{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5899721 -0.4482291 -1.6684143 ] [ -2.3220613 -0.3746258 1.9555046 ] [ 0.6775215 0.5337499 -1.8360241 ] [ -1.8833004 2.1232426 -0.9960489 ] [ 0.1913524 -0.7643855 1.7446306 ] [ -0.8309261 -0.3198678 1.9708528 ] [ 3.3789146 -0.0084285 -1.5924612 ] [ 0.1985271 -0.7414559 0.4219604 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.452395055442798e-10 -7.181421847822253e-10 -2.673094385268398e-09 ] [ -3.720352326924455e-09 -6.002166983084967e-10 3.133063751986856e-09 ] [ 1.085509107389347e-09 8.551616111343379e-10 -2.941634888245361e-09 ] [ -3.017379870823289e-09 3.401809654006607e-09 -1.595846260753557e-09 ] [ 3.065803416139699e-10 -1.224680577378519e-09 2.795206359252277e-09 ] [ -1.331290371032523e-09 -5.124847109067302e-10 3.157654279198218e-09 ] [ 5.413617975799784e-09 -1.35039456484128e-11 -2.551404104171113e-09 ] [ 3.180754782152237e-10 -1.187943308334223e-09 6.760550877834164e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.314807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.658055814346419e-18 } }