{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0220669 -0.1625793 -0.6291798 ] [ -0.7961034 -0.1332988 0.3530136 ] [ 0.2116908 0.2333298 -0.2520252 ] [ -0.1870721 0.9009707 -0.5058731 ] [ -0.2735368 -0.2674444 0.7340631 ] [ -0.3863223 -0.098305 0.5334702 ] [ 0.9666371 -0.0310034 -0.2663025 ] [ 0.4867736 -0.4416696 0.0328337 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.535507127353152e-11 -2.604807534860294e-10 -1.00805716583962e-09 ] [ -1.275498255219391e-09 -2.13568220940695e-10 5.655901367444428e-10 ] [ 3.391660505984486e-10 3.738355504959399e-10 -4.037888832924442e-10 ] [ -2.997225450239597e-10 1.443514191565811e-09 -8.104980539116204e-10 ] [ -4.382542658884455e-10 -4.284931650438836e-10 1.176098737011973e-09 ] [ -6.189565571536839e-10 -1.57501972707744e-10 8.547134823335002e-10 ] [ 1.548723362417912e-09 -4.967292264531072e-11 -4.26663639560592e-10 ] [ 7.798972815426508e-10 -7.076327072380877e-10 5.260538651436096e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 143.98026 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.306818064287054e-17 } }