{ "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" [ [ -13.1306384 9.5400408 14.4085972 ] [ -0.3135782 -0.0569936 -1.0432125 ] [ 1.9392329 -0.4932709 1.1599145 ] [ 14.0823548 -13.5300508 -13.3966841 ] [ -11.4520847 9.7049205 12.7653696 ] [ -1.339182 1.3377475 0.8323682 ] [ -0.9942261 0.8898175 -2.3870244 ] [ 11.2081217 -7.392211 -12.3393284 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.103760203398314e-08 1.528483045716666e-08 2.308511776255782e-08 ] [ -5.024076649717786e-10 -9.131381420754238e-11 -1.671410691796725e-09 ] [ 3.106993640264058e-09 -7.903071102121505e-10 1.858387909337793e-09 ] [ 2.256241981225774e-08 -2.1677531248593e-08 -2.146385423809932e-08 ] [ -1.83482625169289e-08 1.55489968599276e-08 2.045237689749392e-08 ] [ -2.145606109073388e-09 2.143307786691915e-09 1.333600880924639e-09 ] [ -1.592925826332947e-09 1.425644807024295e-09 -3.82443471846787e-09 ] [ 1.795739069876835e-08 -1.184362773779777e-08 -1.97697836417326e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -30.986589 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.964598886316142e-18 } }