{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44335e-10 0.0 0.0 ] "source-value" [ 5.44335 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] "source-value" [ 0.0871492 5.32556 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] "source-value" [ 0.0678412 -0.0738369 5.55618 ] } "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" [ [ -7.605144692195366e-10 3.028520125303035e-09 -2.059571930559481e-09 ] [ 7.84137121534274e-10 3.68289183535353e-09 -4.278657526791782e-10 ] [ 3.657991927836691e-10 -1.410805595634517e-09 -1.731014852673322e-09 ] [ -4.891038270440717e-10 -1.78812620071602e-09 -4.719307367163648e-10 ] [ -7.007693671169695e-09 9.704205149492381e-09 8.604436509960253e-09 ] [ 3.028198728672902e-10 -2.251581743543677e-09 2.512588972267302e-09 ] [ -3.298317696056678e-10 -1.571813451223895e-09 8.136412040063058e-10 ] [ 7.134387870289063e-09 -9.393290119030837e-09 -7.240283413605514e-09 ] ] "source-value" [ [ -0.4746757999999999 1.8902535999999999 -1.2854836999999992 ] [ 0.48941989999999996 2.2986802999999996 -0.26705279999999987 ] [ 0.22831389999999996 -0.8805555999999999 -1.0804144999999996 ] [ -0.30527459999999995 -1.1160605999999997 -0.2945559999999999 ] [ -4.373858399999999 6.0568884999999995 5.370466899999998 ] [ 0.18900529999999996 -1.4053267999999999 1.5682346999999994 ] [ -0.20586479999999996 -0.9810487999999999 0.5078348999999998 ] [ 4.452934699999999 -5.862830599999999 -4.5190294999999985 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.168366551965106e-18 "source-value" -32.258407 } }