{ "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" [ 5.40836 0 0 ] "si-unit" "m" "si-value" [ 5.40836e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0676972 5.56169 0 ] "si-unit" "m" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0290382 0.0456166 5.46301 ] "si-unit" "m" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.865032 -1.55715 -0.1150531 ] [ 0.6820284 -0.426891 -1.0027365 ] [ -0.797624 0.4186437 0.0543344 ] [ 0.1267139 0.7825613 1.2663342 ] [ 1.0790891 0.8084329 0.8496435 ] [ 0.4910726 -2.4842446 -2.1166066 ] [ -1.8168575 0.89385 0.903716 ] [ 1.1006096 1.5647977 0.1603683 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.385934058062288e-09 -2.4948293456331e-09 -1.843353884892654e-10 ] [ 1.092729966204405e-09 -6.83954785464894e-10 -1.606560990358941e-09 ] [ -1.277934535517616e-09 6.707411541113058e-10 8.705330610240958e-11 ] [ 2.030180497830126e-10 1.253801429532664e-09 2.028891066075083e-09 ] [ 1.728891342024089e-09 1.295252302536858e-09 1.361278962929979e-09 ] [ 7.867850453176283e-10 -3.980198651260676e-09 -3.391177637890184e-09 ] [ -2.910926633807655e-09 1.4321055843009e-09 1.447912658971944e-09 ] [ 1.763370984276086e-09 2.507082311876942e-09 2.569383430943022e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.331049 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.218699145650907e-18 } }