{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6658208 0.3406744 0.8823328 ] [ -0.3165243 -0.3109771 -2.3799323 ] [ -0.7219595 0.4864565 0.5414709 ] [ -0.5753302 1.6345012 -0.9240445 ] [ 1.1297123 0.1117812 -0.0498358 ] [ 0.3048967 -1.479084 -1.7316058 ] [ -0.0916566 -1.8157774 2.6910456 ] [ -0.3949592 1.0324251 0.9705691 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.066762519402353e-09 5.458205589850676e-10 1.413652983925002e-09 ] [ -5.071278333750854e-10 -4.982402392241836e-10 -3.813071890146772e-09 ] [ -1.156706632064457e-09 7.793892313361952e-10 8.675320168235346e-10 ] [ -9.217805956801883e-10 2.618759609309545e-09 -1.480482494478826e-09 ] [ 1.809998635290196e-09 1.79093225284969e-10 -7.984575363886463e-11 ] [ 4.884983644990714e-10 -2.369753804999347e-09 -2.774338329201681e-09 ] [ -1.468500616620173e-10 -2.90919609885701e-09 4.311530345826708e-09 ] [ -6.327943964098713e-10 1.654127357947102e-09 1.555023120890897e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.469623 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.843077733998996e-18 } }