{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.51526e-10 0.0 0.0 ] "source-value" [ 5.51526 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] "source-value" [ -0.0933018 5.35906 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] "source-value" [ 0.235006 -0.443739 5.60819 ] } "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" [ [ -1.365809042022932e-08 1.381742480233827e-08 1.534306160073877e-08 ] [ -8.957612473583961e-09 -8.056993266493638e-09 7.013004726449985e-09 ] [ 2.096367038179788e-09 3.878227126131859e-10 -4.818060727539898e-09 ] [ 1.384549669912897e-08 -1.304982422636026e-08 -1.220118892147309e-08 ] [ -1.025390842330029e-08 -7.584867705100184e-09 -7.429234350985279e-09 ] [ 9.045090996644317e-09 1.000232679963684e-08 1.252992864749402e-08 ] [ 3.768733574778077e-09 6.297357611319331e-09 -8.861596431964349e-09 ] [ 4.113922687947099e-09 -1.813246727953544e-09 -1.575914702937819e-09 ] ] "source-value" [ [ -8.5247096 8.6241583 9.5763859 ] [ -5.590902 -5.0287797 4.3771733 ] [ 1.3084494 0.24205990000000002 -3.007197 ] [ 8.6416794 -8.1450597 -7.6153832 ] [ -6.3999863 -4.7341021 -4.6369634 ] [ 5.6455018 6.2429614 7.8205664 ] [ 2.3522585 3.9305015 -5.5309735 ] [ 2.5677086 -1.1317396 -0.9836086 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.429756721069824e-18 "source-value" -27.648367 } }