{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.4737e-10 0.0 0.0 ] "source-value" [ 5.4737 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] "source-value" [ -0.00330015 5.48579 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] "source-value" [ 0.0734366 -0.160082 5.49307 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.722169555985209e-09 2.790676044639303e-10 1.261592003021495e-09 ] [ -8.009711912890195e-10 5.185154639250835e-10 -8.976785721205076e-10 ] [ -1.233317591105927e-09 -1.32606999894897e-09 -2.943468739605529e-09 ] [ -6.943788613601818e-10 4.173717681829637e-09 -3.345651921488607e-09 ] [ -7.921691533696686e-10 -1.881229164803695e-09 -7.8478616328336e-10 ] [ 4.391784013633229e-10 4.819055679221415e-10 1.353965496093719e-09 ] [ 1.049356793029306e-10 -3.949704551062623e-09 2.378481181488169e-09 ] [ 1.254553160473334e-09 1.703797396674495e-09 2.977546555676959e-09 ] ] "source-value" [ [ 1.0748937 0.1741803 0.7874238 ] [ -0.4999269 0.3236319 -0.5602869 ] [ -0.7697763 -0.8276678 -1.8371687 ] [ -0.4333972 2.6050297 -2.0881917 ] [ -0.4944331 -1.1741709 -0.489825 ] [ 0.2741136 0.3007818 0.8450788 ] [ 0.0654957 -2.4652117 1.4845312 ] [ 0.7830305 1.0634267 1.8584384 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.789607652762389e-18 "source-value" -36.135889 } }