{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.3080795 -2.5834089 1.4038481 ] [ -1.1627115 -1.6662504 -0.921877 ] [ 0.5889384 0.0624705 -1.3531866 ] [ -1.8001847 1.2729553 2.8453969 ] [ -0.2412886 0.2080389 -1.7608035 ] [ -4.6012016 3.4198991 1.4910345 ] [ 0.157858 -2.8597857 -3.7541514 ] [ 1.7505105 2.1460812 2.0497387 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.504480876247754e-09 -4.139077341546645e-09 2.2492126049745e-09 ] [ -1.862869182035299e-09 -2.669627435278648e-09 -1.477009776653242e-09 ] [ 9.435833355713587e-10 1.000887745896864e-10 -2.168043934099841e-09 ] [ -2.884213839461862e-09 2.03949922098345e-09 4.558828390076795e-09 ] [ -3.865869537855629e-10 3.333150617969491e-10 -2.821118201522813e-09 ] [ -7.371937631107553e-09 5.479282383514961e-09 2.388900616706218e-09 ] [ 2.529163970062464e-10 -4.581881789038163e-09 -6.01481360402359e-09 ] [ 2.804626997564918e-09 3.438401124978409e-09 3.284043423888985e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.140267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.585955844086976e-18 } }