{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.23298e-10 0.0 0.0 ] "source-value" [ 5.23298 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] "source-value" [ -0.924429 5.53043 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] "source-value" [ -0.629107 -0.473789 5.46851 ] } "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" [ [ 2.295972770523197e-09 2.919470216655552e-10 6.924543268032767e-10 ] [ -2.252278866613154e-08 -2.128392033412285e-08 1.369517856595357e-08 ] [ -1.416819846233675e-09 -6.361600888371859e-09 -8.665918756042155e-09 ] [ 5.216496898959912e-09 7.609807827250205e-09 8.599445729786459e-09 ] [ 1.886898626994058e-09 -5.263436187854813e-09 5.106175022293175e-09 ] [ -2.146491133761515e-09 -1.565843580917132e-09 3.11416992396841e-09 ] [ 1.18681246003173e-08 1.786148249590578e-08 -2.650789298919541e-08 ] [ 4.818606749332266e-09 8.711563646445111e-09 3.966388336650338e-09 ] ] "source-value" [ [ 1.4330335 0.182219 0.432196 ] [ -14.0576191 -13.2843783 8.5478582 ] [ -0.8843094 -3.970599 -5.4088411 ] [ 3.2558813 4.7496685 5.3673519 ] [ 1.1777095 -3.2851785 3.1870238 ] [ -1.3397344 -0.9773227 1.943712 ] [ 7.4075008 11.1482606 -16.5449256 ] [ 3.0075378 5.4373304 2.4756249 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.844306944071196e-18 "source-value" -30.235786 } }