{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9551044 -1.1619572 3.9969585 ] [ -0.6556564 -0.2517593 0.4164418 ] [ -2.9326328 -3.4422804 -2.0616304 ] [ 2.530437 2.2068012 -0.0781035 ] [ -0.3987989 -0.2845956 -0.1088004 ] [ -0.2742807 1.2507102 -3.8702259 ] [ 0.8520676 0.8066859 2.0876015 ] [ -0.0762402 0.8763951 -0.3822416 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.530245940103211e-09 -1.86166066021023e-09 6.403833463007837e-09 ] [ -1.050477355357893e-09 -4.033628645289735e-10 6.672133158838694e-10 ] [ -4.698595709551243e-09 -5.515141179118072e-09 -3.303096027610553e-09 ] [ 4.05420700180729e-09 3.535685289393385e-09 -1.251356017026528e-10 ] [ -6.389462739807572e-10 -4.559724167025485e-10 -1.743174572136883e-10 ] [ -4.394461250766585e-10 2.003858641836092e-09 -6.200785454194639e-09 ] [ 1.365162788061166e-09 1.292453289309007e-09 3.344706316847011e-09 ] [ -1.221502660051162e-10 1.404139739803678e-09 -6.124185550171853e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.522016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.691254355888354e-18 } }