{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1210246 -0.2024139 -4.570413 ] [ 0.8263685 0.8603161 2.6788519 ] [ -0.512513 1.4189257 0.8638862 ] [ -0.0898539 -1.3404258 1.2782498 ] [ -1.3654957 0.1738217 2.3687309 ] [ 0.9926004 1.0436635 1.0366672 ] [ -0.9872277 2.7816259 -3.437137 ] [ 0.0150969 -4.7355133 -0.2188359 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.796079405461672e-09 -3.243028183049491e-10 -7.322608856000391e-09 ] [ 1.323988290865565e-09 1.378378341917835e-09 4.29199388476566e-09 ] [ -8.211363464560705e-10 2.273369583192275e-09 1.384098272671753e-09 ] [ -1.439618178677011e-10 -2.147598878677137e-09 2.047981945102276e-09 ] [ -2.187765286342931e-09 2.784930639277113e-10 3.795125268946543e-09 ] [ 1.590321154676729e-09 1.672133259682301e-09 1.660923951390198e-09 ] [ -1.581713140346156e-09 4.456655984791759e-09 -5.50690054388665e-09 ] [ 2.418790022655552e-11 -7.587128696747458e-09 -3.506137627717268e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.073394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.6193771878907e-18 } }