{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6150764 -3.0073411 -4.7288993 ] [ -0.713514 -1.3654895 4.2294363 ] [ -0.2876741 2.8857333 -1.736902 ] [ 0.0 0.0 0.0 ] [ 2.6162646 1.4870973 2.2363649 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.587637670204837e-09 -4.818291640887857e-09 -7.576531962998956e-09 ] [ -1.143175458831876e-09 -2.187755370872343e-09 6.776304014851413e-09 ] [ -4.609047212269793e-10 4.623454465215712e-09 -2.782823799947867e-09 ] [ 0.0 0.0 0.0 ] [ 4.191718010481356e-09 2.382592546544488e-09 3.583051587877746e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3517662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.017665139027097e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4952579 2.0544021 2.5390441 ] [ 1.4325699 0.7909474 4.4541324 ] [ 2.7505524 3.9420124 2.1798546 ] [ 4.413531 1.079857 2.965455 ] [ 4.2376369 4.900812 3.6417379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4952579e-10 2.0544021e-10 2.5390441e-10 ] [ 1.4325699e-10 7.909474e-11 4.4541324e-10 ] [ 2.7505524e-10 3.9420124e-10 2.1798546e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 4.2376369e-10 4.900812e-10 3.6417379e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.03e-05 3.6e-06 -2.66e-05 ] [ 6e-07 -8e-06 1.43e-05 ] [ 1.13e-05 -2.3e-06 2.53e-05 ] [ 0.0 0.0 0.0 ] [ -1.6e-06 6.7e-06 -1.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.65024193302e-14 5.767835882399999e-15 -4.26178984644e-14 ] [ 9.613059803999998e-16 -1.2817413072e-14 2.29111258662e-14 ] [ 1.81045959642e-14 -3.685006258199999e-15 4.053506884019999e-14 ] [ 0.0 0.0 0.0 ] [ -2.5634826144e-15 1.07345834478e-14 -2.06680785786e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.9978218 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.281392321085582e-18 } }