{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0294959 -0.2783644 0.5562827 ] [ -1.6233178 -0.4575564 -0.6396066 ] [ 0.6526341 -0.8103181 -0.4568637 ] [ 0.8545082 -0.8861101 0.5291324 ] [ -0.6374336 0.3116387 -0.2157299 ] [ 0.445215 0.4297466 0.7405616 ] [ 0.2788981 1.6909637 -0.5137767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.725764177880059e-11 -4.459889374174296e-10 8.912631438384318e-10 ] [ -2.600841848716285e-09 -7.330861728171575e-10 -1.024762749472184e-09 ] [ 1.045635105571619e-09 -1.298272725927275e-09 -7.319763450627857e-10 ] [ 1.369073071601399e-09 -1.419704897371403e-09 8.477635675723415e-10 ] [ -1.021281219646502e-09 4.993002433901357e-10 -3.456374050351566e-10 ] [ 7.1331307010631e-10 6.885299610609443e-10 1.186510491557654e-09 ] [ 4.468440190869953e-10 2.709222529082185e-09 -8.231610238336277e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.769789005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.847034073614765e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1204219 2.0618373 1.3280295 ] [ 2.4362725 1.4011156 3.6197626 ] [ 1.851486 4.1899736 2.2121503 ] [ 2.1213639 3.5575372 4.4548841 ] [ 4.320437 2.1411122 2.3179577 ] [ 4.1104319 4.4827621 1.7712609 ] [ 4.4085116 3.8004149 4.0590308 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1204219e-10 2.0618373e-10 1.3280295e-10 ] [ 2.4362725e-10 1.4011156e-10 3.6197626e-10 ] [ 1.851486e-10 4.1899736e-10 2.2121503e-10 ] [ 2.1213639e-10 3.5575372e-10 4.4548841e-10 ] [ 4.320437e-10 2.1411122e-10 2.3179577e-10 ] [ 4.1104319e-10 4.482762100000001e-10 1.7712609e-10 ] [ 4.4085116e-10 3.8004149e-10 4.0590308e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.23e-05 3.02e-05 2.3e-05 ] [ -1.4e-06 3.82e-05 -2.18e-05 ] [ 1.55e-05 -2.58e-05 1.58e-05 ] [ -1.23e-05 -1.2e-05 2.17e-05 ] [ -3.5e-06 4.4e-06 4e-06 ] [ -7.5e-06 -2.85e-05 -7.9e-06 ] [ -2.31e-05 -6.6e-06 -3.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.17503052782e-14 4.838573434679999e-14 3.6850062582e-14 ] [ -2.2430472876e-15 6.12031474188e-14 -3.492745062119999e-14 ] [ 2.4833737827e-14 -4.133615715719999e-14 2.53143908172e-14 ] [ -1.97067725982e-14 -1.9226119608e-14 3.476723295779999e-14 ] [ -5.607618218999999e-15 7.0495771896e-15 6.408706535999999e-15 ] [ -1.2016324755e-14 -4.5662034069e-14 -1.26571954086e-14 ] [ -3.70102802454e-14 -1.05743657844e-14 -5.59159645266e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }