{ "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" [ [ -11.5184951 9.696636 8.4097709 ] [ 5.8466753 -3.265628 -5.1913173 ] [ 27.712598 37.7899113 -28.4417154 ] [ 7.2115793 -11.2665821 -8.4485188 ] [ 0.669344 5.4251484 2.5714857 ] [ -31.6411185 -34.9170036 28.8529513 ] [ -21.6871043 -17.1990306 -16.4916054 ] [ 23.4065213 13.7365487 18.738949 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.845466355601936e-08 1.553572349960763e-08 1.347393832226417e-08 ] [ 9.367406475068825e-09 -5.232112833829862e-09 -8.317407209214579e-09 ] [ 4.440047661722883e-08 6.054611238696573e-08 -4.556865146932732e-08 ] [ 1.155422375350523e-08 -1.805105443694377e-08 -1.353601930174927e-08 ] [ 1.072407308072755e-09 8.692045930850529e-09 4.119974269261523e-09 ] [ -5.069466031666236e-08 -5.594320683630944e-08 4.622752401394097e-08 ] [ -3.474657148231115e-08 -2.75558847277438e-08 -2.642246461133903e-08 ] [ 3.750138120111723e-08 2.200837717762063e-08 3.002310598616354e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -27.152171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.350257358016376e-18 } }