{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1277423 0.837725 -2.2576837 ] [ -0.7131705 0.2810482 0.5355634 ] [ -0.3259051 -0.5326271 -1.3838439 ] [ -1.2883853 -0.7126662 3.0515065 ] [ 3.0950826 1.2347261 -1.7244836 ] [ -0.3096142 -1.6242773 -0.1180397 ] [ -0.0997077 0.8716184 -0.0844144 ] [ -1.486042 -0.3555471 1.9813954 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.80684234734722e-09 1.34218340965968e-09 -3.617208041301241e-09 ] [ -1.142625101744246e-09 4.502888553579226e-10 8.580671584361588e-10 ] [ -5.221575318194862e-10 -8.533626872245037e-10 -2.217162343416693e-09 ] [ -2.064220806242394e-09 -1.141817124074377e-09 4.889052372519235e-09 ] [ 4.958868981164879e-09 1.978249290511563e-09 -2.762927306873019e-09 ] [ -4.960566327076953e-10 -2.602379115756148e-09 -1.891204476662457e-10 ] [ -1.597493458537402e-10 1.396486622739103e-09 -1.352467781388595e-10 ] [ -2.380901749926874e-09 -5.696492512132396e-10 3.174545386440664e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.934307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.674481048964978e-18 } }