{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.33088e-10 0.0 0.0 ] "source-value" [ 5.33088 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] "source-value" [ 0.0480326 5.46857 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] "source-value" [ -0.109209 0.182969 5.33745 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.626083098137057e-09 -2.605263354108912e-09 4.742432864072951e-09 ] [ -1.145428750612984e-09 -2.322455948976711e-10 9.355492209063573e-10 ] [ 3.025501944984772e-09 -5.002343082464314e-09 2.562535706897107e-09 ] [ 7.71700225515314e-10 1.098349912134411e-09 1.919252661239168e-09 ] [ 9.444036500012084e-10 3.459557546820749e-10 -1.519928563535908e-09 ] [ -2.445083022744177e-09 2.316197206225217e-09 -7.424880916671241e-09 ] [ -1.804361857502897e-09 -4.823743648013876e-10 1.400279295235861e-09 ] [ -4.972815287778295e-09 4.56172352323058e-09 -2.615240428361958e-09 ] ] "source-value" [ [ 3.5115249 -1.6260775 2.9599938 ] [ -0.7149204 -0.1449563 0.5839239 ] [ 1.8883698 -3.122217 1.599409 ] [ 0.4816574 0.6855361 1.1979033 ] [ 0.5894504 0.2159286 -0.9486648 ] [ -1.5261008 1.4456566 -4.6342462 ] [ -1.1261941 -0.3010744 0.8739856 ] [ -3.1037872 2.8472039 -1.6323047 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.205091504418144e-18 "source-value" -26.246117 } }