{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] "source-value" [ 5.41394 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] "source-value" [ 0.0321649 5.43167 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] "source-value" [ -0.034689 -0.0250046 5.52467 ] } "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" [ [ 5.163951433851168e-10 7.082078886449549e-10 4.364361158591616e-10 ] [ 7.199270095377965e-10 -2.561252363423846e-10 -1.348593237666515e-09 ] [ -9.379228455700722e-10 -2.49867454896864e-11 -3.166179781432819e-10 ] [ -9.645913958586124e-10 1.063194311850169e-09 -4.664620272565881e-10 ] [ 1.046987974895453e-09 -4.040271269559572e-10 -9.300250761355009e-11 ] [ 2.821285628979686e-10 -8.467383277681441e-10 -5.696005450439674e-10 ] [ -7.082240706288251e-10 -8.16158864348231e-10 1.480344066418788e-09 ] [ 4.529962134117505e-11 5.766341004092794e-10 8.774964338812761e-10 ] ] "source-value" [ [ 0.3223085 0.4420286 0.272402 ] [ 0.4493431 -0.1598608 -0.8417257 ] [ -0.5854054 -0.0155955 -0.1976174 ] [ -0.6020506 0.6635937 -0.2911427 ] [ 0.6534785 -0.2521739 -0.0580476 ] [ 0.1760908 -0.5284925 -0.3555167 ] [ -0.4420387 -0.5094063 0.9239581 ] [ 0.0282738 0.3599067 0.5476902 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.031305725935167e-16 "source-value" 643.69041 } }