{ "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" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.354559 7.787493 7.3266026 ] [ -3.8082939 -3.6462762 2.6546665 ] [ 0.8030907 -0.1397423 0.0624997 ] [ 7.4819702 -6.7686422 -8.3593767 ] [ -5.0882557 -6.2117356 -2.6767848 ] [ 5.1856761 6.3517731 4.8864606 ] [ 3.8568046 3.2445805 -2.6363027 ] [ -0.076433 -0.6174503 -1.2577653 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.33854792171744e-08 1.247693932203856e-08 1.173851149232365e-08 ] [ -6.101559501984731e-09 -5.84197852875031e-09 4.25324463736256e-09 ] [ 1.286693154522704e-09 -2.238918478414182e-10 1.001355589720098e-10 ] [ 1.19874378307243e-08 -1.084456037674635e-08 -1.339319802354403e-08 ] [ -8.152284390357315e-09 -9.952297634905969e-09 -4.288682060806363e-09 ] [ 8.308369078912247e-09 1.017666244528974e-08 7.82897299628162e-09 ] [ 6.179282212023715e-09 5.198391064232037e-09 -4.223822586091111e-09 ] [ -1.22459166666522e-10 -9.8926444331629e-10 -2.015162174716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.29889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.451152408413626e-18 } }