{ "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" [ [ -2.9219547 0.4001268 -1.7657621 ] [ 1.6027744 0.0062915 -0.3163191 ] [ -4.7865806 -0.5498582 0.6446834 ] [ 3.0546263 2.809189 -1.0027461 ] [ 0.2265502 -3.0234357 1.0903572 ] [ 3.540262 -1.5744609 -2.4710943 ] [ -1.7470111 0.1587633 0.156263 ] [ 1.0313336 1.7733841 3.6646181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.681487545946479e-09 6.410738095971911e-10 -2.829062777822771e-09 ] [ 2.567927693253369e-09 1.0080094292811e-11 -5.067990709079093e-10 ] [ -7.6689475940777e-09 -8.809699600532987e-10 1.032896679807675e-09 ] [ 4.894050883461874e-09 4.500816976289826e-09 -1.606576371254627e-09 ] [ 3.629734368680268e-10 -4.844078032941433e-09 1.746944828553664e-09 ] [ 5.672125054638106e-09 -2.52256446512661e-09 -3.959129547870586e-09 ] [ -2.799020363758637e-09 2.543668495967322e-10 2.50360927358742e-10 ] [ 1.652378595779102e-09 2.841274568127119e-09 5.871365492353475e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.114308 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.625932379667927e-18 } }