{ "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" [ [ 0.5792414 1.6074228 0.3797998 ] [ -1.3693789 -0.232129 -1.9070362 ] [ 1.9146363 1.9748788 -1.6356022 ] [ -0.8142596 -1.7766002 2.0199261 ] [ -0.0276629 2.1592223 1.31405 ] [ -0.3325848 -3.0785072 1.5018963 ] [ -1.7776694 0.4490974 -0.9582235 ] [ 1.8276781 -1.1033849 -0.7148104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.280470365254475e-10 2.575375251118855e-09 6.085063651578733e-10 ] [ -2.193986876672623e-09 -3.71911659873786e-10 -3.05540883983215e-09 ] [ 3.067585542468214e-09 3.164104668341958e-09 -2.620523627358994e-09 ] [ -1.304587705130186e-09 -2.846427328399726e-09 3.236278399826747e-09 ] [ -4.43208520086786e-11 3.459455516671738e-09 2.1053402059077e-09 ] [ -5.328595953835631e-10 -4.932312303440765e-09 2.406303158551054e-09 ] [ -2.848140375656799e-09 7.195333606701515e-10 -1.535243301849699e-09 ] [ 2.928263146293515e-09 -1.767817505088426e-09 -1.145252520620194e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.075789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.779978618891422e-18 } }