{ "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" [ [ 0.6746746 0.4138809 0.5975524 ] [ 0.0591698 -0.1205495 -2.1523179 ] [ -0.8227957 0.4381054 0.3996416 ] [ -0.7538357 1.3335048 -0.762203 ] [ 1.1447717 -0.1628159 0.0864429 ] [ 0.3147453 -1.1283919 -1.3726326 ] [ -0.3352727 -1.4978939 2.2549544 ] [ -0.2814573 0.7241601 0.9485623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.080947870767592e-09 6.631103017756627e-10 9.5738448498293e-10 ] [ 9.480047021741185e-11 -1.931415905491296e-10 -3.448393419909352e-09 ] [ -1.318264034234771e-09 7.019222293262322e-10 6.402964282191052e-10 ] [ -1.207777934464403e-09 2.13651021428458e-09 -1.221183826903622e-09 ] [ 1.834126453893471e-09 -2.608598284745108e-10 1.384967934141523e-10 ] [ 5.042775611666822e-10 -1.807883121280092e-09 -2.199199860667918e-09 ] [ -5.371660815324921e-10 -2.399890587018933e-09 3.612835220650091e-09 ] [ -4.509443058134919e-10 1.16023238193619e-09 1.519764340432276e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.657202 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.8731312028343e-18 } }