{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.41643e-10 0.0 0.0 ] "source-value" [ 5.41643 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] "source-value" [ 0.0584288 5.39313 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] "source-value" [ -0.0447548 0.203328 5.3475 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.138963855795693e-08 -1.177155805081078e-08 4.511887018352287e-09 ] [ -4.984509895368837e-09 9.547656792309337e-09 -2.634355356754074e-09 ] [ -6.921905764879607e-09 -7.633847686357e-09 -3.981223691070635e-09 ] [ -4.064461252615734e-09 1.597292721828581e-08 -1.639024119595807e-09 ] [ -2.990594842294416e-09 -4.367104725837074e-09 4.388642625932826e-09 ] [ -1.34026624511523e-09 1.183800384006392e-08 -9.596074730007576e-09 ] [ 3.778100219738598e-09 -6.592333868321832e-09 8.157447177135204e-09 ] [ 5.133999222578298e-09 -6.99374351933239e-09 7.927010760077741e-10 ] ] "source-value" [ [ 7.1088533 -7.3472287 2.8160984 ] [ -3.1110864 5.9591787 -1.6442353 ] [ -4.3203138 -4.764673 -2.4848844 ] [ -2.5368372 9.9695171 -1.0229984 ] [ -1.8665825 -2.7257324 2.7391753 ] [ -0.8365284 7.3887009 -5.9893988 ] [ 2.3581047 -4.1146112 5.0914781 ] [ 3.2043903 -4.3651514 0.4947651 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.664353550495961e-18 "source-value" -16.629587 } }