{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0740167 1.4789543 3.4180774 ] [ -0.0219812 0.1089336 -0.3155082 ] [ 0.6577658 -0.1046324 0.3572126 ] [ 3.3528162 -3.1844182 -2.8114126 ] [ -2.8072667 1.9553686 2.9914518 ] [ -0.5059433 0.5924254 0.4851971 ] [ -0.3679788 0.464852 -0.9553336 ] [ 2.7666047 -1.3114833 -3.1696845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.925117688688767e-09 2.369546002691629e-09 5.476363698364851e-09 ] [ -3.521776473712896e-11 1.745308671395789e-10 -5.054998617106906e-10 ] [ 1.053856986721809e-09 -1.676395850581939e-10 5.72317676375182e-10 ] [ 5.371803729479497e-09 -5.102000390890019e-09 -4.504379539142543e-09 ] [ -4.497737075090367e-09 3.132845855966427e-09 4.792834136210077e-09 ] [ -8.106105267104007e-10 9.491701254480883e-10 7.773714500999597e-10 ] [ -5.89567030310039e-10 7.447750065321216e-10 -1.530613158984699e-09 ] [ 4.432589369335398e-09 -2.101227881829632e-09 -5.078394401212137e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.379856038775916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.624342239739647e-18 } }