{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8761135999999999 6.487724299999999 -0.6372197999999999 ] [ 1.0052815999999998 -6.1554177999999995 -1.5435807999999998 ] [ -1.4759837999999998 5.208192499999999 0.10848069999999999 ] [ -0.5110379999999999 -2.4688960999999994 0.29168679999999997 ] [ -1.5807630999999998 0.5307265999999999 -3.1757317999999994 ] [ -1.2371382999999998 -0.7665544999999999 6.580852899999999 ] [ 5.821356299999999 3.0485731999999994 -3.6948161999999996 ] [ -1.1456010999999997 -5.884348199999999 2.0703281999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.403688727084923e-09 1.039448019565604e-08 -1.020938665870852e-09 ] [ 1.610638676840417e-09 -9.862066490416169e-09 -2.473089070075761e-09 ] [ -2.364786737039543e-09 8.344444260125902e-09 1.738052413480185e-10 ] [ -8.187731359403902e-10 -3.955607610604298e-09 4.673337715559653e-10 ] [ -2.532661681843332e-09 8.503177505566732e-10 -5.088083243891101e-09 ] [ -1.982114060956256e-09 -1.228155698469034e-09 1.054368866130388e-08 ] [ 9.326840965206789e-09 4.884352707837442e-09 -5.919748133793097e-09 ] [ -1.835455299182762e-09 -9.42776511468656e-09 3.317031439422946e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.363464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.544327890570245e-18 } }