{ "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" [ [ 1.803671 2.545248 2.102248 ] [ 1.259758 2.236074 4.250707 ] [ 2.077592 4.735817 2.343172 ] [ 2.945146 3.702359 3.858992 ] [ 3.151976 1.102961 3.497539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.803671e-10 2.545248e-10 2.102248e-10 ] [ 1.259758e-10 2.236074e-10 4.250707e-10 ] [ 2.077592e-10 4.735817000000001e-10 2.343172e-10 ] [ 2.945146e-10 3.702359e-10 3.858992e-10 ] [ 3.151976e-10 1.102961e-10 3.497539e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.9613883 -3.7725335 -21.8546536 ] [ -15.4732509 -2.3203468 13.5783801 ] [ -0.6833791 6.0753196 -2.8848636 ] [ 12.469084 9.8436211 10.2624403 ] [ 11.6489343 -9.8260604 0.8986968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.275555030846098e-08 -6.044265024682238e-09 -3.501501534208398e-08 ] [ -2.479088104399947e-08 -3.71760542573667e-09 2.175496332379058e-08 ] [ -1.094894026183949e-09 9.733735107202225e-09 -4.622061052197123e-09 ] [ 1.997767503218326e-08 1.577121972036938e-08 1.644224205647995e-08 ] [ 1.866365034646115e-08 -1.574308437715269e-08 1.439871014010571e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6482332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.545817379242305e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5872161 2.5569254 2.0778538 ] [ 1.0847638 1.9869252 4.4901576 ] [ 2.3188271 4.8534597 2.0466905 ] [ 2.9255963 3.6656356 4.0544617 ] [ 3.3217397 1.2595131 3.3834944 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5872161e-10 2.5569254e-10 2.0778538e-10 ] [ 1.0847638e-10 1.9869252e-10 4.4901576e-10 ] [ 2.3188271e-10 4.8534597e-10 2.0466905e-10 ] [ 2.9255963e-10 3.6656356e-10 4.0544617e-10 ] [ 3.3217397e-10 1.2595131e-10 3.3834944e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.56e-05 2.91e-05 0.0001466 ] [ 0.0002513 5.94e-05 -0.00021 ] [ -6.41e-05 2.63e-05 -4.83e-05 ] [ -6.8e-05 -0.0001451 1.3e-05 ] [ -0.0001647 3.03e-05 9.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.30592545104e-14 4.66233400494e-14 2.348790945444e-13 ] [ 4.026269881241999e-13 9.51692920596e-14 -3.3645709314e-13 ] [ -1.026995222394e-13 4.21372454742e-14 -7.73851314222e-14 ] [ -1.08948011112e-13 -2.324758295934e-13 2.082829624199999e-14 ] [ -2.638784916198e-13 4.854595201019999e-14 1.581348337758e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.808942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.693089411466122e-18 } }