{ "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" [ [ 0.4762617 -0.1077634 -2.7265512 ] [ 0.4426658 0.5308137 1.2821754 ] [ -0.3443387 0.6717317 0.3337112 ] [ -0.1030043 -0.5530699 0.7749315 ] [ -0.9178718 0.3200524 1.2166682 ] [ 0.5210382 0.4691937 0.7299382 ] [ -0.0327233 1.4782276 -1.6133519 ] [ -0.0420278 -2.8091858 0.0024785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.630553611224634e-10 -1.726560000579187e-10 -4.368416588054185e-09 ] [ 7.092287955877286e-10 8.504573001403451e-10 2.054271449644888e-09 ] [ -5.51691414776665e-10 1.076232825190239e-09 5.34664282739113e-10 ] [ -1.650310813018694e-10 -8.861156634481939e-10 1.241577132021475e-09 ] [ -1.470592738851614e-09 5.1278047271093e-10 1.949317345310819e-09 ] [ 8.347952225837146e-10 7.517311767666489e-10 1.169489918668835e-09 ] [ -5.242850621542464e-11 2.368381700941294e-09 -2.58487469530326e-09 ] [ -6.733595858365823e-11 -4.500811812243345e-09 3.9709947546528e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -17.08681824065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.737610070903521e-18 } }