{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7048974 1.3360799 0.0206347 ] [ -1.678234 -0.0508274 -1.5068237 ] [ 1.2250399 0.7675355 -0.7465212 ] [ -0.1164476 -1.2075437 1.3333536 ] [ 0.6950782 1.0730465 0.7577199 ] [ -0.7338234 -1.8496223 1.1713256 ] [ -2.1529347 0.1380415 -0.4201964 ] [ 2.0564242 -0.2067099 -0.6094924 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.129370134342706e-09 2.140635979300802e-09 3.306043391722176e-11 ] [ -2.688827279031667e-09 -8.143447197604992e-11 -2.414197703807353e-09 ] [ 1.96273028732717e-09 1.229727433734038e-09 -1.196058813571561e-09 ] [ -1.865696222682701e-10 -1.934698284734329e-09 2.136267965179515e-09 ] [ 1.113638041667747e-09 1.719210015331267e-09 1.214001108894914e-09 ] [ -1.175714695275967e-09 -2.963421606370324e-09 1.876670491664533e-09 ] [ -3.449381642449062e-09 2.211668640001632e-10 -6.732288482243251e-10 ] [ 3.294754775687344e-09 -3.311857690679059e-10 -9.76514473835282e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -220.01035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.524954391040253e-17 } }