{ "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" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.9701354 -3.3444601 -3.3742968 ] [ 9.7281364 -1.0454552 -7.4806658 ] [ 1.4032058 -2.9695182 11.6267053 ] [ -10.3944176 3.4051712 -0.5516033 ] [ 7.2332108 3.9542624 -0.2201393 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.276956460249046e-08 -5.35841578141843e-09 -5.406219444600254e-09 ] [ 1.558619270403348e-08 -1.675003879533788e-09 -1.198534785277813e-08 ] [ 2.248183526930961e-09 -4.757692635080099e-09 1.862803540859145e-08 ] [ -1.665369286555205e-08 5.45568568646148e-09 -8.837659112161286e-10 ] [ 1.158888123707807e-08 6.335426769788498e-09 -3.527020397792774e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4112835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.18741851538208e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2660053 2.7128582 2.866205 ] [ 3.5548425 3.0673829 1.9711272 ] [ 1.5396152 2.0557763 5.155754 ] [ 0.6523555 5.1185632 2.906676 ] [ 3.015058 5.5948005 1.9738979 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2660053e-10 2.7128582e-10 2.866205e-10 ] [ 3.5548425e-10 3.0673829e-10 1.9711272e-10 ] [ 1.5396152e-10 2.0557763e-10 5.155754e-10 ] [ 6.523555e-11 5.1185632e-10 2.906676e-10 ] [ 3.015058e-10 5.5948005e-10 1.9738979e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.56e-05 2.54e-05 -2.6e-06 ] [ -1.44e-05 -2.37e-05 3.9e-06 ] [ 2.4e-06 -1.3e-05 8.5e-06 ] [ -9e-07 -9e-06 -1.13e-05 ] [ -2.7e-06 2.02e-05 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.499395528448e-14 4.069528616832e-14 -4.16565921408e-15 ] [ -2.307134333952e-14 -3.797158591296e-14 6.24848882112e-15 ] [ 3.84522388992e-15 -2.08282960704e-14 1.36185012768e-14 ] [ -1.44195895872e-15 -1.44195895872e-14 -1.810459581504e-14 ] [ -4.32587687616e-15 3.236396774016e-14 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.90107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227196935810426e-18 } }