{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5572524999999999 1.2702912999999998 -1.1358997999999996 ] [ -0.13609729999999998 1.3056405999999998 0.12276549999999994 ] [ 0.8283425999999999 -0.5261262999999999 -0.4415026999999998 ] [ -0.08233329999999998 -0.07850549999999999 0.35888319999999985 ] [ -1.6702768999999997 1.8166924999999998 2.646540099999999 ] [ -0.06701199999999999 -0.14128149999999998 0.34215189999999984 ] [ -0.24275739999999998 -1.4990780999999997 0.5126896999999998 ] [ 1.9273866999999998 -2.1476330999999997 -2.405627899999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.928169273823519e-10 2.035231022465639e-09 -1.819912103131395e-09 ] [ -2.180519122140038e-10 2.091866844487284e-09 1.966920139408223e-10 ] [ 1.327151147732686e-09 -8.429472574480069e-10 -7.073653039600759e-10 ] [ -1.319124883733126e-10 -1.257796767042144e-10 5.749942726378903e-10 ] [ -2.676078599442299e-09 2.910662250682704e-09 4.240224674229693e-09 ] [ -1.073650597130496e-10 -2.263579162515552e-10 5.481877749422993e-10 ] [ -3.889402308061939e-10 -2.401787884573284e-09 8.214194510649655e-10 ] [ 3.088013909980863e-09 -3.440887542876228e-09 -3.854240779724198e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 650.53066 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.042265014565594e-16 } }