{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.9109149 5.6173639 1.3633283 ] [ 2.4475442 3.6181931 -4.7747379 ] [ 5.2044924 -4.6492657 -1.4460204 ] [ -8.312223 4.3650437 -1.3225152 ] [ -3.1977076 1.8311455 4.2855559 ] [ -2.7383049 -6.2731538 6.7616946 ] [ 1.685284 -4.5093266 -4.8673053 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.86815303951837e-09 9.00000911110591e-09 2.184292728735009e-09 ] [ 3.921398095614639e-09 5.796984394359877e-09 -7.649973433827689e-09 ] [ 8.338516046411283e-09 -7.448944808427347e-09 -2.316780078079864e-09 ] [ -1.331764935747604e-08 6.993570964910329e-09 -2.118902934092636e-09 ] [ -5.123292356874478e-09 2.933818509383127e-09 6.866217470111503e-09 ] [ -4.387248091402082e-09 -1.005070035704268e-08 1.083342900510961e-08 ] [ 2.700122624208307e-09 -7.224737654071553e-09 -7.79828275795593e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.190728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.798393829133195e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0556476 2.0652986 2.0580649 ] [ 2.7789911 1.9615769 4.139491 ] [ 1.6617432 3.7349013 3.4514492 ] [ 4.2159864 2.2239115 2.4753248 ] [ 4.9438582 2.1207666 4.5607584 ] [ 3.0959583 3.9967284 1.7905053 ] [ 3.8213153 3.8967587 3.8714134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0556476e-10 2.0652986e-10 2.0580649e-10 ] [ 2.7789911e-10 1.9615769e-10 4.139491e-10 ] [ 1.6617432e-10 3.7349013e-10 3.4514492e-10 ] [ 4.215986400000001e-10 2.2239115e-10 2.4753248e-10 ] [ 4.943858200000001e-10 2.1207666e-10 4.5607584e-10 ] [ 3.0959583e-10 3.9967284e-10 1.7905053e-10 ] [ 3.8213153e-10 3.8967587e-10 3.8714134e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001846 2.7e-06 7.56e-05 ] [ -0.0002404 2.88e-05 3.56e-05 ] [ 0.0001732 -7.58e-05 1.7e-05 ] [ -5.74e-05 0.00012 -2.43e-05 ] [ 3.4e-05 -9.2e-05 -7.99e-05 ] [ 6.7e-06 -8.62e-05 0.0001043 ] [ -0.0001007 0.0001025 -0.0001282 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.9576180419968e-13 4.32587687616e-15 1.2112455253248e-13 ] [ -3.8516325964032e-13 4.614268667904e-14 5.703748770048e-14 ] [ 2.7749699072256e-13 -1.2144498785664e-13 2.72370025536e-14 ] [ -9.196493803392e-14 1.92261194496e-13 -3.893289188544e-14 ] [ 5.44740051072e-14 -1.474002491136e-13 -1.2801391200192e-13 ] [ 1.073458335936e-14 -1.3810762471296e-13 1.6710702154944e-13 ] [ -1.6133918571456e-13 1.64223103632e-13 -2.0539904278656e-13 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }