{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1003554 -0.9799634 -0.6004729 ] [ 1.6736503 1.0730953 1.2160211 ] [ -0.9851818 1.2548009 -1.3609636 ] [ -0.6279816 0.1102345 -0.0137089 ] [ -0.641179 -0.7131069 -2.4605544 ] [ 1.935532 -0.429471 -0.5085043 ] [ -0.8113008 0.6407984 2.6489412 ] [ 0.5568162 -0.9563877 1.0792417 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.762963710975723e-09 -1.570074461655195e-09 -9.620636497302186e-10 ] [ 2.68148340414709e-09 1.71928821571522e-09 1.948280592870977e-09 ] [ -1.578435260202061e-09 2.01041268230217e-09 -2.180504079644522e-09 ] [ -1.006137446101934e-09 1.76615140160673e-10 -2.19640792578426e-11 ] [ -1.027282012011486e-09 -1.142523212724175e-09 -3.942242766365889e-09 ] [ 3.101064144759288e-09 -6.880884011806139e-10 -8.147137077485262e-10 ] [ -1.299847184905507e-09 1.026672223584585e-09 4.24407169547992e-09 ] [ 8.921179050726707e-10 -1.532302025985002e-09 1.729135834178438e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.67124407419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.112986742137844e-18 } }