{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9664979 5.1751349 -9.5844427 ] [ -2.3699797 -3.5569232 8.9915353 ] [ 7.5094457 0.391483 -0.3626487 ] [ 1.546333 -1.6989117 -5.4670566 ] [ -2.7193011 -0.310783 6.4226127 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.355030201832296e-09 8.291480146266146e-09 -1.535597001733723e-08 ] [ -3.797126067110598e-09 -5.698819193021122e-09 1.440602764275792e-08 ] [ 1.203145833570709e-08 6.272249100406465e-10 -5.81027268703513e-10 ] [ 2.477498580571526e-09 -2.721956606543583e-09 -8.759190269110338e-09 ] [ -4.356800647335723e-09 -4.979292567420864e-10 1.029015991239317e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.344734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657409096319487e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9310456 1.1801734 0.8061516 ] [ 1.1765643 0.3972404 3.1617122 ] [ 3.2650416 0.6250245 1.8169754 ] [ 2.920676 2.6145027 0.3522844 ] [ 1.9497816 2.7124142 2.647867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.310456e-11 1.1801734e-10 8.061516e-11 ] [ 1.1765643e-10 3.972404e-11 3.1617122e-10 ] [ 3.2650416e-10 6.250245e-11 1.8169754e-10 ] [ 2.920676e-10 2.6145027e-10 3.522844e-11 ] [ 1.9497816e-10 2.7124142e-10 2.647867e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.4e-06 1.2e-06 1.51e-05 ] [ 1.74e-05 9.7e-06 -1.65e-05 ] [ -2.19e-05 3.4e-06 4.9e-06 ] [ 6.3e-06 -2.3e-06 -4.9e-06 ] [ -9.2e-06 -1.21e-05 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.185610699392e-14 1.92261194496e-15 2.419286697408e-14 ] [ 2.787787320192e-14 1.554111322176e-14 -2.64359142432e-14 ] [ -3.508766799552e-14 5.44740051072e-15 7.850665441919999e-15 ] [ 1.009371271104e-14 -3.68500622784e-15 -7.850665441919999e-15 ] [ -1.474002491136e-14 -1.938633711168e-14 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }