{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.577698500000001 -1.8088494000000004 0.055751900000000014 ] [ -1.0652890000000002 -0.4849789000000001 -0.8900843000000003 ] [ 0.11093980000000003 -2.2522203000000003 1.6950684000000005 ] [ -0.8606417000000002 3.1081410000000007 1.4171190000000002 ] [ 0.9509792000000002 -0.8865461000000002 0.9963265000000002 ] [ -1.5086142000000005 1.7883803000000005 -1.2982772000000002 ] [ 0.7372473000000002 -1.4203892000000002 -2.0502951000000005 ] [ -1.9423200000000005 1.9564626000000005 0.07439070000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.73210494019685e-09 -2.89809624310492e-09 8.932439148110461e-11 ] [ -1.706781144257226e-09 -7.770218615630226e-10 -1.426072267750246e-09 ] [ 1.777451553406332e-10 -3.60845473928047e-09 2.715798983511766e-09 ] [ -1.378900021986038e-09 4.979790885377395e-09 2.270474949397446e-09 ] [ 1.523636653660013e-09 -1.420403446383828e-09 1.596291038135001e-09 ] [ -2.417066420960603e-09 2.865301129365911e-09 -2.080069394294945e-09 ] [ 1.181200397539588e-09 -2.275714387425953e-09 -3.284934902024694e-09 ] [ -3.111939719750881e-09 3.134598663014889e-09 1.191870413269038e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.710394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72143588577338e-18 } }