{ "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" [ 5.46441 0 0 ] "si-unit" "m" "si-value" [ 5.46441e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.239301 5.60761 0 ] "si-unit" "m" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.167861 -0.733416 5.71653 ] "si-unit" "m" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00327702 -0.0382766 0.433443 ] [ 1.09616 1.45225 1.46895 ] [ 0.130178 2.57242 2.88603 ] [ 1.56489 3.87283 4.50025 ] [ 2.74098 -0.214768 2.33093 ] [ 4.21449 1.24218 3.87733 ] [ 2.20243 2.94328 0.228142 ] [ 4.00805 4.02926 1.38377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.27702e-13 -3.82766e-12 4.33443e-11 ] [ 1.09616e-10 1.45225e-10 1.46895e-10 ] [ 1.30178e-11 2.57242e-10 2.88603e-10 ] [ 1.56489e-10 3.87283e-10 4.500250000000001e-10 ] [ 2.74098e-10 -2.14768e-11 2.33093e-10 ] [ 4.21449e-10 1.24218e-10 3.87733e-10 ] [ 2.20243e-10 2.94328e-10 2.28142e-11 ] [ 4.00805e-10 4.02926e-10 1.38377e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3338787 -2.6574143 -1.3764664 ] [ 3.9386111 -1.9485205 -0.1917596 ] [ -1.7008335 6.0057994 1.4742688 ] [ 0.5237612 -0.14644210000000007 -4.1883465 ] [ -4.9849409 5.3609481 6.5297133 ] [ -3.5946462 -2.7482649 2.728382 ] [ 3.5831606 1.8711039 -2.139109 ] [ 5.5687664 -5.7372096 -2.8366826 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.341462509723097e-09 -4.257647063239597e-09 -2.205342285396741e-09 ] [ 6.310350622843371e-09 -3.121873990249527e-09 -3.072327479339597e-10 ] [ -2.725035669573437e-09 9.622351387894666e-09 2.362039004134871e-09 ] [ 8.391579495221531e-10 -2.346261089208558e-10 -6.710470842109507e-09 ] [ -7.98675576604971e-09 8.58918571114218e-09 1.046175398978682e-08 ] [ -5.759258101687561e-09 -4.403205770545251e-09 4.371349853011546e-09 ] [ 5.7408561418917e-09 2.997838923667701e-09 -3.427230429142867e-09 ] [ 8.922147332776583e-09 -9.19202308974932e-09 -4.544866542350158e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.81951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.457176852411181e-18 } }