{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.08428459999999999 -0.7058920999999999 1.6690236999999999 ] [ 0.6709652999999999 -1.5133911999999998 -3.0714639999999997 ] [ -0.31003369999999997 0.5196334999999999 3.0651765999999996 ] [ -1.0493101999999999 0.28396589999999994 -0.6297514999999999 ] [ -0.5598401999999999 -3.0111290999999993 -2.4758413999999997 ] [ 2.2038235999999998 2.9384635999999995 1.6788630999999998 ] [ 0.042432599999999994 -1.3824303999999998 0.6250610999999999 ] [ -0.9137527999999999 2.8707795999999997 -0.8610675999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.350388156134797e-10 -1.130963819427415e-09 2.674070751701113e-09 ] [ 1.075004917028058e-09 -2.424719998764457e-09 -4.921027812428852e-09 ] [ -4.967287458001209e-10 8.325446450844767e-10 4.910954287143232e-09 ] [ -1.681180270406972e-09 4.549635260844307e-10 -1.008973130213731e-09 ] [ -8.96962879823996e-10 -4.824360646230544e-09 -3.96673520788874e-09 ] [ 3.530914648287291e-09 4.707937680991802e-09 2.689835208343812e-09 ] [ 6.798451967975808e-11 -2.214897666763192e-09 1.001458280991531e-09 ] [ -1.463993373350538e-09 4.599495958589575e-09 -1.379582377648366e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.918391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.754760631695313e-18 } }