{ "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" [ [ 0.6275506 0.057433 -3.5305545 ] [ 0.4348329 0.8717993 2.1321034 ] [ -0.5640092 0.6895081 0.4782684 ] [ -0.4795149 -0.2330024 0.259549 ] [ -1.256602 0.4594441 1.6458152 ] [ 0.7249222 0.8018904 0.5586722 ] [ 0.5684859 1.0187802 -1.3826608 ] [ -0.0556656 -3.6658527 -0.161193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.005446899689012e-09 9.201780986240639e-11 -5.656571878360234e-09 ] [ 6.966791063346645e-10 1.396776456489806e-09 3.416006220608191e-09 ] [ -9.036423541561113e-10 1.104713757672228e-09 7.662704489474227e-10 ] [ -7.682675621052499e-10 -3.733109978702899e-10 4.158433397520192e-10 ] [ -2.013298346050522e-09 7.361105955844974e-10 2.636886635597276e-09 ] [ 1.161453400738902e-09 1.28477005132396e-09 8.950915375309017e-10 ] [ 9.108148182344467e-10 1.632265818173948e-09 -2.215266808256625e-09 ] [ -8.918612290280449e-11 -5.873343491236557e-09 -2.582596560366144e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.976272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.603816528114167e-18 } }