{ "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" [ [ 0.4032262 1.2489333 0.1878493 ] [ -1.1638324 -0.068859 -1.3504906 ] [ 1.5655795 1.6570451 -1.3697455 ] [ -0.5477606 -1.496467 1.4282219 ] [ 0.2531416 1.7859486 1.0645343 ] [ -0.710076 -2.5349419 1.1937674 ] [ -1.578189 0.3128754 -0.6254708 ] [ 1.7779106 -0.9045346 -0.528666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.46039590534025e-10 2.001011734198593e-09 3.009677566936455e-10 ] [ -1.864665061809554e-09 -1.103242799316672e-10 -2.163724465930165e-09 ] [ 2.508334872903753e-09 2.654878918831198e-09 -2.194574216546006e-09 ] [ -8.776092271153806e-10 -2.397604441198714e-09 2.288263737494556e-09 ] [ 4.055775532719054e-10 2.861405092870491e-09 1.705571967499693e-09 ] [ -1.137667166191181e-09 -4.061424647266332e-09 1.912626218953202e-09 ] [ -2.528537519003731e-09 5.012816511034483e-10 -1.002114692753073e-09 ] [ 2.848526797192501e-09 -1.44922418882468e-09 -8.470163054118527e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.29074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.81441751795314e-18 } }