{ "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" [ [ -2.3824743 -0.2786461 -1.5239826 ] [ 1.8967511 -0.303541 -0.4529852 ] [ -3.9043953 -0.1775741 0.337837 ] [ 2.1893872 2.1871269 0.2218103 ] [ -0.0535304 -1.4385854 0.8204836 ] [ 3.3001478 -2.7004272 -2.9332191 ] [ -2.8523193 0.8408974 0.7055885 ] [ 1.8064332 1.8707495 2.8244675 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.817144623116846e-09 -4.464402668970989e-10 -2.441689292225998e-09 ] [ 3.038930267896683e-09 -4.863262936542528e-10 -7.257622970084121e-10 ] [ -6.255530868021402e-09 -2.845050714796013e-10 5.412745430412096e-10 ] [ 3.507784985718774e-09 3.50416358590278e-09 3.553792769126343e-10 ] [ -8.576515538207231e-11 -2.304867894904217e-09 1.314559641669819e-09 ] [ 5.287419650344554e-09 -4.326561326012406e-09 -4.699535065704017e-09 ] [ -4.569919297516621e-09 1.347266154771506e-09 1.130477398605341e-09 ] [ 2.89422504007693e-09 2.99727111227329e-09 4.525295794709424e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.149531 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.631575680028485e-18 } }