{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0592173 -0.2635267 2.6682473 ] [ -0.2613699 1.5126457 -2.2074597 ] [ -0.6877994 -0.0876103 -0.665689 ] [ 1.117769 -0.027768 0.8354853 ] [ 1.5716439 -1.2579186 0.2174458 ] [ -0.5315676 1.5373167 -0.7678195 ] [ -1.9382053 -2.5555002 -1.1748654 ] [ 0.7887466 1.1423614 1.0946551 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.487657360689984e-11 -4.222163176965754e-10 4.275003442572723e-09 ] [ -4.187607431608339e-10 2.42352557609365e-09 -3.536740322698181e-09 ] [ -1.101976118480267e-09 -1.403671744012742e-10 -1.066551352523731e-09 ] [ 1.790863359254995e-09 -4.44892404063744e-11 1.338595014682074e-09 ] [ 2.518051112802933e-09 -2.015407771789467e-09 3.483865770511526e-10 ] [ -8.516651810947661e-10 2.463052875505408e-09 -1.230182451894345e-09 ] [ -3.10534721797065e-09 -4.094362674889724e-09 -1.88234187646684e-09 ] [ 1.263711362255489e-09 1.830264727584357e-09 1.753830809059486e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.361486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.825752276674651e-18 } }