{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3052939 0.1979432 0.3268976 ] [ 0.3710283 -0.0262883 -0.344741 ] [ 0.4351213 0.4577801 -0.5701017 ] [ 0.210546 0.0567512 -0.2343383 ] [ 0.039923 0.3153575 0.0789361 ] [ -0.7777737 -0.9166241 0.2314076 ] [ -0.5970248 -0.6180646 -0.0398205 ] [ 0.6234738 0.533145 0.5517603 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.891347490528531e-10 3.171399672863386e-10 5.237476921156301e-10 ] [ 5.944528679151686e-10 -4.211849966057664e-11 -5.523359704312128e-10 ] [ 6.97141174072103e-10 7.334445736874861e-10 -9.134036152183354e-10 ] [ 3.373318788029569e-10 9.092544584234497e-11 -3.754513456180167e-10 ] [ 6.39636972321984e-11 5.05258413693936e-10 1.264695739571309e-10 ] [ -1.246130838413113e-09 -1.468593703081841e-09 3.707558465954381e-10 ] [ -9.565391765977958e-10 -9.902486522641037e-10 -6.37994741285664e-11 ] [ 9.98915146041335e-10 8.54192454496416e-10 8.840174529455942e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 151.58871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.428718871392312e-17 } }