{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40836e-10 0.0 0.0 ] "source-value" [ 5.40836 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] "source-value" [ 0.0676972 5.56169 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] "source-value" [ 0.0290382 0.0456166 5.46301 ] } "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" [ [ -3.232450132345983e-09 -6.393082056793959e-10 -1.31888023136313e-09 ] [ 2.387722376019281e-09 4.087487414574547e-10 -9.691141802414687e-10 ] [ -3.816837966511624e-09 -5.674518659778125e-10 4.345900879566758e-10 ] [ 3.116441329763718e-09 2.2128108317146e-09 4.346017838460076e-10 ] [ -8.289278915806829e-10 -1.486910587299137e-09 4.092168974660525e-10 ] [ 3.237854594523266e-09 -1.727024792016881e-09 -2.461792763593148e-09 ] [ -3.268547492047931e-09 2.476377056936966e-10 7.130769033955661e-10 ] [ 2.404745182179957e-09 1.551498011889813e-09 2.758301662751107e-09 ] ] "source-value" [ [ -2.0175367 -0.3990248 -0.8231803 ] [ 1.4902991 0.2551209 -0.6048735 ] [ -2.3822829 -0.3541756 0.2712498 ] [ 1.9451297 1.3811279 0.2712571 ] [ -0.5173761 -0.9280566 0.2554131 ] [ 2.0209099 -1.0779241 -1.5365302 ] [ -2.0400669 0.1545633 0.4450676 ] [ 1.5009239 0.9683689 1.7215965 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.821632279494264e-18 "source-value" -36.335771 } }