{ "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" [ [ -6.179773 -7.9446509 -6.3830482 ] [ 8.2695344 1.4903628 3.5522296 ] [ 16.1560339 -14.3926373 18.8712792 ] [ -66.1596281 51.6418356 -34.962362 ] [ -4.3653409 -7.0771203 -8.123997 ] [ 27.5628912 -21.8871861 -11.8013326 ] [ 45.4897856 -19.1517682 58.7373297 ] [ -20.7735032 17.3211644 -19.8900986 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.901087904024082e-09 -1.272873403726707e-08 -1.022677067973576e-08 ] [ 1.324925478973921e-08 2.387824454342815e-09 5.691299263723165e-09 ] [ 2.588482001269189e-08 -2.305954718369685e-08 3.023512258793021e-08 ] [ -1.059994102559498e-07 8.273934233518937e-08 -5.60158794658495e-08 ] [ -6.99404718942453e-09 -1.133879678066707e-08 -1.30160781680861e-08 ] [ 4.416062024612422e-08 -3.506713815342959e-08 -1.890781934178247e-08 ] [ 7.288267157398966e-08 -3.068451550982423e-08 9.410757718889422e-08 ] [ -3.328282143336422e-08 2.775156487535263e-08 -3.186745122487611e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6113351 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.388173348764053e-19 } }