{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.014814 -0.5481052 -3.7488875 ] [ 0.3473535 0.5815068 1.8545438 ] [ -0.597412 0.948376 0.4274956 ] [ 0.1691415 -1.0456512 2.0269561 ] [ -1.1190124 0.1788857 1.4917769 ] [ 0.8067362 0.7602321 0.7844536 ] [ -0.6575643 2.686173 -2.7969942 ] [ 0.0359434 -3.5614172 -0.0393443 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.625911265260531e-09 -8.78161337178908e-10 -6.00637990650936e-09 ] [ 5.565216568530527e-10 9.316765997962214e-10 2.971306718609591e-09 ] [ -9.571595393853697e-10 1.519465854927821e-09 6.849234558148685e-10 ] [ 2.709945569070432e-10 -1.675317906151465e-09 3.247541674807947e-09 ] [ -1.792855505665298e-09 2.866064863354426e-10 2.3900900726295e-09 ] [ 1.292533878793033e-09 1.218026097001688e-09 1.256833218022395e-09 ] [ -1.053534148132718e-09 4.303723580024199e-09 -4.481278715753199e-09 ] [ 5.758767515206272e-11 -5.706019374754998e-09 -6.303651762174144e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.649168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.711626352057151e-18 } }