{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "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 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.02076082074585e-09 1.818098774610912e-10 -4.867498010106592e-09 ] [ 1.337879333408072e-09 3.914640947968327e-09 -9.387958793452902e-10 ] [ 1.55625969362853e-09 -2.459623116277584e-10 1.151728518574821e-09 ] [ 1.323166224942723e-09 -5.8325638184136e-11 1.130579466570695e-09 ] [ 1.00801744016427e-09 -1.250095755195885e-09 4.145636206134248e-09 ] [ -5.55630851229615e-10 -3.506373657221793e-09 -2.239908783791657e-09 ] [ -4.385360443037527e-09 1.033022290455781e-09 -2.105670254294304e-10 ] [ -2.305092218622303e-09 -6.871559343796259e-11 1.828825507393205e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.811707 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.737668017905423e-18 } }