{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42446e-10 0.0 0.0 ] "source-value" [ 5.42446 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] "source-value" [ -0.00225581 5.46076 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] "source-value" [ -0.0117255 0.0343157 5.56103 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "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" [ [ -3.051570800564147e-09 -6.64254255882914e-10 3.881825614822176e-10 ] [ -4.927269892543489e-11 2.356468396242011e-09 -4.598459350315918e-09 ] [ -3.405311050793703e-09 1.159173823842827e-09 9.4412647344581e-10 ] [ 6.371552808451959e-09 1.747976936340069e-09 4.324319560484582e-10 ] [ 2.273140952588487e-10 -5.681989288925592e-09 3.961991323132214e-09 ] [ -1.357891149250003e-10 2.000179884097073e-09 2.717806168007401e-09 ] [ -1.330281640632067e-09 -8.632582106875508e-10 -2.970232298967683e-09 ] [ 1.373358241911882e-09 -5.429712480826368e-11 -8.758468328325006e-10 ] ] "source-value" [ [ -1.9046407 -0.4145949 0.2422845 ] [ -0.0307536 1.4707919 -2.8701326 ] [ -2.125428 0.7234994 0.5892774 ] [ 3.9768105 1.0910014 0.2699028 ] [ 0.1418783 -3.5464188 2.4728805 ] [ -0.0847529 1.2484141 1.6963212 ] [ -0.8302965 -0.5388034 -1.8538732 ] [ 0.8571828 -0.0338896 -0.5466606 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.752085317173902e-18 "source-value" -35.901693 } }