{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.759571 -4.6085803 -8.8998276 ] [ 11.1733764 0.6986369 4.3490759 ] [ 29.6397612 -27.0422976 34.8714792 ] [ -291.6879016 210.5670495 -170.7674953 ] [ -13.2120666 -23.0749062 -9.9819545 ] [ 85.2942684 -87.3090027 -71.9466875 ] [ 221.3608362 -99.8195483 251.9235988 ] [ -35.808703 30.5886486 -29.548189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.083002662283768e-08 -7.383759611739449e-09 -1.425909570987057e-08 ] [ 1.790172244347847e-08 1.119339707608188e-09 6.967987729064719e-09 ] [ 4.748813244073495e-08 -4.332653698743595e-08 5.587026870695349e-08 ] [ -4.673355365137309e-07 3.373656038197364e-07 -2.735996885622339e-07 ] [ -2.116806421897254e-08 -3.697007524079297e-08 -1.599285412978935e-08 ] [ 1.366564827187202e-07 -1.398844429113041e-07 -1.152713006565036e-07 ] [ 3.546591565203783e-07 -1.599285465850764e-07 4.03626100225159e-07 ] [ -5.737186676777083e-08 4.900841764878665e-08 -4.734141760277973e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.81987511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.313584733217828e-19 } }