{ "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" [ [ 0.6124324 -0.1130371 -3.1068902 ] [ 0.5181523 0.6453901 1.7541279 ] [ -0.3594009 0.615834 0.4079046 ] [ -0.1342792 -0.4714709 0.6660604 ] [ -1.0973662 0.3430658 1.5222839 ] [ 0.6284851 0.6290558 0.6686695 ] [ -0.1050019 1.5916713 -1.8431312 ] [ -0.0630215 -3.240509 -0.0690248 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.812248731004339e-10 -1.811053989030317e-10 -4.977786841832636e-09 ] [ 8.30171501073748e-10 1.034028929515774e-09 2.810422711273001e-09 ] [ -5.758237194744788e-10 9.866748370937472e-10 6.535352136367757e-10 ] [ -2.151389948997273e-10 -7.553796533675348e-10 1.067146400920696e-09 ] [ -1.758174470096137e-09 5.496520041560486e-10 2.438967674800245e-09 ] [ 1.00694413374115e-09 1.007858495938641e-09 1.071326639942026e-09 ] [ -1.682315893195795e-10 2.550138544858343e-09 -2.953021717707049e-09 ] [ -1.009715739077472e-10 -5.191867759291987e-09 -1.105899208153958e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.856722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.744880168692502e-18 } }