{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "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" [ [ 5.50174784774356e-08 -5.686981206644784e-08 3.207528915880088e-08 ] [ 6.006067482068304e-09 3.819426282842527e-09 1.811035435825048e-08 ] [ 2.853487937098808e-09 4.202805999468572e-09 -1.653574607012926e-09 ] [ -9.988440093993715e-09 6.469217810249699e-09 -6.755436890278232e-09 ] [ 3.484623279617841e-09 7.954076329732915e-10 -1.460378382241027e-09 ] [ -6.576675251466704e-08 4.666018267798127e-08 -4.524027111152243e-08 ] [ 1.505026638677016e-08 -1.960855740680834e-09 1.74625235342544e-10 ] [ -6.65673111454762e-09 -3.116372596386685e-09 4.74939223866072e-09 ] ] "source-value" [ [ 34.3392094 -35.4953451 20.019821 ] [ 3.7486925 2.3838984 11.3035942 ] [ 1.7810071 2.6231852 -1.0320801 ] [ -6.234294 4.0377682 -4.2164121 ] [ 2.1749308 0.4964544 -0.9114965 ] [ -41.0483786 29.1229956 -28.2367565 ] [ 9.3936375 -1.2238699 0.1089925 ] [ -4.1548048 -1.9450868 2.9643375 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.511009245155806e-18 "source-value" -59.363051 } }