{ "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" [ [ 0.6107000999999999 -1.2693197999999999 1.1190664999999995 ] [ 0.060356499999999993 -1.6812659999999997 -0.31019049999999987 ] [ -0.5576270999999999 0.6475007999999999 0.8752561999999996 ] [ -0.08196669999999999 0.7788453999999999 0.4474191999999998 ] [ 4.878279499999999 -5.019266799999999 -5.679336099999998 ] [ -0.06813729999999998 0.9307006999999999 -1.6065803999999992 ] [ -0.017313799999999997 0.6329076999999999 0.19076479999999993 ] [ -4.824291199999999 4.979897899999999 4.963600199999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.78449430601463e-10 -2.033674524633553e-09 1.79294219819216e-09 ] [ 9.670177401002099e-11 -2.693685100738643e-09 -4.969799711887768e-10 ] [ -8.934171101051812e-10 1.037410652256307e-09 1.40231503240363e-09 ] [ -1.313251315060878e-10 1.247847901378383e-09 7.168445878429723e-10 ] [ 7.8158654290212e-09 -8.041751986771948e-09 -9.099299596052683e-09 ] [ -1.091679899638482e-10 1.491146914787444e-09 -2.574025577522372e-09 ] [ -2.77397658057492e-11 1.014029928418681e-09 3.056389051496831e-10 ] [ -7.72936663625182e-09 7.978676055085667e-09 7.952564260957724e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.57464739843752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.206866345654826e-20 } }