{ "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" [ [ -2.2067393 0.1910709 -2.9012968 ] [ 1.8584391 -0.7843199 0.031713 ] [ 7.0139451 -0.0573442 6.0008266 ] [ -13.4717185 11.4523672 -11.4787455 ] [ -1.9743057 -9.8493981 -3.8603279 ] [ 8.3680755 -7.7661198 -1.8410607 ] [ 10.0366947 0.4984056 17.7184752 ] [ -9.6243909 6.3153383 -3.669584 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.535586114660558e-09 3.061293288952147e-10 -4.648389902961853e-09 ] [ 2.977547677200594e-09 -1.256619007008194e-09 5.08098271754304e-11 ] [ 1.123757885879472e-08 -9.187553657847936e-11 9.614384083994754e-09 ] [ -2.158407242269884e-08 1.834871498065676e-08 -1.839097767621321e-08 ] [ -3.163186434852178e-09 -1.578047536477194e-08 -6.184927110001961e-09 ] [ 1.340713492718927e-08 -1.244269557789197e-08 -2.949704411013683e-09 ] [ 1.608055759844727e-08 7.985337999957965e-10 2.838812672166461e-08 ] [ -1.541997408942027e-08 1.011828737670282e-08 -5.879321692861747e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.0123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764364960123584e-18 } }