{ "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" [ [ 0.6782998999999998 0.7264698999999999 0.23530609999999988 ] [ 0.03225429999999999 -0.19666189999999997 0.06693429999999997 ] [ -0.5323333999999998 0.29059339999999995 0.04454479999999998 ] [ -0.49846359999999995 -0.9245860999999999 -0.6476621999999996 ] [ -5.270387199999999 7.008427899999999 6.5532486999999975 ] [ -0.9063127999999999 -0.37623049999999997 -0.02210139999999999 ] [ 1.1517773999999998 0.13072439999999996 -0.5483447999999997 ] [ 5.345165299999999 -6.658737099999999 -5.681925399999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.086756250624536e-09 1.163933099084316e-09 3.770019352576672e-10 ] [ 5.167708580602619e-11 -3.150871009780445e-10 1.072405714731461e-10 ] [ -8.528921349777752e-10 4.655819554746154e-10 7.136863772620315e-11 ] [ -7.986267328195222e-10 -1.481350245541187e-09 -1.037669243565034e-09 ] [ -8.444091223972682e-09 1.122873942245369e-08 1.049946194393087e-08 ] [ -1.452073191255115e-09 -6.02787716098137e-10 -3.541034665868758e-11 ] [ 1.845350837849271e-09 2.094435791736695e-10 -8.785452259354027e-10 ] [ 8.563898948527597e-09 -1.066847299356892e-08 -9.103448112011097e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.918218 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.633209317651821e-18 } }