{ "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" [ [ 1.697876 3.711698 1.143091 ] [ 3.423522 2.241155 2.183353 ] [ 3.951754 3.941629 0.5726112 ] [ 3.96365 5.193256 2.218192 ] [ 5.084028 3.36384 3.521791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.697876e-10 3.711698e-10 1.143091e-10 ] [ 3.423522e-10 2.241155e-10 2.183353e-10 ] [ 3.951754000000001e-10 3.941629e-10 5.726112e-11 ] [ 3.96365e-10 5.193256e-10 2.218192e-10 ] [ 5.084028e-10 3.36384e-10 3.521791e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.163764 -0.1172394 -0.7490557 ] [ -0.0513576 -6.5127971 2.0286194 ] [ 2.3582519 -0.7955657 -7.490332 ] [ 2.4531712 7.1408785 4.8644888 ] [ 0.4036984 0.2847237 1.3462795 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.273261956128691e-09 -1.878382257166195e-10 -1.200119530216979e-09 ] [ -8.228394602039808e-11 -1.043465124963404e-08 3.250206575181324e-09 ] [ 3.778336060137179e-09 -1.274636764850387e-09 -1.200083481243011e-08 ] [ 3.930413543459881e-09 1.144094858467337e-08 7.793770227503447e-09 ] [ 6.467961383343668e-10 4.56177655527673e-10 2.156977539962314e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8973079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.265288208463915e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.192886 2.887274 0.7836903 ] [ 3.0347305 1.9809244 2.7839564 ] [ 3.3290966 4.9033444 0.3644982 ] [ 4.8730133 5.243102 2.1057988 ] [ 4.6911037 3.4369331 3.6010946 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.192886e-10 2.887274e-10 7.836902999999999e-11 ] [ 3.0347305e-10 1.9809244e-10 2.7839564e-10 ] [ 3.3290966e-10 4.9033444e-10 3.644982e-11 ] [ 4.8730133e-10 5.243102000000001e-10 2.1057988e-10 ] [ 4.6911037e-10 3.4369331e-10 3.6010946e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 -6e-06 -6.9e-06 ] [ 1.34e-05 9.2e-06 1.51e-05 ] [ 3.6e-06 1.02e-05 3.3e-06 ] [ -2.2e-06 -1.36e-05 5.6e-06 ] [ -1.19e-05 2e-07 -1.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 -9.6130597248e-15 -1.105501868352e-14 ] [ 2.146916671872e-14 1.474002491136e-14 2.419286697408e-14 ] [ 5.76783583488e-15 1.634220153216e-14 5.28718284864e-15 ] [ -3.52478856576e-15 -2.178960204288e-14 8.972189076479999e-15 ] [ -1.906590178752e-14 3.2043532416e-16 -2.755743787776e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }