{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43103e-10 0.0 0.0 ] "source-value" [ 5.43103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] "source-value" [ 0.00138287 5.43667 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] "source-value" [ -0.0279747 -0.147199 5.47761 ] } "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" [ [ 2.020760804097222e-09 1.818098759631975e-10 -4.867497970004288e-09 ] [ 1.337879322385563e-09 3.914640915716415e-09 -9.387958716107464e-10 ] [ 1.556259680806831e-09 -2.459623096013261e-10 1.15172850908597e-09 ] [ 1.323166214041432e-09 -5.83256377036032e-11 1.130579457256086e-09 ] [ 1.008017431859424e-09 -1.250095744896607e-09 4.145636171979214e-09 ] [ -5.55630846651888e-10 -3.506373628333511e-09 -2.239908765337515e-09 ] [ -4.385360406907455e-09 1.033022281944926e-09 -2.105670236946125e-10 ] [ -2.305092199631129e-09 -6.871559287182912e-11 1.828825492325892e-09 ] ] "source-value" [ [ 1.2612597 0.1134768 -3.0380533 ] [ 0.8350386 2.4433267 -0.5859503 ] [ 0.9713409 -0.1535176 0.7188524 ] [ 0.8258554 -0.036404 0.7056522 ] [ 0.629155 -0.7802484 2.5875026 ] [ -0.3467975 -2.1885063 -1.3980411 ] [ -2.7371267 0.6447618 -0.1314256 ] [ -1.4387254 -0.0428889 1.1414631 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.73766797063397e-18 "source-value" -35.811707 } }