{ "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" [ [ 0.3497777 -0.8332919 3.5272272 ] [ -0.6529147 -0.2787352 0.1318402 ] [ -2.0200865 -2.4822873 -1.0281578 ] [ 1.6014312 1.6672386 -0.4997622 ] [ -0.2313355 -0.2812416 -0.1062221 ] [ 0.1987923 0.7868091 -3.139961 ] [ 0.9399956 0.6275148 1.6261685 ] [ -0.1856601 0.7939935 -0.5111328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.604056580342619e-10 -1.335080811481464e-09 5.651241002649244e-09 ] [ -1.04608467633512e-09 -4.465830245133168e-10 2.112312878618868e-10 ] [ -3.236535388958841e-09 -3.977062710934948e-09 -1.647290403224845e-09 ] [ 2.56577564959858e-09 2.671210728222872e-09 -8.007073193964346e-10 ] [ -3.706403327147069e-10 -4.505987200287743e-10 -1.701865666344114e-10 ] [ 3.185003780791182e-10 1.260607155438569e-09 -5.030772145871274e-09 ] [ 1.50603898638281e-09 1.005389550049183e-09 2.605409173646829e-09 ] [ -2.974602740861034e-10 1.272117833247879e-09 -8.189250290309951e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.550674292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.535628304007311e-18 } }