{ "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" [ [ 0.5483024 -1.3595843 5.8874046 ] [ -0.6941424 -0.0503474 0.1123301 ] [ -2.900291 -3.5243537 -1.6330377 ] [ 2.3475804 2.4767601 -1.1561117 ] [ -0.4235395 -0.3979696 -0.2665214 ] [ 0.0236554 0.8935805 -5.2802179 ] [ 1.464675 0.6998317 2.73249 ] [ -0.3662405 1.2620828 -0.396336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.784772864085299e-10 -2.178294179466734e-09 9.432662007310376e-09 ] [ -1.112138724786002e-09 -8.066542719806592e-11 1.799726600321261e-10 ] [ -4.646778433716653e-09 -5.646637101569977e-09 -2.616414823825004e-09 ] [ 3.761238432328312e-09 3.96820712755027e-09 -1.852295136773344e-09 ] [ -6.785850848853216e-10 -6.376175889091277e-10 -4.270143560228852e-10 ] [ 3.790012883567232e-11 1.431673785902774e-09 -8.459841672109674e-09 ] [ 2.34666804207024e-09 1.121253988234719e-09 4.377931594569792e-09 ] [ -5.867819666901024e-10 2.022079555673802e-09 -6.350002731813888e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.856395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.264174791277002e-18 } }