{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43079e-10 0.0 0.0 ] "source-value" [ 5.43079 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] "source-value" [ -0.0839771 5.43297 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] "source-value" [ 0.0398452 0.0785902 5.46584 ] } "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" [ [ 2.502499905868462e-09 1.094856526230419e-09 -5.539434182130953e-09 ] [ -1.798278713309044e-09 6.981840308345818e-10 1.388453469380073e-09 ] [ -5.47774253156471e-10 -1.101510686171925e-09 -3.224390703290373e-09 ] [ -2.709760838106054e-09 -3.463761658273728e-10 6.60417122984929e-09 ] [ 7.491118102528354e-09 1.434870608914257e-09 -3.42016178610956e-09 ] [ -1.056078404606548e-09 -4.314209505572011e-09 -4.374227362222502e-10 ] [ -1.752476809597248e-10 2.101677933242415e-09 -3.963115250031706e-10 ] [ -3.706478278476637e-09 4.325072583496359e-10 5.025096393744605e-09 ] ] "source-value" [ [ 1.5619376 0.6833557 -3.4574429 ] [ -1.1223973 0.4357722 0.8666045 ] [ -0.3418938 -0.6875089 -2.0125064 ] [ -1.6912997 -0.216191 4.1219995 ] [ 4.6755882 0.8955758 -2.1346971 ] [ -0.6591523 -2.6927178 -0.2730178 ] [ -0.109381 1.3117642 -0.2473582 ] [ -2.3134018 0.2699498 3.1364185 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.72848381359056e-18 "source-value" -35.754384 } }