{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.034718 3.53714 2.04977 ] [ 2.090115 3.249613 4.258758 ] [ 4.260617 1.92046 3.281861 ] [ 5.152468 4.155846 3.194292 ] [ 3.505339 5.178097 3.977293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.034718e-10 3.53714e-10 2.04977e-10 ] [ 2.090115e-10 3.249613e-10 4.258758e-10 ] [ 4.260617e-10 1.92046e-10 3.281861e-10 ] [ 5.152468e-10 4.155846e-10 3.194292e-10 ] [ 3.505339e-10 5.178097e-10 3.977293e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0472981 0.1356369 -3.8867 ] [ -0.6256569 -1.2876156 1.1036531 ] [ 0.00576 -1.9536299 1.2085409 ] [ 5.6377881 -0.9099458 -1.1100019 ] [ -2.970593 4.0155543 2.6845079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.280133178652595e-09 2.173142718881946e-10 -6.2271799233678e-09 ] [ -1.002412866080875e-09 -2.06298762789389e-09 1.768247208861665e-09 ] [ 9.228537411839999e-12 -3.130060177263756e-09 1.936295991213331e-09 ] [ 9.032732361263254e-09 -1.457893898966437e-09 -1.778419107875604e-09 ] [ -4.759414693723961e-09 6.433627272018225e-09 4.301055831168408e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8616298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.419789620471809e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0596437 3.2101082 1.6036372 ] [ 2.2546392 3.4133996 4.0358244 ] [ 4.2106089 1.8373405 3.4925846 ] [ 4.9517982 4.2481313 2.9990384 ] [ 3.5665669 5.3321764 4.6308894 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0596437e-10 3.2101082e-10 1.6036372e-10 ] [ 2.2546392e-10 3.4133996e-10 4.0358244e-10 ] [ 4.210608900000001e-10 1.8373405e-10 3.4925846e-10 ] [ 4.9517982e-10 4.2481313e-10 2.9990384e-10 ] [ 3.5665669e-10 5.3321764e-10 4.6308894e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-06 -1.4e-06 2.97e-05 ] [ 9.2e-06 -9e-06 -1.61e-05 ] [ -1.9e-05 7.6e-06 -1.5e-06 ] [ 6.6e-06 8.3e-06 -1.29e-05 ] [ -2.8e-06 -5.6e-06 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.613059803999999e-15 -2.2430472876e-15 4.75846460298e-14 ] [ 1.47400250328e-14 -1.4419589706e-14 -2.579504380739999e-14 ] [ -3.0441356046e-14 1.21765424184e-14 -2.403264951e-15 ] [ 1.05743657844e-14 1.32980660622e-14 -2.06680785786e-14 ] [ -4.486094575199999e-15 -8.972189150399999e-15 1.4419589706e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }