513 2.1630872 0.8484979 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.71411e-12 9.6456e-12 2.24299e-12 ] [ 2.793666e-11 2.4329447e-10 8.045544e-11 ] [ 1.288126e-11 2.1103624e-10 3.2630811e-10 ] [ 2.5175465e-10 -1.888112e-11 6.89127e-12 ] [ 2.683506e-10 1.825144e-10 3.3095369e-10 ] [ 2.6961513e-10 2.1630872e-10 8.484979e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -4.2e-06 2.6e-06 ] [ 9e-06 -3.1e-06 2e-06 ] [ -5e-07 8.7e-06 1e-06 ] [ 2e-07 2.2e-06 -4.4e-06 ] [ -3.8e-06 -6.5e-06 -4.1e-06 ] [ -8.2e-06 3e-06 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 -6.72914180736e-15 4.16565921408e-15 ] [ 1.44195895872e-14 -4.96674752448e-15 3.2043532416e-15 ] [ -8.010883104e-16 1.393893660096e-14 1.6021766208e-15 ] [ 3.2043532416e-16 3.52478856576e-15 -7.04957713152e-15 ] [ -6.08827115904e-15 -1.04141480352e-14 -6.568924145279999e-15 ] [ -1.313784829056e-14 4.8065298624e-15 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.959351 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.39675224345411e-18 } }