{ "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" [ [ 3.2333695 0.1845702 -0.9113693999999999 ] [ -0.3830972 -0.7857296 0.35050269999999994 ] [ 0.3132487 0.178194 1.4090190999999999 ] [ -2.3018836 -1.8449902 2.2813177999999996 ] [ 0.9910645 2.2589719 -0.6488920999999999 ] [ -1.0148813 0.6523308 -1.4424038999999997 ] [ -0.4434386 -0.3881575 -2.1078732999999996 ] [ -0.394382 -0.2551896 1.0696991999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.180429061988263e-09 2.957140617727068e-10 -1.460174757622599e-09 ] [ -6.137893823908248e-10 -1.258877605762166e-09 5.615672360939117e-10 ] [ 5.018797477708757e-10 2.85498263118996e-10 2.257497478879709e-09 ] [ -3.688024118107802e-09 -2.956000188398986e-09 3.655074073888284e-09 ] [ 1.587860384686893e-09 3.619271995042584e-09 -1.039639760607191e-09 ] [ -1.626019105143544e-09 1.045149165398527e-09 -2.310985825370472e-09 ] [ -7.104669635336724e-10 -6.218968768118549e-10 -3.377185348692471e-09 ] [ -6.318696252701879e-10 -4.088588143598064e-10 1.713847063648492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.630462 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708629367502491e-18 } }