{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 16.9999156 15.4831571 -22.4320183 ] [ -4.5828266 2.6321461 3.3574094 ] [ -2.8303519 -4.0046675 -12.2648771 ] [ -22.9216906 -24.3871755 40.4471708 ] [ 35.2443195 28.7393096 -27.5859293 ] [ 1.6095733 -12.0832533 -2.4642713 ] [ -5.4268916 9.5243741 0.7106397 ] [ -18.0920476 -15.9038906 20.2318762 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.723686732989321e-08 2.480675232179353e-08 -3.594005527761776e-08 ] [ -7.342497635700354e-09 4.217162943949899e-09 5.379162847134155e-09 ] [ -4.53472364281686e-09 -6.416184642577585e-09 -1.96504993466053e-08 ] [ -3.672459678853112e-08 -3.907256243344655e-08 6.480351143326444e-08 ] [ 5.646762471890555e-08 4.6045449939053e-08 -4.419753098750171e-08 ] [ 2.578820710723905e-09 -1.935950594046445e-08 -3.948197864168423e-09 ] [ -8.694838845135905e-09 1.525972951077304e-08 1.138570313152326e-09 ] [ -2.898665568712075e-08 -2.548084169908089e-08 3.241503904255994e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -26.946305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.317273988794614e-18 } }