{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.08674e-10 0.0 0.0 ] "source-value" [ 3.08674 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.99324e-12 3.06879e-10 0.0 ] "source-value" [ -0.0199324 3.06879 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.68359e-12 -1.33022e-13 3.06471e-10 ] "source-value" [ -0.0168359 -0.00133022 3.06471 ] } "species" { "source-value" [ "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.327218759586084e-09 3.589148000617536e-10 -2.112725421695818e-09 ] [ -1.327218759586084e-09 -3.589148000617536e-10 2.112725421695818e-09 ] ] "source-value" [ [ 0.8283848 0.224017 -1.3186595 ] [ -0.8283848 -0.224017 1.3186595 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.802e-12 8.40196e-12 -4.8822e-12 ] [ 1.53261e-10 1.60763e-10 1.54457e-10 ] ] "source-value" [ [ 0.04802 0.0840196 -0.048822 ] [ 1.53261 1.60763 1.54457 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.202977316633733e-18 "source-value" 7.5083939 } }