{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.21228609999999998 1.1609883999999997 -1.0098536999999996 ] [ 0.22801759999999996 1.7912718999999997 -0.15860319999999992 ] [ 0.26135749999999996 -0.8092533999999999 -0.6658857999999996 ] [ -0.29063919999999993 -0.5430180999999998 -0.1842535999999999 ] [ -3.8488658999999994 4.473747399999999 4.680159299999998 ] [ 0.08852629999999999 -0.8768316999999999 1.1733253999999995 ] [ -0.11970369999999998 -0.8331987999999999 0.2102954999999999 ] [ 3.8935934999999997 -4.363705699999999 -4.045183899999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.401198263408109e-10 1.860108471499998e-09 -1.617963988568376e-09 ] [ 3.65324467850926e-10 2.869933959675995e-09 -2.541103390240664e-10 ] [ 4.18740876170736e-10 -1.29656687778291e-09 -1.066866660882704e-09 ] [ -4.656553313280153e-10 -8.700109044912362e-10 -2.952068102182347e-10 ] [ -6.16656296157435e-09 7.167733491644784e-09 7.49844181207969e-09 ] [ 1.41834768185927e-10 -1.404839250116319e-09 1.879874524470808e-09 ] [ -1.917864695632569e-10 -1.334931637838615e-09 3.369305335594462e-10 ] [ 6.238224476598844e-09 -6.991427252591697e-09 -6.481099071416562e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.011794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.609507779906572e-18 } }