{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7030565 2.3664429 -9.7510222 ] [ -21.2907772 -2.4588611 14.5960756 ] [ -52.228102 1.2290821 -5.65317 ] [ 12.6211083 -23.3123202 -16.6127691 ] [ 5.8773184 -7.4024093 5.6676029 ] [ 35.9990868 7.8544632 -2.8317912 ] [ 16.3183091 21.7236024 14.5850741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.330773929001476e-09 3.791459488838152e-09 -1.562285979774178e-08 ] [ -3.411158546850169e-08 -3.939529768214571e-09 2.338549108174934e-08 ] [ -8.367864397315772e-08 1.969206605663768e-09 -9.057376807407937e-09 ] [ 2.022124464684483e-08 -3.735045440104358e-08 -2.661659025876866e-08 ] [ 9.416502133477663e-09 -1.185996711805249e-08 9.080500862358281e-09 ] [ 5.767689524110989e-08 1.258423730797395e-08 -4.537029655627177e-09 ] [ 2.614481333100789e-08 3.480504788483478e-08 2.33678647356556e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.6135158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.99384377525141e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3040102 1.0696828 1.3284276 ] [ 0.9474389 1.7645776 4.0584545 ] [ 1.2006933 3.8574256 1.8584108 ] [ 3.9921793 1.0333275 1.6032881 ] [ 3.7026787 1.1175686 4.2888445 ] [ 4.0193908 3.7348188 1.5375404 ] [ 3.1187609 3.8957199 4.2256711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3040102e-10 1.0696828e-10 1.3284276e-10 ] [ 9.474389e-11 1.7645776e-10 4.0584545e-10 ] [ 1.2006933e-10 3.8574256e-10 1.8584108e-10 ] [ 3.9921793e-10 1.0333275e-10 1.6032881e-10 ] [ 3.7026787e-10 1.1175686e-10 4.2888445e-10 ] [ 4.0193908e-10 3.7348188e-10 1.5375404e-10 ] [ 3.1187609e-10 3.8957199e-10 4.2256711e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 2.7e-06 4.1e-06 ] [ -9.5e-06 5.1e-06 1.8e-06 ] [ -8.7e-06 5.4e-06 5.7e-06 ] [ 7.4e-06 -7.3e-06 -3.7e-06 ] [ 1.15e-05 4e-06 4.9e-06 ] [ 1.36e-05 6.4e-06 3e-07 ] [ -1.07e-05 -1.62e-05 -1.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.928053496960001e-15 4.32587687616e-15 6.568924145279999e-15 ] [ -1.52206778976e-14 8.17110076608e-15 2.88391791744e-15 ] [ -1.393893660096e-14 8.65175375232e-15 9.13240673856e-15 ] [ 1.185610699392e-14 -1.169588933184e-14 -5.928053496960001e-15 ] [ 1.84250311392e-14 6.4087064832e-15 7.850665441919999e-15 ] [ 2.178960204288e-14 1.025393037312e-14 4.8065298624e-16 ] [ -1.714328984256e-14 -2.595526125696e-14 -2.130894905664e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554877298047e-18 } }