{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2437483 0.9580705 -0.11215239999999997 ] [ -0.7327173 0.2668313 -1.7316725999999996 ] [ -1.5065693 0.46357 -0.6948639999999999 ] [ 1.8581347 0.3509724 0.08447979999999998 ] [ -0.8192878 -2.1981119 0.7516528999999997 ] [ 0.7017181 1.176616 3.436983199999999 ] [ -0.2128191 -2.4638087 -3.461359399999999 ] [ 2.955289 1.4458604 1.7269325999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.594881069219744e-09 1.534998156178167e-09 -1.796879532466099e-10 ] [ -1.1739425277157e-09 4.27510870557671e-10 -2.77444535459995e-09 ] [ -2.413790110075022e-09 7.42721016104256e-10 -1.113294855435571e-09 ] [ 2.977059974637222e-09 5.623197738260659e-10 1.353515604898598e-10 ] [ -1.312643758866666e-09 -3.521763496082267e-09 1.20428070333652e-09 ] [ 1.124276334212197e-09 1.885146646859213e-09 5.506654129122369e-09 ] [ -3.409737864796973e-10 -3.947456697263641e-09 -5.545709106866314e-09 ] [ 4.734894943507412e-09 2.316523729820536e-09 2.766851037417358e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.875676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.747916934259566e-18 } }