{ "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" [ [ 2.147227 2.362862 2.450911 ] [ 2.622761 1.752099 4.557796 ] [ 1.686581 4.667086 2.204349 ] [ 1.229897 3.438837 4.460251 ] [ 4.850673 1.640741 2.950795 ] [ 3.668046 3.670667 2.833872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.147227e-10 2.362862e-10 2.450911e-10 ] [ 2.622761e-10 1.752099e-10 4.557796e-10 ] [ 1.686581e-10 4.667086e-10 2.204349e-10 ] [ 1.229897e-10 3.438837e-10 4.460251000000001e-10 ] [ 4.850672999999999e-10 1.640741e-10 2.950795e-10 ] [ 3.668046e-10 3.670667e-10 2.833872e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.6604586 -10.3283634 -10.9299233 ] [ 1.6039353 -8.4598247 8.8205834 ] [ -4.5729038 7.2355486 -3.2232448 ] [ -9.168082 4.6984468 8.0765343 ] [ 4.4937742 -2.8495824 0.0801207 ] [ 15.3037349 9.703775 -2.8240704 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.22734076735263e-08 -1.65478623706064e-08 -1.751166757839718e-08 ] [ 2.569787638935835e-09 -1.355413335040637e-08 1.413213250529657e-08 ] [ -7.326599557527479e-09 1.159262680558217e-08 -5.164207461675171e-09 ] [ -1.46888866379773e-08 7.527741617032574e-09 1.29400344325493e-08 ] [ 7.199819962394222e-09 -4.565534300323154e-09 1.283675123821306e-10 ] [ 2.451928626770103e-08 1.554716143850352e-08 -4.524659570373305e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6860194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.507830727295244e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0012638 1.8413248 1.9715736 ] [ 2.3606863 1.5377817 4.5621301 ] [ 1.872241 4.1989333 2.4780309 ] [ 1.3383717 3.686358 4.7429843 ] [ 4.3839405 1.9658334 3.0850668 ] [ 4.2486817 4.3020607 2.6181884 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0012638e-10 1.8413248e-10 1.9715736e-10 ] [ 2.3606863e-10 1.5377817e-10 4.5621301e-10 ] [ 1.872241e-10 4.1989333e-10 2.4780309e-10 ] [ 1.3383717e-10 3.686358e-10 4.7429843e-10 ] [ 4.3839405e-10 1.9658334e-10 3.0850668e-10 ] [ 4.2486817e-10 4.3020607e-10 2.6181884e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.35e-05 1.78e-05 -2.05e-05 ] [ 2.15e-05 2.1e-05 2.06e-05 ] [ 2.93e-05 -4.22e-05 8.9e-06 ] [ -1.76e-05 -1.7e-06 -9.5e-06 ] [ -9.5e-06 2.23e-05 -1.86e-05 ] [ -2e-07 -1.72e-05 1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.76511505888e-14 2.851874385024e-14 -3.28446207264e-14 ] [ 3.44467973472e-14 3.36457090368e-14 3.300483838848e-14 ] [ 4.694377498944e-14 -6.761185339776e-14 1.425937192512e-14 ] [ -2.819830852608e-14 -2.72370025536e-15 -1.52206778976e-14 ] [ -1.52206778976e-14 3.572853864384e-14 -2.980048514688e-14 ] [ -3.2043532416e-16 -2.755743787776e-14 3.060157345728e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.124626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.423232217554382e-18 } }