{ "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" [ [ -0.22327669999999997 1.7943541999999997 -1.1096376999999995 ] [ 0.38525089999999995 2.2922876999999997 -0.3850010999999998 ] [ 0.20301589999999997 -1.1057940999999998 -0.9543689999999996 ] [ -0.36857049999999997 -1.1827539999999999 -0.3365336999999998 ] [ -6.260582099999999 7.555418899999999 7.068674899999997 ] [ 0.23443109999999998 -1.2455066999999997 1.6641628999999993 ] [ -0.14373269999999996 -0.8567720999999999 0.2258405999999999 ] [ 6.1734640999999995 -7.251233999999999 -6.173136899999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.577287087093753e-10 2.874872348674287e-09 -1.777835580498283e-09 ] [ 6.172399851221586e-10 3.672649761087404e-09 -6.168397614022827e-10 ] [ 3.252673286306707e-10 -1.771677454438577e-09 -1.529067699416275e-09 ] [ -5.905150382165663e-10 -1.894980806957683e-09 -5.391864262513208e-10 ] [ -1.003055827321896e-08 1.210511552193045e-08 1.132526566481577e-08 ] [ 3.756000276084269e-10 -1.995521715789759e-09 2.666282891582727e-09 ] [ -2.302851715844601e-10 -1.37270022797372e-09 3.618365293474443e-10 ] [ 9.890979850368112e-09 -1.161775758675007e-08 -9.890455618177785e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.113448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.465576884047652e-18 } }