{ "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" [ [ 0.9848211 0.1172723 -6.298588 ] [ 0.8411736 0.8440334 3.8658068 ] [ -0.6549977 1.1222704 0.2379991 ] [ 0.0492283 -0.8892888 1.3922736 ] [ -2.6055516 1.3235047 2.1891407 ] [ 1.1032975 0.644153 1.1563315 ] [ 0.2456087 3.0736411 -3.1638802 ] [ 0.0364202 -6.2355861 0.6209166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.577857355090177e-09 1.878909388754382e-10 -1.009145052079279e-08 ] [ 1.347708687057662e-09 1.352290591795575e-09 6.193705326518311e-09 ] [ -1.049422010263742e-09 1.798075411909833e-09 3.813165969330293e-10 ] [ 7.88724319915422e-11 -1.424797736237899e-09 2.230668230055062e-09 ] [ -4.174553892201314e-09 2.12048830532918e-09 3.507390078078403e-09 ] [ 1.767677474850615e-09 1.032046885321002e-09 1.852647310458171e-09 ] [ 3.935085202471158e-10 4.924515951722058e-09 -5.069094929215247e-09 ] [ 5.835159344560679e-11 -9.990510348715187e-09 9.948180681827243e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.113451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.625795073130393e-18 } }