{ "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" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.9091356 -7.1204038 1.1224258 ] [ -7.5669985 4.4817021 3.8923014 ] [ 2.2036428 -4.9717302 -2.7448912 ] [ 5.3967654 -2.9821142 12.3868775 ] [ 8.8757259 10.5925461 -14.6567135 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.427400876985698e-08 -1.140814449901548e-08 1.798324375342737e-09 ] [ -1.212366808632867e-08 7.180478326010263e-09 6.23615430418711e-09 ] [ 3.53062497475425e-09 -7.965589891365308e-09 -4.397800507279657e-09 ] [ 8.64657135182236e-09 -4.777873651795695e-09 1.984596553521355e-08 ] [ 1.422048052960904e-08 1.697112971616622e-08 -2.348264370746374e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.4702843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.957831752189293e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6728293 1.0016241 2.5063667 ] [ 1.6332625 4.6120961 3.0242512 ] [ 3.334663 0.62205 1.7466823 ] [ 3.9520682 2.4386485 4.8229302 ] [ 3.031143 4.2864474 1.8314515 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6728293e-10 1.0016241e-10 2.5063667e-10 ] [ 1.6332625e-10 4.6120961e-10 3.0242512e-10 ] [ 3.334663e-10 6.2205e-11 1.7466823e-10 ] [ 3.9520682e-10 2.4386485e-10 4.8229302e-10 ] [ 3.031143e-10 4.286447400000001e-10 1.8314515e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -21.568291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.455621159081105e-18 } }