{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.000476000000001 -0.011614200000000007 1.5838312000000005 ] [ -1.2372572000000002 -0.7420733000000002 -0.014402700000000003 ] [ 1.6802026000000005 1.1636268000000003 -1.0257982000000003 ] [ -3.989118800000001 -1.4382447000000003 1.1171257000000003 ] [ 3.446990600000001 2.1433454000000003 -1.3833365000000002 ] [ -2.4426393000000006 0.5099070000000001 -1.9862709000000005 ] [ 0.29109150000000006 -1.1203407000000003 -0.31117170000000005 ] [ -1.7497454000000003 -0.5046063000000001 2.0200231000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.409469119271502e-09 -1.860799970929537e-11 2.53757731993361e-09 ] [ -1.98230455975647e-09 -1.188932492179905e-09 -2.307566921639616e-11 ] [ 2.691981323927375e-09 1.864335654296318e-09 -1.643509893698723e-09 ] [ -6.391272878953753e-09 -2.30432203332951e-09 1.789832679034835e-09 ] [ 5.522687751437366e-09 3.434017890179225e-09 -2.2163493989993e-09 ] [ -3.913539579507279e-09 8.169610741822658e-10 -3.182356798555375e-09 ] [ 4.663799958136032e-10 -1.794983676870707e-09 -4.985520227945914e-10 ] [ -2.803401172232345e-09 -8.084684165683911e-10 3.236433784295941e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.331782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.820993171240227e-18 } }