{ "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" [ [ 3.7890112 0.2663904 -0.9979815999999999 ] [ -0.4224626 -0.9444911 0.25446219999999997 ] [ 0.4284491 0.0520492 1.6285240999999997 ] [ -2.6272126 -1.9873194 2.5821645999999996 ] [ 1.1896769 2.6726417 -0.6783142999999999 ] [ -1.2124323 0.8964338 -1.6797975999999997 ] [ -0.7559169 -0.6662664 -2.4365534999999996 ] [ -0.3891127 -0.2894382 1.3274960999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.070665160589353e-09 4.268044708855604e-10 -1.598942787508577e-09 ] [ -6.768597008823822e-10 -1.513241558973675e-09 4.076933877173337e-10 ] [ 6.864511312228013e-10 8.339201137134335e-11 2.609183239429361e-09 ] [ -4.209258605591182e-09 -3.184036680742284e-09 4.137083753177383e-09 ] [ 1.90607251548582e-09 4.282044047515167e-09 -1.086779313014317e-09 ] [ -1.942530685362772e-09 1.436245276454903e-09 -2.691332442395949e-09 ] [ -1.211112384447611e-09 -1.067476449304581e-09 -3.903789053028412e-09 ] [ -6.234272707963641e-10 -4.637311172064345e-10 2.126883215623179e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.496249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.687126027389538e-18 } }