{ "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" [ [ 0.7225916 1.9164257 0.615551 ] [ -1.4573707 -0.5421451 -2.2032915 ] [ 1.2432539 1.4303314 -1.1946909 ] [ -0.294249 -1.729654 2.0501695 ] [ -0.0081296 1.5330314 1.1741388 ] [ 0.2839444 -2.4859186 1.1366472 ] [ -1.8406262 0.6637001 -1.0868782 ] [ 1.3505855 -0.7857709 -0.491646 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.157719367906465e-09 3.070452452040275e-09 9.862214211100607e-10 ] [ -2.33496526337893e-09 -8.686122043012782e-10 -3.530062130107364e-09 ] [ 1.991912332298421e-09 2.291643529076133e-09 -1.914105829062511e-09 ] [ -4.714388684937792e-10 -2.771211200873203e-09 3.284733641577226e-09 ] [ -1.302505505645568e-11 2.456187068032293e-09 1.881177734934167e-09 ] [ 4.549290792870835e-10 -3.982880662131868e-09 1.821109569937782e-09 ] [ -2.949008265271945e-09 1.063364783442622e-09 -1.741370841697186e-09 ] [ 2.163876512491478e-09 -1.258943765284975e-09 -7.877037269098369e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.300528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.815985728429579e-18 } }