{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4972452 -0.18085 2.0626984 ] [ -1.3605936 -1.891052 1.2994461 ] [ -2.0582648 -2.1735245 -1.7858 ] [ 2.0718475 1.3229652 0.2398567 ] [ 0.6082729 0.1184942 -0.5961174 ] [ -0.0368955 1.304495 -2.0404144 ] [ 0.3105348 1.4233284 1.4560054 ] [ -0.0321465 0.0761437 -0.6356749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.966746342450202e-10 -2.8975364187168e-10 3.304807152241567e-09 ] [ -2.179911256330107e-09 -3.029799303117081e-09 2.081942161409739e-09 ] [ -3.297703741975588e-09 -3.48237013863601e-09 -2.86116700942464e-09 ] [ 3.319465626362928e-09 2.119623913571996e-09 3.842927970822393e-10 ] [ 9.745606194462163e-10 1.898486369403994e-10 -9.550853615320819e-10 ] [ -5.91131075127264e-11 2.090031390950496e-09 -3.26910424842366e-09 ] [ 4.975315965048039e-10 2.280423486200671e-09 2.332777811638552e-09 ] [ -5.150437074054721e-11 1.219956559612089e-10 -1.018463463209378e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.02993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.493224564806606e-17 } }