{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5982027 -1.0685185 0.3579753 ] [ 1.6157079 -1.3045585 -1.3752401 ] [ 0.9670406 -5.0600882 2.2199047 ] [ 0.8995051 3.4825155 1.3971134 ] [ -1.9984354 0.6464901 -3.7326575 ] [ 1.5986924 0.4315923 1.4187253 ] [ -0.4843079 2.8725672 -0.285821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.162779656335711e-09 -1.711955373696729e-09 5.7353966120914e-10 ] [ 2.588649444749209e-09 -2.090133146386089e-09 -2.203377554359823e-09 ] [ 1.54936985344934e-09 -8.107155080019117e-09 3.556679440046779e-09 ] [ 1.441166053383833e-09 5.579604961642826e-09 2.238422444528295e-09 ] [ -3.201846502438443e-09 1.035791332332323e-09 -5.980376629224855e-09 ] [ 2.561387608233382e-09 6.914870984743181e-10 2.27304852572464e-09 ] [ -7.759468010416086e-10 4.602360047434804e-09 -4.579357277065139e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.292008005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.770485118177849e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2856399 2.178231 2.7842888 ] [ 5.4667372 2.1256868 1.5362838 ] [ 4.39004 1.4887966 3.4980038 ] [ 5.3586236 4.3285225 2.447303 ] [ 3.4862902 3.3882143 1.1143923 ] [ 4.8623744 3.472287 4.6186595 ] [ 3.0472037 4.3667169 3.3540518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2856399e-10 2.178231e-10 2.7842888e-10 ] [ 5.4667372e-10 2.1256868e-10 1.5362838e-10 ] [ 4.39004e-10 1.4887966e-10 3.4980038e-10 ] [ 5.3586236e-10 4.3285225e-10 2.447303e-10 ] [ 3.4862902e-10 3.3882143e-10 1.1143923e-10 ] [ 4.8623744e-10 3.472287000000001e-10 4.6186595e-10 ] [ 3.0472037e-10 4.3667169e-10 3.3540518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-05 -1.9e-06 -7.5e-06 ] [ 6.6e-06 -2.22e-05 -2.3e-06 ] [ -2.01e-05 1e-05 2.09e-05 ] [ -3.6e-06 8.7e-06 1.19e-05 ] [ 2.8e-06 2.02e-05 -7.5e-06 ] [ 8.8e-06 8.9e-06 -3.65e-05 ] [ -6.5e-06 -2.37e-05 2.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.9226119608e-14 -3.0441356046e-15 -1.2016324755e-14 ] [ 1.05743657844e-14 -3.55683212748e-14 -3.685006258199999e-15 ] [ -3.22037503434e-14 1.602176634e-14 3.34854916506e-14 ] [ -5.767835882399999e-15 1.39389367158e-14 1.90659019446e-14 ] [ 4.486094575199999e-15 3.236396800679999e-14 -1.2016324755e-14 ] [ 1.40991543792e-14 1.42593720426e-14 -5.847944714099999e-14 ] [ -1.0414148121e-14 -3.79715862258e-14 3.364570931399999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.557919005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.293741747470206e-18 } }