{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0136026 -0.170206 0.3120834 ] [ 0.6629398 -0.5560717 -0.5863462 ] [ -0.1698752 -0.1324904 1.6561893 ] [ -1.1473772 -1.265485 1.4560592 ] [ 1.1240557 1.762265 -0.256995 ] [ -0.6838652 0.3668053 -0.110836 ] [ 0.395286 -0.2952945 -1.2715143 ] [ 0.8324387 0.2904772 -1.1986404 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.623970401881648e-09 -2.72700076166604e-10 5.000127313392756e-10 ] [ 1.062146657308633e-09 -8.909250845686576e-10 -9.394301810746907e-10 ] [ -2.721700761360768e-10 -2.122730231093136e-10 2.653507797940816e-09 ] [ -1.838300940224345e-09 -2.02753049767749e-09 2.332864027960733e-09 ] [ 1.800935777854514e-09 2.82345980591601e-09 -4.117513840548299e-10 ] [ -1.095672844245737e-09 5.876868808873602e-10 -1.77578849406024e-10 ] [ 6.33317992947324e-10 -4.73113948048713e-10 -2.037190501256866e-09 ] [ 1.333713834377336e-09 4.653957825497447e-10 -1.920433641448413e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.226306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.8040941009334e-18 } }