{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.7926805 0.1113486 -1.2354678999999997 ] [ -0.5434338 -1.3106933 0.4271846999999999 ] [ 0.5308903 0.3429476 1.9290325999999998 ] [ -3.3497292 -2.456957 3.3209485999999995 ] [ 1.6330456 3.3596815 -0.9804586999999999 ] [ -1.6756339 0.9183267 -2.0077436999999994 ] [ -0.6668975 -0.5394728 -3.0131342999999995 ] [ -0.720922 -0.4251814 1.5596387999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.678720648064055e-09 1.784001236788109e-10 -1.979437785128872e-09 ] [ -8.706769293125031e-10 -2.099962162299201e-09 6.844253391034616e-10 ] [ 8.505800268694984e-10 5.494626268794701e-10 3.090650932481038e-09 ] [ -5.366857810251088e-09 -3.936479063710906e-09 5.32074620579849e-09 ] [ 2.616427481020308e-09 5.382803152634275e-09 -1.570868006799961e-09 ] [ -2.684661459599925e-09 1.471321568996415e-09 -3.216760016698488e-09 ] [ -1.068487582969968e-09 -8.643307077175142e-10 -4.827573330790572e-09 ] [ -1.155044373820378e-09 -6.812156986790131e-10 2.498816822252567e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.351113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.663872676785895e-18 } }