{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3992228 0.4480354 -0.2061598 ] [ -0.3941282 0.96623 -0.9513949 ] [ 0.0677842 0.0112922 0.7162958 ] [ 0.1519736 -0.4594447 -0.4610516 ] [ 0.6192559 0.7948427 2.8046275 ] [ -1.246456 0.2098423 -0.788055 ] [ -0.3660687 -1.1031931 -1.115929 ] [ 0.7684165 -0.8676048 0.001667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.396254366503143e-10 7.178318431707762e-10 -3.303044117088039e-10 ] [ -6.314629876379866e-10 1.548071116315584e-09 -1.524302665928354e-09 ] [ 1.086022604996314e-10 1.809209883739776e-11 1.147632384337233e-09 ] [ 2.434885488988109e-10 -7.361115568904698e-10 -7.386860945024333e-10 ] [ 9.921573252724627e-10 1.273478391153548e-09 4.493508610552753e-09 ] [ -1.997042662055885e-09 3.362044271148998e-10 -1.262603296904544e-09 ] [ -5.86506712746649e-10 -1.767510193047876e-09 -1.787915354272723e-09 ] [ 1.231138951336963e-09 -1.39005612665386e-09 2.6708284268736e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -41.656053 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.674035423140571e-18 } }