{ "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" [ [ 0.0417064 1.393533 2.342657 ] [ 0.9221083 2.569653 0.2410471 ] [ 1.810038 0.5140043 0.5075901 ] [ 2.608454 2.928842 0.8878785 ] [ 2.606177 1.867368 2.693771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.17064e-12 1.393533e-10 2.342657e-10 ] [ 9.221083e-11 2.569653e-10 2.410471e-11 ] [ 1.810038e-10 5.140043e-11 5.075901e-11 ] [ 2.608454e-10 2.928842e-10 8.878785000000001e-11 ] [ 2.606177e-10 1.867368e-10 2.693771e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.9999255 -3.1284757 8.1297098 ] [ -12.5032777 7.4471261 -11.666274 ] [ 2.7824392 -15.0680649 -6.991276 ] [ 13.5343866 12.3764504 -3.7616226 ] [ 8.1863773 -1.6270358 14.2894628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.922600008744175e-08 -5.012370625280915e-09 1.302523097544864e-08 ] [ -2.003245921431e-08 1.193161132956948e-08 -1.86914314546469e-08 ] [ 4.457959035037455e-09 -2.414170130347709e-08 -1.120125895676014e-08 ] [ 2.16844777873888e-08 1.982925947937081e-08 -6.02678378599291e-09 ] [ 1.311602231910783e-08 -2.606798719964625e-09 2.289424322195131e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 82.953037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.329054165057574e-17 } "relaxed-configuration-positions" { "source-value" [ [ -4.2539683 0.2281351 5.1436528 ] [ -2.752582 4.8646624 -3.5883832 ] [ 2.8421337 -3.4018104 -1.4970542 ] [ 6.7028621 6.5590692 -0.8092539 ] [ 5.450038 1.023344 7.4239822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.2539683e-10 2.281351e-11 5.1436528e-10 ] [ -2.752582e-10 4.864662400000001e-10 -3.5883832e-10 ] [ 2.8421337e-10 -3.4018104e-10 -1.4970542e-10 ] [ 6.7028621e-10 6.5590692e-10 -8.092539e-11 ] [ 5.450038000000001e-10 1.023344e-10 7.423982200000001e-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" -8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.423018699623083e-34 } }